THE ISIS PULSED NEUTRON AND MUON SOURCE - CORE

ISIS

Science and Technology Facilities Council, Rutherford Appleton Laboratory, Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0QX, UK

T: +44 (0)1235 445592 F: +44 (0)1235 445103 E: [email protected]

www.stfc.ac.uk

Head office: Polaris House, North Star Avenue, Swindon SN2 1SZ, United Kingdom.

Establishments at: Rutherford Appleton Laboratory, Oxfordshire; Daresbury Laboratory, Cheshire;UK Astronomy Technology Centre, Edinburgh; Chilbolton Observatory, Hampshire; Isaac Newton Group,La Palma; Joint Astronomy Centre, Hawaii.

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ISIS 2010THE ISIS PULSED NEUTRON AND MUON SOURCE

ISIS 2010 was produced for the ISIS Facility, STFC Rutherford Appleton Laboratory, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 0QX, UK

ISIS Director, Dr Andrew Taylor01235 446681

ISIS User Office01235 445592

ISIS Facility Web pageshttp://www.isis.stfc.ac.uk

ISIS 2010 production team: David Clements, Felix Fernandez-Alonso, Tatiana Guidi, Philip King, Stewart Parker and Rob Washington

Design and layout: Ampersand Design Ltd, Ardington (01235 861444)

Printed by: ESP Colour Limited and STFC Photographic and Reprographic Services

September 2010

© Science and Technology Facilities Council 2010

Enquiries about copyright, reproduction and requests for additional copies of this report should be addressed to:

STFC Library and Information Services,Rutherford Appleton Laboratory,Harwell Science and Innovation Campus,Didcot, Oxfordshire, OX11 0QX

email: [email protected]

Neither the Council nor the Laboratory accept any responsibility for loss or damage arising from the use of information contained in any of their reports or in any communication about their tests or investigations.

Contents

ISIS provides world-class facilities for neutron and muon investigationsof materials across a diverse range of science disciplines. ISIS 2010details the work of the facility over the past year, including accountsof science highlights, descriptions of major instrument and acceleratordevelopments and the facility’s publications for the year.

ISIS2010

40 ISIS Publications 2009-201052 ISIS Seminars 2009-2010

54 ISIS in facts and figures

56 Baem statistics 2009-2010

22 Technology and training24 Science with Second Target Station instruments

28 Advances in instruments and techniques

32 Accelerator and Target news

34 A year around ISIS

36 Inspiring the next generation of scientists!

6 Highlights of ISIS science8 Mind the gap: interfaces from nano to macro

10 Big and alive: biology and supramolecular science

12 Back to square one: rethinking chemistry

14 Weird is beautiful: strongly correlated quantum matter

16 Tomorrow is today: materials for emerging technologies

18 Knowing is doing: enabling technologies

3 Foreword

Go to page 6…

Go to page 22…

Go to page 40…

3

ISIS2010

Foreword

2

What a long way we have come since

1984! Not just in terms of the instrument

suite – a fully-developed first target

station, and a brand-new second target

station with seven operating instruments

and potential for so much more – but in

terms of the science we have delivered.

And what advances in science! I doubt

that we would have predicted, 25 years

ago, that ISIS would be exploring materials

used to repair cleft palates, or for drug

delivery, or protein arrays for medical

diagnosis. Or the myriad other applications

that neutron scattering now has, in

addition to the more traditional areas of

superconductivity and magnetism. Who

knows what will the next 25 years hold!

One sign of a mature science facility is

the partnerships that it has fostered. ISIS is

no exception: collaboration with

researchers from The Netherlands to realise

the Offspec reflectometer; or Nimrod developed

with colleagues from Italy; or Spanish colleagues

building the tank for LET and detectors for Pearl;

or the upgrade of Polaris with scientists from

Sweden – to name but a few. And this year we

celebrated 20 years of muon science

collaboration with the RIKEN institute of Japan

through the RIKEN-RAL muon facility. Prof Ryoji

Noyori, Nobel Laureate and President of RIKEN,

signed an agreement which will continue our

partnership for many years to come.

But it is people that enable all this to happen.

Members of the user community become

collaborators and close colleagues, working with

ISIS staff to produce science of the highest

quality. The ISIS team consists of hundreds of

people – many seen here – each with individual

skills and expertise that combine to make ISIS the

world-leading facility that it is. It is invidious to

single out any individual staff member, but

recognition this year must be paid to Harry Jones,

Head of the ISIS Target Division, who retired after

a career spanning five decades. Awarded an MBE

in the New Year Honours this year for his services

to science, he exemplified the qualities needed to

manage a project of the scale and complexity of

the Second Target Station.

As I write, ISIS is within a long shut-down

period. We are refurbishing parts of the

accelerator and proton beamline systems to

provide for many future years of running. And we

are further developing our instrument suite

through upgrades to Polaris and Pearl, and are

eagerly awaiting the next phase of second target

instruments. There are undoubtedly tough times

ahead, and ISIS will not be immune from the

current financial squeeze. But we are looking

forward to further great science in 2011 – and for

a long time beyond!

Happy Birthday ISIS!The ISIS Facility Board has been createdto provide advice to STFC and ISIS onISIS operational performance. TheBoard met for the first time inFebruary. Seen here during theirvisit to ISIS are Prof Tom McLeish(Durham University, Chair), MrJonathan Flint (Oxford Instruments),Prof Andrew Harrison (Institut LaueLangevin), Dr Stuart Henderson (OakRidge National Laboratory), Dr DavidLennon, (Glasgow University), ProfessorPeter Littlewood (Cambridge University)and Prof Bob Newport (KentUniversity). 10EC1255

Prof Ryoji Noyori (President,RIKEN, Japan) and Prof KeithMason (STFC Chief Executive)signing an agreement to renew thepartnership between STFC andRIKEN for muon science. This yearsaw the 20th anniversary of thefirst RIKEN-RAL agreement, signedin 1990, which established theRIKEN-RAL muon facility at ISIS.10EC2488

▼ Dr Robert Kirby-Harris,Chief Executive,Institute of Physics,examining a singlecrystal array with Toby Perring (ISIS)during his visit in April.10EC2808

New STFC council memberWill Whitethorn (Presidentof Virgin Galactic, right)being shown ISIS by ChrisFrost during his visit in June.10EC2809

▼ New STFC Chairman Professor Michael Stirlingvisited ISIS in September. Left to right: Dr Andrew Taylor(ISIS Director), Mrs Sterling, Prof Stirling and Prof KeithMason (STFC Chief Executive).09EC3074

Ed Vaizey MP, Minister for Culture,Communications and the CreativeIndustries, visited the ISIS SecondTarget Station in July. Here he ismaking a thermocouplemeasurement of his temperaturewith ISIS’s Julie Roberts, AndrewChamberlain and Zoe Bowden. 10EC2753

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ISIS celebrated 25 years of successful neutronproduction last December.

ISIS staff celebrating 25 years of ISIS running. 09EC4000

25

5

ISIS2010

A year

around ISIS

4

A year around

The Offspec instrument on the ISISSecond Target Station has been builtthrough a collaboration between ISISand Technical University Delft in TheNetherlands. Professor Tim van deHagen, Director Reactor InstituteDelft (left) and Professor KarelLuyben, Rector Magnificus TechnicalUniversity Delft (Right) are seeninspecting the new instrument.09EC3106

▲ A delegation from the Chinese Academyof Sciences visited ISIS in October. 09EC3607

SEEDER is a collaborativestudy by industrial partnersto try and establish howsingle event effects (SEEs),produced by cosmic-rayneutrons, impact on theworkings of microchips andelectronic systems. RichardJenkins (BAE systems) is seenhere performing initialstudies of the effect onVesuvio, preparing the wayfor a dedicated instrumenton the ISIS Second TargetStation. 10EC2736

Dr Paul Williams and Dr Godfrey Stafford,former directors of the Rutherford AppletonLaboratory toured the ISIS facility withDr Andrew Taylor, ISIS Director, in December.09EC4134

▼ December 16, 2009 marked 25 years of running atISIS. First neutrons were produced at the facilityon 16 December 1984, and ISIS has beenproducing science ever since. ISIS users and staffmet for a small celebration in the ISIS foyer.

A delegation from the Republic of Korea visited ISIS in July.Here we see Mrs Young-Ah Park, MP, Member of the KoreanNational Assembly, Mr Jong-Min Jeon, Policy Advisor to MPPark, Prof Dong-Pil Min, Chair of Korea Research Council ofFundamental Science and Technology (KRCF), Dr Chae-JunSong, Research Fellow, KRCF, Prof Hong Thomas Hahn,President of Korea Institute of Science and Technology(KIST), Prof Young-Joon Kim, Vice President of GwangjuInstitute of Science and Technology (GIST) and HyeyoungKim, Science and Innovation Manager, British Embassy,Seoul, with Andrew Taylor and Uschi Steigenberger (ISIS).10EC2803

The Rt Hon Lord Drayson,Minister for Science andInnovation, visited ISIS inFebruary. Here he isdiscussing hydrogenstorage materials withProfessor Bill David (ISIS)and STFC Chief ExecutiveKeith Mason. 10EC1231

▼ The Research Complex at Harwell (RCaH)was formally opened in July. RCaH is anew, multidisciplinary laboratory at RALthat provides facilities for researchers inboth life and physical sciences, particularlyusers of Diamond and ISIS. ISIS users fromUK institutions are eligible to use RCaHfacilities. See the ISIS website, or contactthe ISIS user office, for further information.09EC3907

▲ Members from the Japanese institute RIKEN visited ISISin April. Seen here are Dr Hideto En’yo (Director, RIKENNishina Centre), Mr Motohide Yokota (Director, RIKENAdvanced Research Promotion Division), Dr MasaIwasaki (Chief Scientist, RIKEN Advanced MesonScience Laboratory), Mr Koji Yokoyama (Chief,Planning section, Advanced Research PromotionDivision) and Dr Tei Matsuzaki (Head, RIKEN-RAL MuonFacility), along with Andrew Taylor, UschiSteigenberger and Philip King (ISIS). 10EC2762

ISIS▲

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7

ISIS2010

Highlights of

ISISscience

6

Highlights of ISIS science

The advanced facilitiesprovided by ISIS enable world-class research to be performedby scientists from around theworld in partnership withfacility staff. Academic andindustrial applications of theintense neutron and muonbeams encompass a verybroad range of science areas.Presented in the followingpages are brief summaries of recent science highlights.

Highlights of ISIS science

Michael Pitcher and Dinah Parker (Oxford University)using Polaris to investigate the correlation ofcomposition, structure and superconductivity inelectron-doped pnictide LiFeAs.10EC2501

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9

ISIS2010

Highlights of

ISISscience

The use of surface coatings in orthopaedicand dental implants has significantlyimproved the quality of human life. Modernimplants provide improved recovery times andlower implant rejection rates. Early implantswere expensive, and often failed because thebonding between the implant and the bone, aprocess known as osteo-integration, waspoor. Several designs have been formulated todate but many failed to achieve a strongenough bond. A solution involves coating themetal with a layer of hydroxyapatite (HA).Hydroxyapatite forms almost three-quartersof natural bone. Coating the metal first withHA gives a stronger metal-bone bond. Evenwith this improvement, one in five implantscan still fail. One of the main reasons offailure is the residual stress developed at themetal-HA interface. Neutrons offer significantadvantages to analyse this critical interface,enabling measurements to be made in-depthand non-destructively. This unique capabilityenables us to improve our understanding ofhow HA bonds to the metal and bone.

Understanding flow in ice-rock mixtures

How neutrons can improve orthopaedic implants

The rheology of multi-phase materials is ofrelevance to a broad range of applications. Ourrecent work has focused on the properties ofice-rock mixtures, which are likely to occur inthe outer solar system’s icy satellites – e.g.,Ganymede, Callisto, Titan – and to have playeda role in their geological evolution. Rockyparticles may pin ice grain boundaries,hindering the flow of the icy matrix, therebyreducing the efficiency of convection. We havecarried out tests upon ice-fluorite mixtures (an‘ice-rock’ proxy) using neutron diffraction onEngin-x to measure the strain partitioningbetween the phases. We have observed unusualbehaviour in that, under certain conditions,increased load leads to reduced stress on thefluorite. We hypothesise that this may be dueto pressure melting of ice around points on thefluorite grains. These data show that the ice-rock fabric has a more complex behaviour thanhitherto thought, and this may have unexpectedconsequences for the evolution of icy planetarybodies.

▲ Measurement and applications of flow in ice-rockmixtures: atomic arrangement in ice; scanning-electron micrograph of ice-rock fabric; possible icy-moon interior; and experiment on Engin-x.

CA Middleton, PM Grindrod,AD Fortes, SA Hunt,J Bowles, IG Wood(University College London),SJ Covey-Crump(Manchester University),S-Y Zhang (ISIS)

Contact:

Dr I Wood,[email protected]

Further reading:

Durham et al., J GeophysRes 102 (1997) 16293

R Ahmed (Heriot-WattUniversity), AM Paradowska(STFC), M Fitzpatrick (OpenUniversity)

Contact:

Dr R Ahmed,[email protected]

Further reading:

R Ahmed et al., Mater SciForum 652 (2010) 309

8

Studying the growth of silica-surfactantarchitectures during the formation ofmesoporous silicates is pivotal to understandhow these materials may be used in catalysts,drug delivery, and nanotechnology. Small-angleneutron scattering (SANS) has been used tostudy the in-situ formation kinetics of thesehierarchical structures. SANS canaccess a wide enough size range

and has sufficient temporal resolution to followhow silica grows around the templatingsurfactant. Ultra-small-angle scattering and lightscattering can access length scales larger thanthe hundreds of nanometres possible with SANSbut, in this case, long data collection times andthe turbidity of the solution prevent their use.

Recent developments in spin-echo-SANS techniques now allowstudies of structures from hundredsto thousands of nanometres with atime resolution of a few minutes.We have used this approach onOffspec to monitor thecondensation and aggregation ofsilica around surfactant micelles to

form larger particles. The final structures werefitted to a sphere model with characteristic radiiof approximately 2500 nm.

Time-resolved spin-echo SANS profiles during theaggregation of surfactant template silica particles (seephotograph). Each scan lasted for 7.5 minutes every15 minutes.

A time-resolved study into the growth of large silica-surfactant particles

Getting on top of calcite

Mind the gap: interfaces, from nano to macro

Left: opticalbirefringence ofcalcite (Icelandspar). Middle:reflectivity profileand fit (blue) for asurfactant (AOT) inwater at the calciteinterface compared toa bare surface (red).Right: schematicillustration of thestructure deduced.

K J Edler, MJ Wasbrough(Bath University)

Contact:

Dr KJ Edler,[email protected]

Further reading:

KJ Edler, Soft Matter 2(2006) 284

… biological interfaces mimicking the physiological conditions found in cellmembranes and ion channels can now be prepared and studied at ISIS usingstate-of-the-art equipment for the production of lipid bilayers.

0

–10

–20

–30

–40

–50x10-3

1000

140.00 – 167.00 minutes167.00 – 173.75 minutes173.75 – 180.50 minutes180.50 – 187.25 minutes187.25 – 214.25 minutes

2000 3000 4000 5000

Spin echo length (nm)

In(P

/P0)

/λ2

SM Clarke, IN Stocker(Cambridge University),K Webb (BP), C Kinane,J Webster (ISIS)

Contact:

Dr SM Clarke,[email protected]; Ms IN Stocker,[email protected]

Further reading:

FC Meldrum et al., ChemRev 108 (2008) 4332

1.0E–06

1.0E–05

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Calcite is an extremely important mineral insedimentary deposits and in many industrialprocesses. This is particularly evident in waterheating where it forms ‘scale’ in hard waterareas due to its retrograde solubility (solubilityfalls on heating). This precipitation leads tomajor process difficulties including pipeblockage. We have successfully used neutronreflection on Crisp to address the surfacebehaviour of calcite, particularly adsorption ofsurface active agents including those thatinhibit calcite crystal formation and growth. Theadsorbents studied include surfactants and

polymers of different molecular weightsadsorbed from both water and oil, reflecting thewide range of systems of interest. The resultsare complex with mono, bi and multilayerformation together with surface dissolution insome cases. Similarly, this approach can be usedto probe adsorption of biopolymers on to thesurface of calcite which in nature leads to theformation of beautiful, complex calcitearchitecturesthat are stillperfect singlecrystals.

Socket(Acetabular Cup)

Ball(Femoral Head)

Femoral Stem

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11

ISIS2010

Highlights of

ISISscience

Many technologically important polymers arepartially crystalline and their crystallinestructure and morphology are critical todelivering the required properties. Although theprocess whereby polymers crystallise by foldinginto thin lamellae was discovered some fifty

years ago, the existence of a transition in whicha randomly coiled polymer chain in the meltreorganises to form a chain-folded lamellarphase remains a subject of much debate andconjecture. Crystallisation involvesconformational changes to produce chainsegments with a regular conformation leadingto a translationally ordered crystal containingchain-folded surfaces. Three key length scalescharacterise this process: chain-folded lamellaeof thickness ~ 10nm, the crystal unit cell (~ 1nm), and chain-conformation details ( ~ 0.1nm). We have used Nimrod to follow, inreal time, all three length scales during thecrystallisation process. These experimental

results are being used to developdetailed multiscale models of

polymer crystallisation.

Time-resolved neutron scatteringdata for poly(e-caprolactone)

during cooling from the melt. Theobserved structural variations are

linked to the three key length scales for crystallisation.

… the high flux on the ISIS Second Target Station enableskinetic studies, from polymer crystallisation to proteinbinding, down to millisecond timescales.

Nimrod gives quantitative insight into the structural kinetics of polymer crystallisation

The development of polymer-basedoptoelectronic devices (or ‘plastic solarcells’) that could deliver electricity at acompetitive cost is a key area of research.Solutions of conjugated polymers can be‘printed’ to produce the active layer oflow-cost solar cells by means oftechnologies such as screen and ink-jetprinting or spray coating. The propertiesof this ‘ink’ need to be controlled toensure that the self-assemblednanostructures formed in the process areelectrically conducting. Small angleneutron scattering (SANS) measurementswere made on LOQ on a range ofsolutions of conjugated pure and blendedpolymers at different temperatures. From thesestudies, we are able to determine how solventinteraction, temperature, polymer molecularweight, and polydispersity influence thestructural properties of the polymer assembliesin solution. A temperature-induced shapechange (from globular to semi-flexible rod) andsolvent-induced size changes have been

observed. These findings will be used toimprove the layer fabrication procedure which,in turn, will increase the efficiency of theresulting solar-cell.

A Urbina, N Espinosa,R García-Valverde(Universidad Politécnica deCartagena, Spain),V García-Sakai, SE Rogers(ISIS), F Batallan,C Díaz-Paniagua (Institutode Ciencia de Materiales,Spain), M Jiménez(ILL, France), J Abad(Universidad de Murcia,Spain)

Contact:

Dr A Urbina,[email protected]

Further reading:

A Urbina et al., Phys Rev B78 (2008) 045420;R García-Valverde et al.,Prog Photovolt: Res Appl18 (2010) 535

10

Plants are constantly exposed to pathogens and, in response, havedeveloped multiple defence mechanisms that include the expressionof antimicrobial proteins. These are characterised by having highstructural and thermodynamic stability, but their precise mechanismof action is not known. However, it is widely accepted that theseproteins act at the level of the cell membrane.

We have investigated the membrane interactions of thepuroindolines, a family of antimicrobial proteins found in wheat. Thepuroindolines are unique among plant proteins as they contain atryptophan-rich domain and play an additional role in determiningwheat endosperm texture, an economically important quality thatdetermines the milling characteristics of wheat.

The tryptophan-rich domain is thought to be implicated in themembrane interactions of puroindolines. Using air/liquidmonolayer and solid/liquid floating bilayer models, wehave used neutron reflectivity to explore how singleamino-acid residue substitutions affect a protein’sability to penetrate lipid membranes, as well as howthese findings relate to antimicrobial effectiveness.

Exploring membrane activity of plant seed defence proteins

Solution structure of proteasome activators

Big and alive: biology andsupramolecular science

M Sugiyama (KyotoUniversity, Japan),E Kurimoto (MeijoUniversity, Japan), S Takata(JAEA, Japan), K Kato(Okazaki Institute forIntegrative Bioscience andInstitute for MolecularScience, Japan)

Contact:

Dr M Sugiyama,[email protected]

Further reading:

M Sugiyama, inpreparation

Sans2d data for PA28(points) and initialsimulations (lines) allowingfor dimer–monomerequilibrium. D2O/H2Ocontrast variation withdeuterated α subunitsshows that the ringscomprise three α and fourβ units.

LA Clifton (ISIS),RA Frazier, RJ Green(Reading University),AV Hughes (ISIS)

Contact:

Dr LA Clifton,[email protected];Dr RJ Green,[email protected]

Further reading:

LA Clifton et al., J PhysChem B 112 (2008) 15907

In biological cells, the so-called ‘20Sproteasome’ is responsible for breaking downdamaged or unneeded proteins so they can berecycled into new ones. Its function is regulatedby several Proteasome Activators (PAs). Forexample, PA28 binds to proteasomes and theresulting complex promotes the production ofimmune-response peptides. PA28 is known tocomprise seven-membered rings containing twovery similar subunits, named α and β, each ofmolecular weight ~28 kDa. Novel insight intothe structure of PA28 has been obtained insmall-angle neutron scattering (SANS)

experiments carried out on the recentlycommissioned Second Target Station instrumentSans2d. Employing water-solvent contrastvariation with deuterated α subunits was key tothis study. Initial modeling efforts having asstarting point the crystal structure ofhomologue PA28 indicate that PA28 heptamerrings are made up of three α and four βsubunits in an alternating zig-zag arrangement.The SANS intensities also reveal that there is awell-defined solution equilibrium betweenheptamer and its double-ring dimer, making theanalysis more intricate than anticipated.

D2O: Exp, simulationDeuterated Not deuterated0%: 98%:40%:98%:

1.0

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Scattering vector (Å-1)

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7.E-06

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4.E-06

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ngth

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Momentum transfer Q (Å-1)

Distance from interface (Å)

Surfaceprotein

Boundprotein

Lipid with protein

Lipid region

Lipid modelmembrane

Boundprotein

0.1 1 10

Q (Å-1)

Lamellar structure~~ 10 nm

S(Q

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30°C

50°C

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Chain conformation~~ 0.1 nm

Crystal structure~~ 1 nm

10

Increasing T

Globular

Semi-flexible rod

1

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l(q)

LightLight

Glass substrate

Gla

ss

ITO Al

Electron donor

Electron acceptor

Excitron

h+

– e

ITOOrganic layer

MetalOutput

LED modePhotovoltaic mode

GR Mitchell, D LopezGarcia, FJ Davis (ReadingUniversity), and DT Bowron (ISIS)

Contact:

Prof GR Mitchell,[email protected]

Optimising polymer solutions for printed electronics

▲ SANS data demonstrating a temperature-inducedshape change from globular to semi-flexible rod forP3HT in toluene. The inset shows an organic light-emitting diode and an organic solar cell.

▼

▼ Neutron reflectivity data and associated scattering lengthdensity profile for the interaction of puroindoline-a with ananionic phospholipid monolayer. The schematic shows theinterfacial layer structure.

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ISIS2010

Highlights of

ISISscience

Aromatic π – π interactions between benzene-like chemical groups play a key role in manyimportant scientific phenomena, including thestereochemistry of organic reactions, organichost-guest chemistry and crystal packing,protein folding and structure, DNA and RNAbase stacking, protein-nucleic acid recognition,drug design, and asphaltene (heavy crude oil)aggregation and fouling. Wehave used isotopic labellingand neutron diffraction tomeasure the structure in twoarchetypal aromatic liquids:benzene and toluene. Ourresults call for a significantrethink of the way we modelπ-orbital interactions. We havefound that the so-called ‘T-shaped’ arrangement between

aromatic groups, which had previously beenproposed as a dominant motif in π – πinteractions, in is in fact absent in our liquids.Instead, we have observed an entirely newgeometry, which we have christened ‘Y-shaped’.In this configuration molecules direct hydrogenatoms towards the π-orbitals themselves, ratherthan towards the centre of the aromatic ring.

Twists, bends, and stretches in Li(NH3)4, the lightest metal known

π – π interactions in aromatic liquids

When alkali metals are dissolved in anhydrousliquid ammonia they give up their outer-shellelectrons to the solvent producing solvatedelectrons and metal ions. At low metalconcentrations, the solutions are electrolytic innature and deep blue in colour. As theconcentration is increased, the solutionstransform to a fine bronze colour withmetallic lustre.

Lithium-ammonia solutions are uniqueamongst the alkali metal systems in that theyform a highly conductive crystalline compoundLi(NH3)4 at low temperature.

The metallic nature of these systems makesrecording of vibrational spectra particularlychallenging! Our inelastic neutron scatteringmeasurements on Tosca represent the first lookinto the vibrational modes of this fascinatingmetallic material, revealing unique insights intothe vibrational characteristics of this molecularsystem, the lightest metal known.

▲ Metallic Li(NH3)4 photographed in liquid nitrogen inthe open lab. This ultra-light bronze metal evenfloats!

MTJ Lodge, PP Edwards(Oxford University),WIF David, AJ Ramirez-Cuesta (ISIS)

Contact:

Prof PP Edwards,[email protected]

Further reading:

E Zurek et al., Ang ChemInt Ed 48 (2009) 8198

TF Headen, CA Howard,NT Skipper, MA Wilkinson(University College London),DT Bowron, AK Soper (ISIS)

Contact:

CA Howard,[email protected]

Further reading:

TF Headen et al., J AmChem Soc 132 (2010) 5735

12

Intermolecular proton transfer throughhydrogen bonds has wide-ranging implicationsin fields as diverse as ferroelectrics,electrochemical processes, and enzymaticactivity. In the solid state, the environmentaround a hydrogen bond is known to alter thebehaviour of the proton, leading to effects suchas proton disorder or migration across bonds asa function of temperature. However, it isdifficult to control and predict when this mayhappen. 4-dimethylaminobenzoic acid (4DABA)contains dimeric building blocksin its pure form and also exhibitshydrogen disorder.However,introducing the secondcomponent 3,5-dinitrobenzoicacid into the crystalline latticeremoves this disorder within the4DABA unit. Using SXD at ISIS,we have shown that introducinga third component, 4,4'-bipyridine, further perturbs the

local environment, and hydrogen disorder isagain observed. These results show that thebehaviour of hydrogen atoms can be tuned bymodifying the molecular and crystallineenvironment around the 4DABA dimer buildingblock, with implications for the general controlof proton transfer processes.

▼ Temperature evolution of hydrogen disorder in 4-dimethylaminobenzoic acid dimer embedded in aternary molecular complex.

Towards controlled proton transfer: tuning proton behaviour in a ternary molecular complex

Proton harmonic motion in ice

Back to square one:rethinking chemistry

The proton momentumdistribution in ice parallel(p||) and perpendicular (p )to the bond-stretchingdirection.

LH Thomas, AA Kallay,A Parkin, CC Wilson(Glasgow and BathUniversities), N Blagden(Bradford University),CC Seaton (ManchesterUniversity), MJ Gutmann(ISIS)

Contact:

Prof CC Wilson,[email protected]

Further reading:

LH Thomas et al., CrystGrowth Design 10 (2010)2770

There is currently great interest in probing thequantum state of the proton in ice. This can berevealed from the momentum distribution n(p),which is a very sensitive probe of the potentialof mean force experienced by the protons inhydrogen-bonded systems. We have exploredthe details of n(p) in ice at T=271 K using acombination of deep inelastic neutronscattering and path-integral Car-Parrinellomolecular dynamics simulations. The neutron

data have been interpreted within theframework of the impulse approximation, whichallows us to extract the three-dimensional n(p).Experimental and simulation data have beensuccessfully interpreted with an anisotropicGaussian model in which the proton essentiallymoves in a harmonic well along each direction,but with a marked anisotropy between motionsparallel and perpendicular to the bond-stretching direction.

D Flammini, A Pietropaolo,R Senesi, C Andreani(Università di Roma TorVergata, Italy), F McBride,A Hodgson (LiverpoolUniversity), L Lin, R Car(Princeton University USA),MA Adams (ISIS)

Contact:

Prof C Andreani,[email protected]

Further reading:

C Andreani et al., Adv Phys54 (2005) 377

4πp2n(p)

(Å-1

)

x 10-5

6

4

2

0

-2

-4

05

1015

200

510

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p|| (Å-1)p| (Å

-1)

… the time window accessed by the ISIS spectroscopy suite spans eight orders ofmagnitude, from attoseconds to hundreds of picoseconds. Larmor, one of the nextinstruments planned for the Second Target Station, will boost current capabilitiesby an additional factor of 1000, approaching the microsecond domain.

T

T-shaped (T) Y-shaped (Y)

A slight shift in molecule orientation affects how the benzene moleculesinteract chemically with other molecules such as proteins. The ‘T-shaped’arrangement has a single hydrogen atom pointing into the centre of thepair benzene molecule. The ‘Y-shaped’ arrangement is slightly rotated sothat two hydrogen atoms are pointing to the other molecule’s delocalisedelectron ring.

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ISIS2010

Highlights of

ISISscience

Alkali-doped fullerides are the simplest type ofhigh-Tc superconductors. In the hyperexpandedbcc-structured A15 Cs3C60, superconductivityemerges upon applied pressure out of anantiferromagnetic insulating state anddisplays a dome in Tc as a function ofthe volume per C60

3- anion. Whereasin the high-Tc cuprates, the Cu2+

cation is limited to one structuralarrangement (a 2D square lattice),we have now isolated a secondpolymorph of the magnetic and

superconducting fulleride Cs3C60 with an fccstructure. This enables a comparison betweenthese two cooperative electronic states when

the same electronically activeunit is arranged

differently in space.The dominant role

of electroncorrelations isthen shown bya simplestructure-independentscaling of Tc

according toproximity to the

correlation-drivenMott metal-insulator

transition. ISIS muonswere vital in the discovery of

spin ordering of the fcc variant, wheremagnetism is dramatically suppressedby the frustrated nature of the latticestructure.

… it is possible to perform measurements from 20 μeV up to 80 meV with acontinuous position-sensitive detector coverage of 1 steradian, and up to 9 Tesla magnetic field. All this on just one instrument – LET – not to mentionthe other spectroscopy instruments!

Magnetic excitation spectrum of Fe1+yTe1-xSex

Strongly correlated alkali fullerides

The recent discovery of superconductivity withTc up to 55 K in Fe-based materials hasgenerated much excitement, yet the mechanismunderpinning superconductivity in these‘unconventional’ superconductors remainselusive. Of the mechanisms proposed, spin-fluctuation-mediated superconductivity isamong the most promising. As such,studies of magnetic excitations bymeans of inelastic neutron scatteringare crucial. The simple crystalstructure and availability of largecrystals makes Fe1+yTe1-xSexparticularly interesting. We haveperformed detailed inelastic neutronscattering studies of the magneticexcitations in Fe1+yTe1-xSex crystalswith x=0.27 (non-superconducting)and x=0.49 (superconducting). Thesemeasurements revealincommensurate 2d magneticexcitations up to energies of at least300 meV. The spectrum exhibits four-fold symmetry about the (π,π) wave vectorshowing that a square lattice constitutes the

fundamental unit cell for the magneticinteractions, as also found in the cuprates. Thepresence of incommensurate excitations andtheir evolution with energy are also similar toprevious observations in the cuprates, whichmay suggest a common origin ofsuperconductivity in both classes of materials.

MD Lumsden,AD Christianson,SE Nagler, HA Mook,C de la Cruz, MB Stone,DL Abernathy,GJ MacDougall, AS Sefat,MA McGuire, BC Sales,D Mandrus (Oak RidgeNational Laboratory, USA),EA Goremychkin (ISIS,Argonne NationalLaboratory), T Guidi (ISIS)

Contact:

Dr MD Lumsden,[email protected]

Further information:

MD Lumsden et al., NatPhys 6 (2010) 182

▲ Constant-energy plots of the magnetic excitationsprojected onto the H–K plane for the x=0.27 sample (panelsa-c) as measured on Merlin. Panels d-f are fits to the data.

K Prassides (DurhamUniversity), MJ Rosseinsky(University of Liverpool),PJ Baker (ISIS)

Contact:

Prof K Prassides,[email protected]


AY Ganin et al., Nature466 (2010) 221

Universal trend in thesuperconducting transitiontemperature as a functionof the proximity to theMott transition. The insetshows a muon (green)implanted in fcc Cs3C60.

14

Confinement is the binding of particles by aninteraction whose strength grows withseparation. The most famous example is that ofthree quarks confined by the strong nuclear forceto form protons or neutrons. As this forcebecomes stronger with increasing separation, freequarks do not exist and can only be observedindirectly. An analogous confinement process ispredicted in condensed matter systems known asspin ladders. Ladders consist of two parallelchains of spin-1/2 ions magnetically bondedtogether. A remarkable feature of a single chain isthat the individual electrons separate intoindependent spin and charge parts. The spin parts,or spinons, have spin 1/2. By coupling two chainstogether to form a ladder, spinon pairs formcomposite spin 0 or 1 particles in a wayanalogous to how protons and neutrons emergefrom quarks. This phenomenon was investigatedon the spin-ladder compound CaCu2O3 where theinterchain coupling is weak enough to allow theobservation of confinement effects. Using Maps,the excitation spectrum was measured and foundto agree well with the theoretical model,confirming the confinement picture.

▲ Top: Region between two spinons on a chain consistsof reversed spins (red); reversed spins cost energydue to their parallel alignment with the spins on theneighbouring chain. Bottom: Bound spinon spectra.The lines are theoretical predictions for the weaklycoupled ladder.

Quantum systems have zero-point fluctuationseven at zero temperature. When suchfluctuations become strong, they can drivetransitions between distinct phases of matter.

One of the most theoretically studied paradigmsfor such a quantum phase transition is the one-dimensional (1D) chain of Ising spins in atransverse magnetic field. The field stimulatesquantum tunneling between the ‘up’ and‘down’ spin orientations and, above a criticalfield, these quantum fluctuations becomestrong enough to ‘melt’ the spontaneousmagnetic order and stabilise a paramagneticstate.

We have realised this system experimentallyfor the first time by applying strong magneticfields to the quasi-1D Ising ferromagnetCoNb2O6. Using high-resolution single-crystalneutron scattering on Osiris and Iris we haveobserved a dramatic change in the fundamentalquantum character of spin quasiparticles as themagnetic field quantum melts the spontaneousmagnetic order. Our results emphasise thatquantum criticality opens up new avenues toexperimentally realise and explore otherwiseinaccessible and novel correlated quantumstates of matter.

Quantum melting of magnetic order in an Ising spin chain

Confinement phenomenon observed in spin ladders

Weird is beautiful: stronglycorrelated quantum matter

B Lake (Helmholtz ZentrumBerlin, Technical UniversityBerlin), AM Tsvelik(Brookhaven NationalLaboratory, USA),S Notbohm (HelmholtzZentrum Berlin, St Andrew’sUniversity), DA Tennant(Helmholtz Zentrum Berlin,Technical University Berlin),TG Perring (ISIS), M Reehuis(Helmholtz Zentrum Berlin),C Sekar (Periyar University),G Krabbes, B Büchner (IFW Dresden)

Contact:

Prof B Lake,[email protected]

Further reading:

B Lake et al., Nat Phys 6(2010) 50-55

R Coldea (OxfordUniversity), DA Tennant(Helmholtz Zentrum Berlin,Technical University Berlin),EM Wheeler (OxfordUniversity), E Wawrzynska(Bristol University),D Prabhakaran (OxfordUniversity), M Telling (ISIS),K Habicht, P Smeibidl,K Kiefer (Berlin)

Contact:

R Coldea,[email protected]

Further reading:

R Coldea et al., Science327 (2010) 177

Top: Schematic phasediagram and cartoon ofthe spin excitations in theordered and paramagneticphases of CoNb2O6.Bottom: Evolution of thespin excitation spectrumas a function of appliedfield.

0

0.2

0.4

0.6

0.8

1.0

20 40 60

Energy transfer (meV)

Bound spinon triplet

Bound spinon singlet

A BSeparation of domain walls

Inte

nsity

0.4

-0.2 0 0

0 21

0 00.2 0.2 0.20.4 0.2 0.4-0.2 -0.2-0.2

1.0

1.6

0 Ordered Paramagnethc Field h

3.25 T(b)

(a)

(c)

GapΔ(h)

Domain-wallquasiparticles

Spin-flipquasiparticles

Paramagnet Transversefield

Magnetically ordered

Quantumcritical

Wave vector of excitation (2π/c)

Ener

gy (m

eV)

Tem

pera

ture

(d) (e)4 T 5.45 T 6 T

x 1/3

0.2

0

0.4

0.6

0.8

1.0

0.7 0.8 0.9 1.0 1.1

(U/W)/(U/W)c

T c/T

c (m

ax)

1.5 5

4

3

2 1.0

1.5

2.0

2.50.6

0.4

0.2

1.0

0.5

0

K (r.

l.u.)

22 ± 3 meV 45 ± 5 meV 120 ± 10 meV

K (r.

l.u.)

K (r.

l.u.)

(a) (b) (c)

-0.5

-1.0

-1.5 -2

-1

0

1

2

-1.5 -1.0 -0.5 0 0.5 1.0 1.5 -2 -1 0 1 2-2

-1

0

1

2

-2 -1 0 1 21.5 5

4

3

2 1.0

1.5

2.0

2.50.6

0.4

0.2

1.0

0.5

0

K (r.

l.u.)

K (r.

l.u.)

K (r.

l.u.)

H (r.l.u.)H (r.l.u.)H (r.l.u.)

(d) (e) (f)

-0.5

-1.0

-1.5 -2

-1

0

1

2

-1.5 -1.0 -0.5 0 0.5 1.0 1.5 -2 -1 0 1 2-2

-1

0

1

2

-2 -1 0 1 2

▼

▼

17

ISIS2010

Highlights of

ISISscience

‘Smart’ materials display a plethora ofpotentially useful properties, and these caninteract with each other giving rise to newphenomena. In magnetic systems such asferrromagnetic shape memory materials andmagnetic refrigerants, magnetism and crystalstructure are intimately linked with each other;that is, a change in one can alter the other.

This feedback mechanism – known asmagneto-elastic coupling – is usually quiteweak, with atomic separations changing byfractions of a percent as the temperature ofthe material changes. However, using thehigh resolution powder diffractometer(HRPD) at ISIS, we see that the separation ofmagnetic centres in CoMnSi can change byup to 2% as it is heated.

Such large changes in crystal structurehave urged us to postulate a novelmechanism for large magneto-elasticcoupling. We conclude that the manganeseatoms experience a competition betweenenergetically similar magnetic states resultingin quite different atomic separations. Thus,temperature (or magnetic field) can ‘tip thebalance’ in these novel materials.

Magnetricity

Tipping the magneto-elastic balance

SR Giblin (ISIS),ST Bramwell, S Calder,R Aldus (University CollegeLondon), D Prabhakaran(Oxford University), andT Fennel (ILL)

Contact:

SR Giblin,[email protected]


ST Bramwell et al., Nature461 (2009) 956

A Barcza (CambridgeUniversity), Z Gercsi(Imperial College London),KS Knight (ISIS),KG Sandeman (ImperialCollege London)

Contact:

Dr K Sandeman,[email protected]


A Barcza et al., Phys RevLett 104 (2010) 247202

▼ Temperature dependence of Mn-Mnnearest-neighbor distances in (a) CoMnSiand (b) Co0.95Ni0.05MnSi. Crystallographicpositions are shown in (c), together withthe closest commensurate version of thehelical spin Co and Mn sublattices.

16

Metal-organic frameworks (MOFs) are excellentcandidates for solid state hydrogen storage. Ouraim was to determine the preferred position ofhydrogen adsorption sites within one of themost promising Cu-MOFs: NOTT-112. Theintrinsic scattering properties of hydrogen and

its isotopes makeneutron powder

diffraction auseful tool formonitoring

the hydrogen adsorption mechanism. Thesample was exposed to aliquots of D2 gas at50 K allowing us to populate sequentiallydifferent adsorption sites. Data were collectedafter each dosing on Gem. The figure shows theadsorption site distribution revealing positionswithin NOTT-112. For the first time, we havebeen able to demonstrate preferentialadsorption to the two Cu atoms in thepaddlewheel coordination unit (the sorption sitewithin the cage) filling before the exo-cage site

(i.e. A1 and A2). Future work willapply inelastic neutron

scattering techniques withthe same experimentalprocedure in order toinvestigate the nature ofthe interaction between

the hydrogen molecule andthese two Cu sites.

Mg-Ti thin film alloys have large hydrogenstorage capacities, fast hydrogenabsorption/desorption kinetics and arestructurally stable. These qualities stem from ashort-range-ordered distribution of the Mg andTi atoms. In order to study the influence ofshort-range order on the hydrogensorption properties of Mg-Ti systems, weartificially engineered chemicalsegregation by depositing a Ti/Mgmultilayer with 10 repetitions of Ti(2 nm)/Mg(4.4 nm). On exposure to H2, atwo-step hydrogenation process occurswith the Ti layers forming the hydridebefore Mg. In-situ neutron reflectometryallows an accurate determination of theout-of-plane expansion associated witheach hydrogenation step. The volumeexpansion expected for the hydrogenationof both Ti and Mg is transferredcompletely along the vertical direction,indicating that large plastic deformations haveto occur upon hydrogen uptake. Owing to the

large negative neutron scattering length ofhydrogen, neutron reflectometry proves to bean excellent technique for the in situcharacterisation of the hydrogen absorptionproperties of thin films.

Hydrogen absorption in Ti/Mg multilayers studied by neutron reflectometry

Metal-organic polyhedral frameworks by powder neutron diffraction

Tomorrow is today: materials for emerging technologies

A Baldi, H Schreuders,B Dam, R Griessen (DelftUniversity of Technology,The Netherlands),PC Aeberhard (OxfordUniversity), C Kinane,WIF David, M Skoda,R Fan, S Langridge (ISIS)

Contact:

Dr A Baldi,[email protected]; Dr C Kinane,[email protected]

Further reading:

A Baldi et al., Phys Rev B81 (2010) 224203

▲ Neutron reflectometry patterns measured during thehydrogenation of a 10x{Ti/Mg} multilayer at 333 K invacuum and after exposure to 20 and 600 Pa of H2.

0.04 0.08 0.12

Q (Å-1)

Inte

nsity

(a.u

.)

0.16

10x

10x

10x

30%

24%

p(H2) = 600 Pa

MgH2 (5.7 nm)TiH2 (2.5 nm)

Mg (4.4 nm)TiH2 (2.5 nm)

Mg (4.4 nm)Ti (2.0 nm)

p(H2) = 20 Pa

Vacuum

03.06

3.08

3.10

3.12

3.06

3.08

3.10

3.12

100 200 300

Temperature (K)

d1

d2

d1

CoMnSi

Co0.95Ni0.05MnSi

Mn–

Mn

dist

ance

s (Å

)

400 500

+120°

+120°

d2

a 2b

q=(0

,0,+

1/3)

c

Co

Mn

Si

c

c

(a) (c)

(b)

The transport of electrically chargedquasiparticles (based on electrons, holes orions) plays a pivotal role in modern technologyas well as determining the essential function ofbiological organisms. In contrast, the transportof magnetic charges has barely beenexplored experimentally, mainly becausemagnetic charges are generallyconsidered to be, at most, convenientmacroscopic parameters rather thansharply defined quasiparticles. However,the recent proposition of emergent magneticmonopoles in certain materials may change thispoint of view. We have dusted off a 1930’stheory of electrochemistry and applied it todemonstrate that in some materials there is amagnetic equivalent of electricity. In electricity,charges can be driven apart by the applicationof an electric field. We used muons to showthat magnetic charges can be driven apart usingmagnetic fields, creating a magneticcurrent.

Magnetic charge moving apart under theinfluence of an applied magnetic field.

IPL Telepeni, GS Walker,Y Yan, X Lin, M Schröder(Nottingham University),W Kockelmann (ISIS)

Contact:

Prof GS Walker,[email protected]


Y Yan et al., J Am Chem Soc132 (2010) 4092

… many experiments, from catalysis to gas storage, batteries to fuel cells, needto measure a physical property (e.g., conductivity, weight change, gas uptake,or Raman spectrum) in conjunction with the collection of neutron and muondata. All of the above are possible at ISIS.

D2 sites in NOTT-112 cages A (a) and B (b). (c) shows fivepossible D2 sites: A1, lavender; A2, blue; A3, yellow; A4,orange; A5, green.

(a) (b) (c) ▲

▼

18 19

ISIS2010

Highlights of

ISISscience

Nickel-based superalloys are a family ofmaterials designed to exhibit both exceptionalmechanical properties and superior corrosionresistance at very high temperatures. Typically,they are the material of choice for the mostdemanding applications in modern gas turbines.

The presence of γ’ Ni3(Al,Ti,Ta) precipitatesaccounts for their exceptional materialperformance. The precipitate size anddistribution are carefully controlled by heattreatments during manufacturing so as to attainoptimal properties.

To investigate γ’ particle size distributions,microscopy is often used, though this techniquecan only be used before and after heattreatment. An in situ experiment investigatingthe temporal evolution of γ’ particle sizedistributions in a RR1000 nickel-basedsuperalloy during aging at 760°C has beenperformed using small angle neutron scattering(SANS) on LOQ. Due to the high γ’ volumefraction, our data analysis had to account forthe scattering from both within and betweeneach distribution. The SANS results will help tovalidate computer models of precipitates andimprove our understanding of these importantclass of alloys.

Bulk metallic glasses have unique propertieswhich offer potential developments for a widerange of technological applications. CaMgZnglasses have extremely good glass-formingability, whilst exhibiting low densities (1.6 –2.4 g/cm3) and extremely low Young’s (~20-30GPa) and shear (~9-14 GPa) moduli. Relatingthe structural characteristics of these glasses totheir physical properties will allow the design ofnew materials for specific applications. Wehave used neutron and X-ray diffraction,combined with Reverse Monte Carlo and abinitio molecular dynamics modelling. We findthat those CaMgZn glasses which form easilyhave zinc- and magnesium-centred clusters, around whichcalcium atoms are packedefficiently to give highcoordination numbers. As thecomposition of the glass isaltered, the arrangement ofthe atoms in the clusterschanges dramatically. Adecrease in the glass-

forming ability is linked to the formation ofclusters similar to those found in Ca2Cu crystals,as well as to an increase in Zn-Zn clustering.

Every large neutron facility uses liquid heliumcryostats for scattering experiments at very low(cryogenic) temperatures. The ISIS SampleEnvironment Group has designed, assembled,and successfully tested a prototype of a liquid-cryogen-free system based on a pulse-tuberefrigerator. Equipped with a 50 mm diametertop-loading port for neutron scatteringexperiments, the sample temperature rangeachieved in our tests is 1.35 – 300 K, with amaximum cooling power of 55 mW at 1.8 K. Allcryostat parameters are similar to those of theclassic ‘Orange’ cryostat, yet this system doesnot require any liquid cryogens. This newcryostat design can also house ultra-lowtemperature inserts such as the Kelvinox VTdilution refrigerator, so as to reachtemperatures as low as 30 mK.

… ISIS scientists develop new processes, technologies, and equipment in closecollaboration with a wide range of industrial R&D teams in the UK and abroad,from small and medium enterprises to large multinational corporations.

Measurements from TEM images

PSD prediction from modelled SANS profiles

100 nm 100 nm

t = 0 mins t = 505 mins1023

1022

1021

1021

1020

1019

Num

ber d

ensi

ty (m

–3)

Num

ber d

ensi

ty (m

–3)

Radius (nm)

1020

1019

1018

1017

1016

1015

1014

0 10 20 30 40 50 60Radius (nm)

0 10 20 30 40 50 60

Supersolvus & oil quench (t = 0 mins) After aging at 760°C (t = 505 mins)

Prize-winning accelerator diagnostic systemsLow-temperature cryogenics based on pulse-tube technology

Characterisation of nickel-based superalloysas used in aero-engine turbine discs

Structural studies of Ca-Mg-Zn bulk metallic glasses

Knowing is doing:enabling technologies

DM Collins, HJ Stone(Cambridge University),RK Heenan (ISIS)

Contact:

DM Collins,[email protected]


DM Collins, Met Trans A(accepted, 2010)

Top: Transmission electronimages of carbon replicasused to image the γ'precipitates in RR1000 atthe start and end of theheat treatment. Bottom:measured particle sizedistributions and SANSpredictions.

The ISIS synchrotron accelerates a beamof 2.8 x 1013 protons to 85% of lightspeed, 50 times per second. Each cyclelasts 10 ms, during which the beammakes 12,000 revolutions in a 163 mcircumference, with the proton energygradually rising from 70 to 800 MeV.

The amount of beam the synchrotroncan accelerate is limited by beam losses.A new monitoring system has beendeveloped to analyse data from thirty-nine gas ionization tubes distributedaround the synchrotron. Beam losses areidentified in individual monitors at anytime during acceleration.

Accurate determination andcorrection of the position of the proton beam isalso a major factor in reducing losses. To thisend, data acquisition and analysis systems forthe fourteen horizontal and seventeen verticalbeam position monitors have been installed inthe synchrotron. The new system can closelymonitor and correct the beam position towithin 2 mm of the machine centre.

▲ LabVIEW-based user interface displaying beam losslevels in the synchrotron.

These developments have helped set newrecords for maximum beam current from theISIS synchrotron. The record average current for24 hours of operation now stands at 217.1 μA.

B Jones, SA Fisher (ISIS)

Contact:

B Jones,[email protected]

Further reading:

The ISIS ProtonSynchrotron: Beam DataAcquisition and AnalysisUsing NI PXI and LabVIEW(http://sine.ni.com/cs/app/doc/p/id/cs-12422)

CR Chapman, BE Evans,MP Dudman, J Keeping,RBE Down, O Kirichek,ZA Bowden (ISIS)

Contact:

Dr O Kirichek,[email protected]


Cryogenics, submitted

ON Senkov, DB Miracle (Air Force ResearchLaboratory), YQ Cheng,E Ma (John HopkinsUniversity), ER Barney, andAC Hannon (ISIS)

Contact:

Dr ON Senkov,[email protected]


ON Senkov et al., Phys RevB 82 (2010) 104206

▼ Zinc (blue) and magnesium (red) centred clustersformed by the close packing of calcium atoms(green) in the Ca60Mg20Zn20 glass.

▲ Cryogen free top-loading cryostat based on a pulse-tube refrigerator. The arrow indicates the height ofthe beam.

▼

21

ISIS2010

ISIS users at w

ork

20

Simon Titmuss (Oxford University) employingoff-specular reflectivity to probe thecharacteristic lateral length-scales inresponsive polyelectrolyte brushes onOffspec. 10EC2530

▼ Jacqueline Edge and Michael Wilkinson(UCL) making preparations for studies ofthe dynamics of an important watersoluble pesticide molecule, paraquat, insolution and in hydrated clay on IRIS.10EC2594

▲ Andrew Quirk (NewcastleUniversity) preparing samplesfor Polref studies of theassembly of antibody bindingproteins as part of aprogramme to developwireless medical diagnosticsensors. 10EC2533

Bella Lake, Alan Tennant and ElisaWheeler (Helmholtz Zentrum Berlin)using Mari and Merlin to determineorbital ordering in ZnV2O4. 10EC2515

▼ Andrew Hodgson, Fiona McBride (LiverpoolUniversity) and Carla Andreani (Università diRoma – Tor Vergata) studying the protonmomentum distribution in oriented ice filmson Vesuvio. 10EC2555

▼ Andrew Christianson(Oak Ridge NationalLaboratory, USA)prepares to examinehigh energy magneticexcitations in Fe(Se,Te)using on MAPS.10EC2556

Ross Colman, Andrew Wills(University College London), FabriceBert (CEA-Saclay) and Laura Fenner(Université de Paris-Sud) usingMuSR to continue their studies onKagome quantum spin liquids.10EC2545

▲ Samantha Callear (ISIS) and Kazuya Kamazawa(Toyota, Japan) performing in-situ inelastic neutronspectroscopy studies of metal-hydride hydrogenstorage materials on Tosca. 10EC2587

Sanjooram Paddea and JohnFrancis (Open University)using Engin-x to measureresidual stress distributionsand stress relaxation due topost weld heat treatment inP91 (9Cr-1Mo) steel welds.10EC2573

▼

▼ ▲

▲ISIS users at work

23

ISIS2010

Technologyand training

22

Technology and training

Technology development at ISIS is acontinuous process, driven in responseto the changing scientific needs of theuser community and to maintain ISISas a world-class neutron and muonsource. Evolution of existinginstruments and construction of newones, together with advances inneutron and muon techniques, providefresh opportunities for materialsinvestigations.

The past year has seen first users onseveral new ISIS instruments, and avariety of other technique andinstrument enhancements.Alongside technical developmentcomes a wide range of educationand training activities – fromtraining courses and workshops forthe user community, to projects runwith teachers and schools.


Emma McCabe (Durham University)preparing her oxyselenide sampleto examine its crystal andmagnetic structures on HRPD.10EC2525

▼

25

ISIS2010


24

PolrefSoumya Ray and Steve Lister(University of St Andrews) usingPolref to study the interactionbetween superconductivity andmagnetism in iron-lead thinfilms. The newly commissioned3D vector cryomagnet is visiblebehind them. Polref is a neutronreflectometer exploiting stateof the art sample environmentand flexible polarisation tostudy a wide range ofnanomagnetic andsuperconducting systems. Itdelivers significantly reduceddata acquisition timescompared to currentinstrumentation. Increasingly,the instrument also enables theapplication of polarisedneutrons to studies on softmatter and biology resulting inimportant improvements indata analysis. 10EC2562

InterOver the past year, Inter has hosted a rangeof experiments from electrochemistry tobiocompatible surfactants and ‘designer’DNA adsorption. A new stream of researchenabled by the reflectometer has been thestudy of kinetics and complexity. As anexample, the figure shows a recentexperiment to measure the evaporation ofvolatile molecules incorporated intosurfactant layers. Inter’s high flux allows thekinetics of such transport mechanisms to beinvestigated with a time resolution betterthan 30s, with further improvement planned.

OffspecOffspec has started its userprogramme with successfulexperiments in both Spin EchoSmall Angle Neutron Scattering(SESANS) and Spin-EchoResolved Grazing IncidenceScattering modes (SERGIS), theonly regularly operating userinstrument in the World withthese techniques. Gratingsamples have shown that it ispossible to access length scalesof order 100 nm for somesamples. In standard reflectivitymode, using two incidentangles and a resolution of~3%, measurement times ofaround 1 hour produce highquality data with extremelylow background.

Sciencewith Second Target Station instruments

–1.0

–0.5

0.0

0.5

1.0

0 500 1000 1500 2000

Spin echo length (nm)

139nm grating 1MHz 65° 2mm beam

Refle

cted

ang

le (°

)

▲ Offspec SERGIS data from a 139nm repeat silicon grating.

▼ First users of Offspec. David Bucknall (Georgia Institute of Technology andOxford University), Jinhyun Hannah Lee and Zamri Radzi (Oxford University)with Rob Dalgleish (ISIS) investigating hydrogels for their prospective rolein cleft pallet repair. 09EC3928

‘Head space’apparatus formeasurement ofthe evaporation ofvolatile moleculesincorporated intosurfactant layerson Inter.

Studies of the incorporation of volatilemolecules into surfactant layers on Inter.

▲

▲

▼

27

ISIS2010


26

Sans2dCommissioning of the Sans2d beamline started in the summer of 2009 andhas continued in parallel with an initialuser program and development of newdata reduction software. Recently,complex sample environment, such asshear, pressure and stopped-flow cells,has started to be used.

Stopped-flow kinetic data taken on Sans2d(collaboration with TU-Berlin). The data showa micelle-vesicle transition followed by anincreas in vesicle monodispersity measuredwith 15s time resolution.

WishFrom the moment it received beam in June2009, the Wish diffractometer startedproducing very high quality data. The high coldneutron flux, good Q-resolution and lowbackground have already made an impact inthe study of magnetic systems with weaklyordered moments which had not been resolvedanywhere previously (as low as 0.1 μB) androutinely allow work on 100 mg samples. Onlarger samples, a collection time of minutesprovides good statistics for Rietveld refinement.Wish is also used in areas such as hydrogenstorage materials with large unit cells. The firstexperiment using the dedicated 14Tcryomagnet gave excellent results, showingthat the radial collimator eliminates the Alcontamination in a wide angular range.

▼ The team for the first Wish experiment. Roger Johnsonand Tom Frawley (Durham University) working withPascal Manuel and Dmitry Khalyavin, Wish instrumentscientists, and Jeff Keeping and Richard Down of the ISISuser support group, to determine the magneticstructures of Er2CoGa8 and Tm2CoGa8. 09EC4179

1000

100

10

1.0

0.1

0.01

0.1 1000

100

10

0.01

0.001

Time (s)Q (Å-1)

I(Q) /

cm

-1

NimrodNimrod has been developed foratomic-resolution structuralcharacterisation of liquid anddisordered material systems on asingle continuous measurementlength scale up to tens ofnanometres. The instrument is builtaround a pixellated small angledetector bank that consists of 756neutron scintillation elements, fibre-coupled to an array of 120photomultiplier tubes. This arraycovers scattering angles of 0.5°-2.2°,which in combination with theinstrument’s wider angle detectormodules, allow Nimrod to access aQ-range from 0.02Å-1 to 50Å-1 givinga structural resolution of 0.1Å out tolength scales of 300Å. Thisperformance is unique in the world.

Beau Webber (University of Kent, right) wasthe first user on Nimrod. He is seen herewith Daniel Bowron and Alan Soper (ISIS)during their experiment to study the wallstructure of pores in templated silcas.09EC3548

LETLET has completed the commissioning of all sevendisk choppers, and 4 detector panels out of thefinal detector complement of 12. The massive 4 mlong detectors perform excellently with a 20 mmposition resolution along the length and very lowbackground noise. The first inelastic measurements,performed in May 2010, confirmed the top classperformance in good agreement with simulations.

▲ LET measurements of excitations in the Fe8 single moleculemagnet demonstrating the instrumental resolution.Science

with Second Target Station instruments

▼

▲

0

2

4

6

8

10

12

14

16

18

-0.1 0 0.1 0.2 0.3Energy (meV)

Inte

nsity

0.4 0.5 0.6

18 µeVresolution

29

ISIS2010


28

10–4

10–3

0.01

0.1

1.0

0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.9 0.9 1.0

S (Q

.ω)

Energy transfer ΔE=E1–E2 (meV)

125:1 (Mica006, 2006)500:1 (Mica006, 2010)4000:1 (PG002, 2010)

EMU UpgradeThis year has seen a significant upgrade to the EMUmuon spectrometer. EMU has been given a newdetector array, with three times the number ofdetector elements providing significant improvementsin data rates. It also has enhanced performance forsmall samples, and is now equipped for dilutionrefrigerator use. The new instrument has beencommissioned and is performing extremely well.

The refurbished EMU instrument provides three times theprevious data rate together with other experimentimprovements.

PolarisPolaris will be completely upgraded during the ISIS 2010long shutdown. When complete, its 38 modules of fibre-coupled scintillation detectors will contain some400,000 m of fibre optic light guide and will give Polaris again of up to a factor of 20 in count rate. Manufacture ofthe main vacuum tank at Cadinox has been completed,and production of the Debye-Scherrer collimator iscurrently underway at RAL.

▲ The upgraded Polaris will have a primary flight path of 14 m. Thirtyeight detector modules will give a total coverage of ~44% of themaximum possible solid angle.

Iris detector upgrade The detector bank upgrade on the Iris spectrometer wassuccessfully completed in May this year. Following theinstallation and commissioning of the detector manifold forthe pyrolytic graphite bank in March 2008, the upgrade ofthe detectors for the mica bank is now also finished. Iris isnow equipped with state-of-the-art detector electronics andnew photomultiplier manifolds with μ-metal shielding toavoid stray field interference from magnet operation onOsiris. We see a much increased detector stability, a strongreduction in stray fields and, in the case of the Mica bank,significant improvements in signal to noise.

PearlDuring the long 2010 ISIS shutdown the high pressureneutron diffraction facility, Pearl, will undergo a majorupgrade. The aim is to provide the option of tuning theresolution of the diffraction data while maintaining as largeas possible d-spacing range. To this end the full detectorcompliment is being replaced with a new design of ZnSscintillator detector developed in collaboration with Spain.The secondary flight path is being slightly increased and,combined with the new detectors, this will improve theresolution and the counting stability of the instrument. Inaddition, a new incident beam collimation system is beinginstalled which will enable neutron flux to be traded for afurther increase in resolution. This project is being funded bythe Spanish government and being designed and constructedby ISIS in partnership with AVS and Scientifica in Spain.

First users on HiFi

▲ Helen Jarvie (Centre for Hydrology and Ecology), Steve King (ISIS), pictured here,and Jayne Lawrence (King’s College London) have been looking at the behaviourof man-made nanoparticles in sewage treatment processes. Because sewagecontains potentially harmful bacteria and viruses, ISIS engineers designed andconstructed a robust hermetically-sealed containment vessel for the LoQ smallangle neutron scattering experiment. 09EC3847

in instruments and techniques

Advances

HiFi is the new ISIS high-field muon spectrometer.The instrument opens up new possibilities for muonstudies at ISIS by providing an order of magnitudeincrease in applied field (up to 5T) compared withexisting ISIS muon spectrometers. HiFi took four yearsto design and build. It is based around a state-of-the-art superconducting split-pair magnet that is cryogen-free and has very high field homogeneity. The

instrument is now fully available to the ISIS userprogramme.

First users on the HiFi muon instrument. (left to right)Dr Alan Drew, Dr Laura Nuccio, Leander Schulz,Maureen Willis (Queen Mary University of London)and Dr Iain McKenzie (ISIS) using the instrument toexplore spin scattering processes in organic materialsrelevant to spintronics. 09EC3991

▼

▲ Iris results from a vanadium calibration standardfor the new mica detector bank, showingimproved signal-to-noise and resolution.

▼ Olatz and Natxo Carrera with the Pearl 90° detector in production at Scientifica, Deba, Spain.

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31

ISIS2010


30

Polarised NeutronsThe ISIS polarisation group is on course to deliver polarisedneutron capability on both the LET and Wish instruments.This year saw the construction of the LET polariser andanalysis systems, and the LET spin-filter cells, designed toreduce background contamination, are in production. Acompact polariser and analyser insert has been constructedfor use on Wish. Tests on the Wish beamline showed thedevice to be working well,with a 3He spin-relaxationtime of 82 hours. When thenew ISIS 3He optical pumpingstation is delivered early in2011, we will be in a positionto run wide-angle neutronpolarization analysisexperiments on both LET andWish, adding a newdimension to the ISISinstrument suite.

BiolabsISIS houses two biologyLaboratories, one in eachtarget station. Both labsprovide basic biochemical,biological and biophysicalfacilities. They are equippedwith general lab equipmentas well as several morespecialised instruments.

Luke Clifton (ISIS) prepares for studies of bacterialmembranes on Polref in an ISIS biolab. 10EC1962

High fields and low temperaturesThe combination of high magnetic field and ultralow temperatures isindispensable for a broad range of neutron scattering experiments.However, problems with the global helium supply have raisedsignificant concerns about the affordability of conventionalcryogenic equipment. Oxford Instruments, in collaboration withISIS, have designed, produced and tested 9T and 14Tsuperconducting magnets which can becombined with a dilution refrigeratorproducing a base temperature of 60 mK.The systems can be operated continuouslywith zero helium boil-off. This significantlyreduces liquid helium consumption as wellas having operational simplicity. The twomagnets have been used on Wish andMerlin.

Oleg Kirichek (ISIS) with the newsuperconducting magnet systems.08EC3821

Advancesin instruments and techniques

As ISIS instruments become more complex and capableof taking increasingly large data sets in a single run oracross multiple runs, so tools for handling data alsoneed to grow accordingly. ISIS has ongoing projects toensure that software for data reduction and analysiskeeps pace with instrument hardware developments.

Mantid is an open-source, multiplatform project forneutron data reduction, analysis and visualisation. Thepackage supports an increasing number of ISISinstruments, soon to include all Crystallographyinstruments and progressively the instruments of theExcitations Group. It will eventually be used for all ISISinstruments. ISIS staff are working with developers fromTessella on the project, which now consists of morethan 260,000 lines of code. Recently an agreementhas been signed with the US Spallation NeutronSource for joint Mantid development – doubling thesize of the development team. Mantid supportsdata reduction for the time-of-flightdiffractometer EXED at the Helmholtz ZentrumBerlin, and the Institut Laue Langevin in Franceis also considering piloting Mantid over thenext year.

A major sub-project within Mantid is thedevelopment of multi-dimensional visualisationsoftware for inelastic and diffraction data. Exploring fourdimensional data sets from the Merlin instrument, whichcan be as large as 100GB, is a challenge, and is one thatis set to become greater as instruments such as LET andWish come online. Capabilities will be built into Mantidto visualise such massive datasets using establishedopen-source libraries that take advantage of multi-coreand distributed computing environments. Model fittingof inelastic scattering data will also be integrated intothe Mantid framework, allowing users to fit their ownmodels or select from a models library.

Merlin data showing excitations inYBaCo4O7. The image shows a 3d plot atfixed energy extracted from the original4d dataset.

▲ Data visualisation on Offspec using Mantid

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Software

0

50

100

150

200

250

300x10-6

0 5 10 15 20 25 30

Time (hours)

T1 of 3He Spin filter cell ‘Billy’ = 82 ± 7 hours

NM

R si

gnal

am

plitu

de (v

olts

)

▲ The polarisation analysis insert beinglowered into the Wish sample tank.

Plot showing a relaxation time of82 hours for the 3He cell in the Wish sample tank.

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3332

The ISIS Controls group. The group are responsiblefor monitoring and controlof the many thousands ofcomponents that are neededto keep the ISIS acceleratorsrunning. Work this year hasincluded integration ofLabView diagnostics into thecontrols systems. 10EC2804

ISIS2010


Accelerator and Target

News

▲ Jim Ellis (ISIS) is monitoring powersupplies for EPB2 magnets.09EC1453

The Second Target Station extractedproton beamline (EPB2) transportsprotons from the ISIS synchrotron tothe Second Target Station hall.Steve Jago (ISIS) is seen here withquadrupole magnets for the EPB2line which he designed. 09EC1819

Bryan Jones and Sarah Whitehead of the ISISDiagnostics group, pictured here in the ISIS controlroom, were awarded first prize in a competition run byNational Instruments for their paper describing theirwork on ISIS synchrotron diagnostics. A highlight onSarah and Bryan’s work can be found on page19.09EC3834

The Electrical Engineering groupdeal with all the power suppliesand motors required to drive ISIS.The group are presently takingdelivery of and testing over ninetynew power supplies for thesynchrotron and extracted protonbeam to target station 1. Heregroup members are seen with oneof twelve new energy storagechokes for the synchrotron mainmagnet power supply. 08EC3909

Simulations of the ISISinjection regionshowing the H– beamhitting the stripping foiland the trajectories of theresulting H+, H0 and H–

beams. The H0 and H– areintercepted by a beam dumpwhile the H+ proceed into thesynchrotron. Such simulationsare needed for studies of possibledevelopments of ISIS, includingincreasing the injection energyinto the synchrotron to provideoverall increases in ISIS protonpower.

▲ Alan Letchford, leader of the Linear Accelerator group at ISIS, hasbeen promoted to STFC Fellow in recognition of his internationalexcellence in the field of accelerator engineering. He is seen herewith the ISIS Front End Test Stand, a facility designed to demonstratekey technologies for the initial stage of the next generation of highpower pulsed proton accelerators. 10EC2882

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▲ Development of beam profile monitors (using arraysof miniature electron multipliers) has been an activeresearch area at ISIS over the last few years. Thesemonitors, which are located in the ISIS acceleratorring, are able to capture a profile of the proton beamon a microsecond timescale. The profile monitor datahere shows a 3D display of the beam profile evolutionover the full 10ms accelerator cycle.

▼

Small Angle ScatteringConference held in OxfordSAS-2009, the XIV IUCr International Conference on Small-Angle Scattering (SANS) was jointly organized by the ISISSANS team and their counterparts from Diamond under thechairmanship of Steve King and Nick Terrill. A total of 434delegates from 32 different countries attended. A vast rangeof science and technology was presented in 10 plenarypresentations, 144 contributed oral presentations and 308posters, testament to the continuing broad appeal of small-angle scattering as a technique.

▲ Delegates at SAS-2009 listening to talks at the Examination Schoolsin Oxford. 09EC3270

34

Attendees at theDisordered MaterialsData AnalysisWorkshop held inMarch at TheCosener’s House.10EC1774

Students on theneutron trainingcourse preparingsamples for areflectometryexperiment.10EC2800

▼ Students on the ISIS muontraining course viewing thenew Chronus spectrometer onthe RIKEN-RAL muon facility.10EC2151

▼ Attendees at the one day workshop onStrongly Correlated and InteractingElectron Systems organised by ISIS andheld at The Cosener’s House in January.10EC1083

Muon Training SchoolISIS also runs a muon training school to givepostgraduate and postdoctoral students practicalexperience in running muon experiments. The coursealso includes lectures and workshops in the principlesand applications of the technique given by experts inthe field. This year, 18 students from nine countriescame to ISIS for six days in May. Each had theopportunity of running two experiments on the ISISmuon instruments.

Daniel Bowron (ISIS) discussing solutionchemistry with Prof Ryoki Noyori,President of RIKEN and Nobel Laureate inChemistry, during Prof Noyori’s visit tosign a new agreement between ISIS andRIKEN for muon science. 10EC2451

Prof Ken Nagamine wasinstrumental in creating theRIKEN-RAL muon facility atISIS. Here he is leading thetoast to celebrate 20 years ofsuccessful collaboration andthe further renewal of theRIKEN-RAL agreement.10EC2497

Neutron Training CourseThe ISIS Neutron Training Course took place in May. Thecourse is designed to provide practical experience ofsetting up and running neutron scattering experiments ona wide range of instruments at ISIS, and is aimed atresearchers new to neutron science. 24 students and post-docs took part in the course. The 8-day event includedpracticals on Engin-x, HRPD, Merlin and other instruments,plus the first use of the new LET spectrometer on theSecond Target Station.

ISIS People

Congratulations to Harry Jones, Project Managerfor the ISIS Second Target Project, who wasawarded an MBE in Her Majesty the Queen’sNew Year Honours List. “No-one could deservethis award more than Harry Jones,” said ISISDirector Andrew Taylor. “His contribution todelivering this world-leading project wasabsolutely key. Just as importantly, throughouthis career Harry has developed and mentoredsuccessive generations of young engineers,contributing to the engineering skills base notonly in this laboratory but more widely acrossthe different sectors of UK industry wheremany of them now work.”

Congratulations are also due toAndrew Taylor, ISIS Director,who was awarded an HonoraryDegree of Doctor of Sciencefrom the University of Glasgowin recognition of the majorcontributions he has made inChemistry and Physics.

35

ISIS2010


Harry Jones MBEinside the ISISSecond TargetStation. 10EC1309

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A year around ISIS


36

ISIS regularly takes workexperience pupils, who come forup to two weeks to learn aboutthe world of work and getvaluable experience working in alarge science facility. Here wesee Matthew Izzard from KingAlfred's School, Wantage,working with a design for ashutter lift mechanism for theSecond Target Station. 10EC2689

37

Inspiring the next generation of scientists!

ISIS2010

▼ Pupils from Didcot Girls Schoollearning about superconductivity atISIS as part of a schools ‘triplescience conference’ in January.10EC1175

A teacher training weekend was held atISIS in July. Participants learned aboutscience at ISIS and its relevance toscience in schools. Here we see themduring a tour of the ISIS Second TargetStation. 10EC2728

A Particle Physics Masterclass for around400 sixth form students is held every yearat RAL. Here, students from Tiffin Schoolfor boys, Kingston upon Thames, are beingshown ISIS by Adrian Hillier (ISIS).10EC1460

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▼ Pupils from MarlingSchool, Stroud,visited ISIS inFebruary withFrench exchangestudents they werehosting. 10EC1292

ISIS held a ‘friends andfamily’ afternoon inJanuary. Five hundredvisitors were able tolearn about ISIS andsee what their ISISfriends or familymembers get up to intheir work at thefacility. 10EC1138,

10EC1140

▼ ISIS staff helped Harwell Primary School Year 6 pupils to build anelectric car. Here we see the ISIS and school team followingassembly of the car in July, together with pupils visiting the ISISSecond Target Station with Chris Frost (ISIS). 10EC2653, 10EC2424

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38 39

ISIS2010


There are seven ISIS FAPs covering the variety ofscience areas studied by neutrons and muons. EachFAP consists of experts in their subject field from theinternational research community. The FAPs meetroughly six weeks after each ISIS proposal deadline.They rigourously review all proposals received basedon their scientific merit and timeliness.

Colin Pulham(Edinburgh University)preparing Pearl for ahigh-pressure studyof monovalentbifluorides. 10EC2596

▲ Samantha Ford (ILL, Grenoble)and Ivana Evans (DurhamUniversity) exploring pressureeffects on proton migration in3,5-pyridinedicarboxylic acidon SXD. 10EC2554

▼ Sarah Norman and TristanYoungs (Queens UniversityBelfast) in the ISIS SecondTarget station during Nimrodstudies of atomic and mesoscalestructural correlations in 1-alkyl-3-methylimidazoliumionic liquids. 10EC2527

Helen Playford (WarwickUniversity) using GEM toexamine structuralmodels of gallium oxidepolymorphs. 10EC2514

Stuart Hunter (Glasgow University)studying anion transfer catalysisternary molybdenum carbonitrideson Polaris. 10EC2535

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Bella Lake (Helmholtz Centrum Berlin)and Toby Perring (ISIS) studyingExcitations proposals. 09EC4266

Rod Macrae (Marian College,USA) and Ray Osborn(Argonne NationalLaboratory, USA)during the Muon FAP meeting. 09EC4276

▲ Crystallography FAP members: Duncan Gregory(Glasgow University), John Claridge (LiverpoolUniversity), Peter Slater (Surry University) andLawrence Falvello (Universidad de Zaragoza).09EC4281

Milva Celli (Istituto dei Sistemi Complessi) ofthe Disordered Materials FAP. 09EC4296

Jon Goff (RoyalHolloway and BedfordNew College) duringLarge Scale StructuresFAP discussions.09EC4235

▲ The Large Scale StructuresFAP at work. 09EC4225

▲ Howard Stone(Cambridge University)discussing Engineeringproposals. 09EC4246

Chris Hardacre (Queen’s University Belfast)chairing the Disordered Materials FAP.09EC4292

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Users at workISIS Facility Access Panels (FAPs)

41

ISIS2010

ISIS Publications2009-2010

40


Publications relate toall work carried out atISIS. Listed here are345 publicationsresulting from work atthe facility that havebeen published sinceISIS 2008.

Vincent Legrand (Rennes University, France)employing Engin-x for in-situ internal strainmeasurements in textured austenitic steelunder strain-path changes. 10EC2560

▼ ISIS Publications2009-2010

43

ISIS2010


42

B Abbey, S Zhang, W Vorster andA Korsunsky

Feasibility study of neutron straintomography

Mesomechanics 1 185 (2009)

I Abrahams, X Liu, S Hull, ST Norberg,F Krok, A Kozanecka-Szmigiel,MS Islam and SJ Stokes

A combined total scattering andsimulation approach to analysingdefect structure in Bi3YO6

Chemistry of Materials 22 15 4435(2010)

M Acar, P Bouchard, JQ de Fonseca,M Fitzpatrick and S Gungor

Intergranular strains in pre-strained and welded pipes

5th International Conference onMechanical Stress Evaluation byNeutron and Synchrotron Radiation(2009)

M Adam

An investigation of hydrogenbonded molecular systems usingX-ray and neutron diffraction

Thesis (2009)

M Adam, M Gutmann, C Leech,D Middlemiss, A Parkin, L Thomasand C Wilson

Stability and cooperativity ofhydrogen bonds indihydroxybenzoic acids

New Journal of Chemistry 34 85-91(2010)

D Adams, B Jones, S Payne, B Pineand R Williamson

Studies of space charge lossmechanisms associated with halfinteger resonance on the ISIS RCSS

Particle Accelerator Conference (2009)

D Adroja, A Hillier, P Deen, A Strydom,Y Muro, J Kajino, W Kockelmann,T Takabatake, V Anand and JAT Stewart

Long-range ordering of reducedmagnetic moments in the spin-gapcompound CeOs2Al10 as seen viamuon spin relaxation and neutronscattering

Physical Review B 82 104405 (2010)

I Ahmed, S Rahman, P Steegstra,S Norberg, S Eriksson, E Ahlberg,C Knee and S Hull

Effect of co-doping on protonconductivity in perovskite oxides BaZr0.9In0.05M0.05O3-δ(M = Yb3+ or Ga3+)

International Journal of HydrogenEnergy 35 6381-6391 (2010)

H Alberto, A Weidinger, R Vilao,J Duarte, J Gil, N de Campos, J Lordand S Cox

Muonium as a probe of electronspin polarisation in CdTe

Physica B Condensed Matter 4045110-5112 (2009)

H Alberto, A Weidinger, R Vilao,J Duarte, J Gil, J Lord and S Cox

Mechanisms of electronpolarisation of shallow muoniumin CdTe and CdS

Physical Review B 81 (2010)

S Alessandroni, A Paradowska,EP Cippo, R Senesi, C Andreani,P Montedoro, F Chiti, D Sala, D Spinelliand C Mannini

Investigation of residual stressdistribution of wheel rims usingneutron diffraction

8th European Conference on ResidualStresses (2010)

G Alexander, S King, R Richardson andH Zimmermann

Determination of the translationalorder parameter for smectic liquidcrystals using small-angle neutronscattering

Liquid Crystals 37 961-968 (2010)

D Allan, W Marshall, D Francis,I Oswald, C Pulham and C Spanswick

The crystal structures of the low-temperature and high-pressurepolymorphs of nitric acid

Dalton Transactions 39 3736-3743(2010)

H Al-Obaidi, M Bowes, M Lawrence,A Drake, M Green and P Dobson

Fate of silica nanoparticles insimulated primary wastewatertreatment

Environmental Science & Technology 438622-8628 (2009)

DC Arnold, KS Knight, G Catalan,SAT Redfern, JF Scott, P Lightfoot andFD Morrison

The beta-to-gamma transition inBiFeO3: a powder neutrondiffraction study

Advanced Functional Materials 20 132116-2123

M Bacci, M Picollo and D Colognesi

The vibrational spectroscopy ofIndigo: a reassessment

Vibrational Spectroscopy 50 268-276(2009)

T Baikie, S Pramana, C Ferraris,Y Huang, E Kendrick, K Knight,Z Ahmad and T White

Polysomatic apatites

Acta Crystallographica Section BStructural Science 66 1-16 (2010)

P Baker, I Franke, T Lancaster,S Blundell, L Kerslake and S Clarke

Two-dimensional magnetism in thepnictide superconductor parentmaterial SrFeAsF probed by muon-spin relaxation


P Baker, S Giblin, F Pratt, R Liu, G Wu,X Chen, M Pitcher, D Parker, S Clarkeand S Blundell

Heat capacity measurements onFeAs-based compounds: athermodynamic probe ofelectronic and magnetic states

New Journal of Physics 11 (2009)

P Baker, T Lancaster, I Franke, W Hayes,S Blundell, F Pratt, P Jain, Z Wang andM Kurmoo

Muon spin relaxation investigationof magnetic ordering in the hybridorganic-inorganic perovskites[(CH3)2NH2] M(HCOO)3(M=Ni,Co,Mn,Cu)


P Baker, H Lewtas, S Blundell,T Lancaster, I Franke, W Hayes, F Pratt,L Bohaty and P Becker

Muon-spin relaxation and heatcapacity measurements on themagnetoelectric and multiferroicpyroxenes LiFeSi2O6 and NaFeSi2O6


J Ballin, J Crooks, P Dauncey, B Levin,M Lynch, A Magnan, Y Mikami,O Miller, M Noy, V Rajovic, M Stanitzki,K Stefanov, R Turchetta, M Tyndel,E Villani, N Watson and J Wilson

A MAPS-based readout for a Tera-Pixel electromagnetic calorimeterat the ILC

Nuclear Physics B – ProceedingsSupplements 342-345 (2009)

M Barbagallo, N Hine, J Cooper,N Steinke, A Ionescu, C Barnes,C Kinane, R Dalgliesh, T Charlton andS Langridge

Experimental and theoreticalanalysis of magnetic momentenhancement in oxygen-deficientEuO


A Barbour, M Telling and J Larese

Investigation of the behavior ofethylene molecular films usinghigh resolution adsorptionisotherms and neutron scattering

Langmuir 26 8113-8121 (2010)

A Barcza, Z Gercsi, K Knight andK Sandeman

Giant magnetoelastic coupling in ametallic helical metamagnet

Physical Review Letters 104 (2010)

E Barney, A Hannon and D Holland

A multi-technique structural studyof the tellurium borate glass system

Physics and Chemistry of Glasses –European Journal of Glass Science andTechnology Part B 50 156-164 (2009)

L Bartoli, F Civita, A Paradowska,A Scherillo and M Zoppi

Nondestructive characterisation ofphase distribution and residualstrain/stress map of two ancient(Koto) age Japanese swords

Materials Science Forum 652 167-173(2010)

J Bateman, R Dalgliesh, D Duxbury,S Holt, D McPhail, A Marsh, N Rhodes,E Schooneveld, E Spill andR Stephenson

The FastGas detector

Nuclear Instruments and Methods inPhysics Research Section A AcceleratorsSpectrometers Detectors and AssociatedEquipment 616 59-64 (2009)

AMT Bell, KS Knight, CMB Hendersonand AN Fitch

Revision of the structure ofCs2CuSi5O12 leucite asorthorhombic Pbca

Acta Crystallographica Section B-Structural Science 66 51-59 (2010)

CG Bell, CJW Breward, PD Howell,J Penfold and RK Thomas

A theoretical analysis of thesurface tension profiles of stronglyinteracting polymer-surfactantsystems

Journal of Colloid and Interface Science350 2 486-493 (2010)

T Bennett, A Goodwin, M Dove,D Keen, M Tucker, E Barney, A Soper,E Bithell, J Tan and A Cheetham

Structure and properties of anamorphous metal-organicframework


P Berastegui, S Hull and S Eriksson

A high temperature superionicphase of CsSn2F5

Journal of Solid State Chemistry 183373-378 (2010)

P Mendels and F Bert

Quantum Kagome antiferromagnetZnCu3(OH)6Cl2Journal of the Physical Society of Japan79 011001 (2010)

S Betouras, J Carr and J Quintanilla

Deconfinement and quantum liquidcrystalline states of dipolarfermions in optical lattices

International Journal of Modern PhysicsB 23 4074-4086 (2009)

H Billetter, T Wallraff, U Schwarz,RI Smith and U Ruschewitz

Ternary transition metal acetylidesA(2)(I)M(0)C(2) (A(I) = K, Rb; M-0 =Pd, Pt): neutron diffraction studiesand electronic properties

Zeitschrift Fur Anorganische UndAllgemeine Chemie 636 9-10 1834-1838 (2010)

P Biswas, G Balakrishnan, D Paul,C Tomy and MLA Hillier

Muon-spin-spectroscopy study ofthe penetration depth ofFeTe0.5Se0.5


G Blake, A Nugroho, M Gutmann andT Palstra

Competition between Jahn-Tellercoupling and orbital fluctuationsin HoVO3


M Bloksma, S Rogers, U Schubert andR Hoogenboom

Secondary structure formation ofmain-chain chiral poly(2-oxazoline)s in solution

Soft Matter 6 994-1003 (2010)

S Blundell, T Lancaster, F Pratt,P Baker, W Hayes, J Ansermet andA Comment

Phase transition in the localisedferromagnet EuO probed by muSR


H Bordeneuve, C Tenailleau,S Guillemet-Fritsch, R Smith, E Suardand A Rousset

Structural variations and cationdistributions in Mn3-xCoxO4(0 =< x =< 3) dense ceramics usingneutron diffraction data

Solid State Sciences 12 379-386 (2010)

L Bove, S Klotz, A Paciaroni andF Sacchetti

Anomalous proton dynamics in iceat low temperatures


L Bove, S Klotz, A Paciaroni andF Sacchetti

Concerted proton tunelling inordinary ice

Notiziario Neutroni e Luce diSincrotrone 15 4-11 (2010)

D Bowron

Comprehensive structuralmodelling of aqueous solutionsusing neutron diffraction and X-ray absorption spectroscopy

14th International Conference on X-RayAbsorption Fine Structure (XAFS14),Journal of Physics ConferenceProceedings 190 (2009)

D Bowron, C D’Agostino, L Gladden,C Hardacre, J Holbrey, M Lagunas,J McGregor, M Mantle, C Mullan andT Youngs

Structure and dynamics of 1-ethyl-3-methylimidazolium acetate viamolecular dynamics and neutrondiffraction

The Journal of Physical Chemistry B 1147760-7768 (2010)

D Bowron, A Soper, K Jones, S Ansell,S Birch, J Norris, L Perrott, D Riedel,N Rhodes, S Wakefield, A Botti,M Ricci, F Grazzi and M Zoppi

NIMROD: the Near andInterMediate Range OrderDiffractometer of the ISIS secondtarget station

Review of Scientific Instruments 81 (2010)

J Bradley, A Lang, P Lindenbaum,C Neylon, A Williams and E Willighagen

Beautifying data in the real world

Beautiful Data 259-278 (2009)

S Bramwell, S Giblin, S Calder, R Aldus,D Prabhakaran and T Fennell

Measurement of the charge andcurrent of magnetic monopoles inspin ice

Nature 461 956-U211 (2009)

M Brogan, R Hughes, R Smith andD Gregory

Structural and compositionaltuning of layered subnitrides; newcomplex nitride halides

2010 Dalton Transactions 39 7153-7158 (2010)

MA Brogan, RW Hughes, RI Smith andDH Gregory

Structural and compositionaltuning of layered subnitrides; newcomplex nitride halides

Dalton Transactions 39 30 7153-7158(2010)

C Bull, M Guthrie, R Nelmes,J Loveday, H Hamidov and M Gutmann

Low-temperature neutron single-crystal diffraction studies ofsamples grown at high pressure

International Journal of High PressureResearch 29 644-648 (2009)

C Bull, M Guthrie, R Nelmes,J Loveday, K Komatsu, H Hamidov andM Gutmann

Time-of-flight single-crystal neutrondiffraction to 10GPa and above


DJ Bull, E Weidner, IL Shabalin,MTF Telling, CM Jewell, DH Gregoryand DK Ross

Pressure-dependent deuteriumreaction pathways in the Li-N-Dsystem

Physical Chemistry Chemical Physics 129 2089-2097 (2010)

A Bungau, R Cywinski and J Lord

Geant4 simulations of the ISISmuon target at RutherfordAppleton Laboratory

23rd Particle Accelerator Conference(2009)

A Bungau, R Cywinski and J Lord

Development and optimisation ofthe muon target at the ISIS-RALMuon Facility


A Bungau, R Cywinski, J Lord, P King,M Poole, S Smith, R Barlow,PD d Reotier, F Pratt, R Edgecock,K Clausen, T Shiroka and et al

Exploring the feasibility of a standalone muon facility for MUSRresearch


R Burton, E Ferrari, R Davey, J Finneyand D Bowron

Relationship between solutionstructure and phase behavior: aneutron scattering study ofconcentrated aqueoushexamethylenetetramine solutions


R Burton, E Ferrari, R Davey, J Finneyand D Bowron

Relationship between solutionstructure and phase behavior: aneutron scattering study ofconcentrated aqueoushexamethylenetetramine solutions

Journal of Physical Chemistry B 1135967-5977 (2009)

S Calder, T Fennell, W Kockelmann,G Lau, R Cava and S Bramwell

Neutron scattering and crystalfield studies of the rare earthdouble perovskite Ba2ErSbO6

Journal of Physics Condensed Matter 22(2010)

S Calder, X Ke, F Bert, A Amato,C Baines, C Carboni, R Cava, A Daoud-Aladine, P Deen, T Fennell, A Hillier,H Karunadasa, J Taylor, P Mendels, P Schiffer and S Bramwell

Magnetic properties of Ba2HoSbO6with a frustrated lattice geometry


C Candolfi, J Leszczynski,P Masschelein, C Chubilleau, B Lenoir,A Dauscher, E Guilmeau, J Hejtmanek,SJ Clarke and RI Smith

Crystal structure and high-temperature thermoelectricproperties of the Mo3-xRuxSb7compounds

Journal of Electronic Materials 39 92132-2135 (2010)

MA Carpenter, REA McKnight,CJ Howard and KS Knight

Symmetry and strain analysis ofstructural phase transitions inPr0.48Ca0.52MnO3


S Carretta, P Santini, G Amoretti,T Guidi, Y Qiu, J Copley, G Timco,C Muryn and R Winpenny

Rotational bands in openantiferromagnetic rings: a neutronspectroscopy study of Cr8Zn


B Carroll, R Lichti, Y Celebi, K Chow,P King and I Yonenaga

Evidence for a shallow muoniumacceptor state in Ge-rich Cz-Si1-xGex

Physica B Condensed Matter 404 5113-5116 (2009)

Y Celebi, R Lichti, H Bani-Salameh,A Meyer, B Carroll, J Vernon, P Kingand S Cox

Muonium transitions in 4H siliconcarbide

Physica B-Condensed Matter 404 845-848 (2009)

M Chambrier, R Ibberson andF Goutenoire

Structure determination of alpha-La6W2O15


L Chapon

Origin of the long-wavelengthmagnetic modulation in Ca3Co2O6


A Chiba, M Tomomasa, S Bennington,A Hannon and K Tsuji

Pressure-induced suppression ofthe Peierls distortion of liquid Asand GeX (X=S,Se,Te)


H Choo, P Liaw, E Oliver andA Paradowska

In situ neutron diffraction study ofinternal strain evolution around acrack tip under variable-amplitudefatigue-loading conditions

Scripta Materialia 60 866-869 (2009)

O Ciftja and J Quintanilla

Effective interaction potentials inthe uppermost Landau level

Journal of Low Temperature Physics 159189-192 (2010)

EP Cippo, A Borella, W Kockelmann,A Pietropaolo, H Postma, N Rhodes,P Schillebeeckx, E Schooneveld,M Tardocchi, R Wynants and G Gorini

A detector system for NeutronResonance Capture Imaging

Nuclear Instruments and Methods inPhysics Research Section A AcceleratorsSpectrometers Detectors andAssociated Equipment 623 693-698(2010)

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J Claridge, H Hughes, C Bridges, M Allix,M Suchomel, H Niu, X Kuang,M Rosseinsky, N Bellido, D Grebille,O Perez, C Simon, D Pelloquin,S Blundell, T Lancaster, P Baker, F Pratt and P Halasyamani

Frustration of magnetic andferroelectric long-range order inBi2Mn4/3Ni2/3O6

Journal of the American ChemicalSociety 131 14000-14017 (2009)

R Coldea, D Tennant, E Wheeler,E Wawrzynska, D Prabhakaran,M Telling, K Habicht, P Smedibidl andK Kiefer

Quantum criticality in an Isingchain: experimental evidence foremergent E 8 symmetry

Science 327 177-180 (2010)

F Coneri, S Sanna, K Zheng, J Lord andR de Renzi

Magnetic states of lightly hole-doped cuprates in the clean limitas seen via zero-field muon spinspectroscopy


R Cortes-Gil, D Parker, M Pitcher,J Hadermann and S Clarke

Indifference of superconductivityand magnetism to size-mismatchedcations in the layered ironarsenides Ba1-xNaxFe2As2

Chemistry of Materials 22 4304-4311(2010)

M Cote, T Nicholls, D Knight, I Morgan,P Rogueda, S King, R Heenan andP Griffiths

Self-assembling chiral gelators forfluorinated media

Langmuir 25 8678-8684 (2009)

S Cox

Muonium as a model for interstitialhydrogen in the semiconductingand semimetallic elements

Reports on Progress in Physics 72 (2009)

F Damay, C Martin, V Hardy,A Maignan, G Andre, K Knight, S Giblin and L Chapon

Zigzag ladders with staggeredmagnetic chirality in the S=3/2compound beta-CaCr2O4


A Daoud-Aladine, B Kundys, C Martin,P Radaelli, P Brown, C Simon andL Chapon

Multiferroicity and spiralmagnetism in FeVO4 withquenched Fe orbital moments


V de Haan, J Plomp, T Rekveldt,W Kraan, A van Well, R Dalgliesh andS Langridge

Observation of the Goos-HanchenShift with Neutrons


M de Vries, A McLaughlin and J-W Bos

Valence bond glass on an fcclattice in the double perovskiteBa2YMoO6

Physical Review Letters 104 177202(2010)

P Deen, A Strydom, S Paschen,D Adroja, W Kockelmann and S Rols

Quantum fluctuations and themagnetic ground state of Ce3Pd20Si6Physical Review B 81 (2010)

F Demmel, S Howells, C Morkel andW Pilgrim

Slow dynamics in liquid metals asseen by QENS

Zeitschrift fur Physikalische Chemie-International Journal of research inPhysical Chemistry & Chemical Physics224 83-99 (2010)

F Demmel, T Seydel and S Jahn

Sodium diffusion in cryolite atelevated temperatures studied byquasielastic neutron scattering

Solid State Ionics 180 1257-1260 (2009)

A Deriu, M di Bari and Y Gerelli

Dynamics of nanostructures fordrug delivery: the potential ofQENS

Z Phys Chem 224 227-242 (2010)

S Diallo, D Pratt, R Fernandes, W Tian,J Zarestky, M Lumsden, T Perring,C Broholm, N Ni, S Bud’ko, P Canfield,H-Li, D Vaknin, A Kreyssig, A Goldmanand R McQueeney

Paramagnetic spin correlations inCaFe2As2 single crystals


D Dini, X Song, S Zhang andA Korsunsky

Residual strain analysis inpolycrystalline aggregates usingdiffraction measurement and finiteelement modelling

Journal of Strain Analysis forEngineering Design 44 55-70 (2009)

D Dobson, IIG Wood, J Brodholt,J Mecklenburgh and E Oliver

Deformation of olivine at 5GPaand 350-900 degrees C

Physics of the Earth and PlanetaryInteriors 172 84-90 (2009)

R Doubble, S Hayden, P Dai, H Mook,J Thompson and C Frost

Direct observation of paramagnonsin palladium


L Dougan, J Crain, JL Finney andAK Soper

Molecular self-assembly in a modelamphiphile system


J Dreiser, O Waldmann, C Dobe,G Carver, S Ochsenbein, A Sieber,H Guedel, J van Duijn, J Taylor andA Podlesnyak

Quantised antiferromagnetic spinwaves in the molecular Heisenbergring CsFe8


A Drew, M Wisemayer, D Heron,S Lister, S Lee, A Potenza, C Marrows,R Dalgliesh, T Charlton and S Langridge

Using spin-polarised neutronreflectivity to probe mesoscopicvortex states in a Pb thin-filmsuperconductor


A Dunbar, P Mokarian-Tabari, A Parnell,S Martin, M Skoda and R Jones

A solution concentrationdependent transition from self-stratification to lateral phaseseparation in spin-cast PS:d-PMMAthin films

The European Physical Journal E-SoftMatter 31 369-375 (2010)

D Dye, J Coakley, V Vorontsov, H Stoneand R Rogge

Elastic moduli and loadpartitioning in a single crystalnickel superalloy

Scripta Materialia 61 109-112 (2009)

J Eastoe, L Hudson, S Gold, R Heenanand I Grillo

Fluorocarbon – hydrocarbonincompatibility in micellarpolymerisations

Journal of Colloid and Interface Science330 437-442 (2009)

K Eblagon, K Tam, K Yu, S Zhao,X Gong, H He, L Ye, L Wang,A Ramirez-Cuesta and S Tsang

Study of catalytic sites onruthenium for hydrogenation of N-ethylcarbazole: implications ofhydrogen storage via reversiblecatalytic hydrogenation

Journal of Physical Chemistry 1149720-9730 (2010)

N Emery, EJ Wildman, JMS Skakle,G Giriat, RI Smith and AC McLaughlin

Giant magnetoresistance inoxypnictides (La,Nd)OMnAs

Chemical Communications 46 36 6777-6779

D Eshchenko, V Storchak, S Cottrelland E Morenzoni

Electric-field-enhancedneutralisation of deep centers inGaAs


A Evans, A Paradowska, T Etter andHV Swygenhoven

Residual strain measurements in amonocrystalline Ni-basedsuperalloy turbine blade usingneutron diffraction

15th International Conference onStrength of Materials (2009)

D Faircloth, M Kronberger, D Kuechler,J Lettry and R Scrivens

Finite element thermal study ofthe Linac4 plasma generator

Review of Scientific Instruments 81(2010)

D Faircloth, S Lawrie, A Letchford,C Gabor, P Wise, M Whitehead,T Wood, M Westall, D Findlay,M Perkins, P Savage, D Lee andJ Pozimski

The front end test stand highperformance H– ion source atRutherford Appleton Laboratory


N Faisal, S Knupfer, A Paradowska,M Fitzpatrick, K Khor and J Cizek

Neutron diffraction residual strainmeasurements in plasma sprayednanostructured hydroxyapatitecoatings for orthopaedic implants


I Fallis, P Griffiths, T Cosgrove,C Dreiss, N Govan, R Heenan, I Holden,R Jenkins, S Mitchell, S Notman,J Platts, J Riches and T Tatchell

Locus-specific microemulsioncatalysts for sulfur mustard (HD)chemical warfare agentdecontamination


F Fernandez-Alonso, F Bermejo andM Saboungi

Molecular hydrogen in carbonnanostructures

Handbook of Nanophysics 5 47119(2010)

J Fernandez-Rodriguez, V Scagnoli,C Mazzoli, F Fabrizi, S Lovesey,J Blanco, D Sivia, K Knight,F de Bergevin and L Paolasini

Experimental evidence of anapolarmoments in the antiferromagneticinsulating phase of V2O3 obtainedfrom X-ray resonant Braggdiffraction


G Festa, A Pietropaolo, E Reali,F Grazzi and E Schooneveld

A gamma-ray detector with asilicon photomultiplier (SiPM)readout for neutron diffractionexperiments at spallation neutronsources

Measurement Science and Technology21 (2010)

F Fillaux, A Cousson and M Gutmann

Evidence of macroscopicallyentangled protons in a mixedisotope crystal of KHpD1-pCO3


D Flannery, B Matthews, T Griffin,J Bicarregui, M Gleaves, L Lerusse,R Downing, A Ashton, S Sufi,G Drinkwater and K Kleese

ICAT: Integrating datainfrastructure for facilitiesbased science

5th IEEE International Conference on e-Science (2009)

A Fortes, I Wood and K Knight

The crystal structure ofperdeuterated methanolhemiammoniate (CD3OD.0.5ND3)determined from neutron powderdiffraction data at 4.2 and 180 K

Journal of Applied Crystallography 43328-336 (2010)

M Francisco, C Malliakas, P Piccoli,M Gutmann, A Schultz andM Kanatzidis

Development and loss offerromagnetism controlled by theinterplay of Ge concentration andMn vacancies in structurallymodulated Y4Mn1-xGa12-yGey


C Frost, S Ansell and G Gorini

A new dedicated neutron facilityfor accelerated SEE testing at theISIS facility

47th Annual Reliability PhysicsSymposium 2009 1 & 2 952-955 (2009)

C de la Fuente, A del Moral, D Adroja,A Fraile and J Arnaudas

Study of 4f hybridization in CeNiXwith X = SnδGe1-δ, 0 <=δ<= 1

Journal of Magnetism and MagneticMaterials 322 1059-1063 (2010)

NP Funnell, A Dawson, D Francis,AR Lennie, WG Marshall, SA Moggach,JE Warren and S Parsons

The effect of pressure on thecrystal structure of L-alanine

Crystengcomm 12 9 2573-2583

C Gabor, D Faircloth, D Lee, S Lawrie,A Letchford and J Pozimski

Diagnostic experiments at a 3MeV test stand at RutherfordAppleton Laboratory (UnitedKingdom)


A Ganin, Y Takabayashi, P Jeglic,D Arcon, A Potocnik, P Baker,Y Ohishi, M McDonald, M Tzirakis,A McLennan, G Darling, M Takata,M Rosseinsky and K Prassides

Polymorphism control ofsuperconductivity and magnetismin Cs3C60 close to the Motttransition

2010 Nature 466 221-U93 (2010)

J Garcia-Munoz, C Frontera, P Beran,N Bellido, J Hernandez-Velasco andC Ritter

Consequences of embedding Ti4+

3d(0) centers in Pr0.50Ca0.50MnO3:Phase competition inPr0.50Ca0.50Mn1-xTixO3


J Gardner, M Gingras and J Greedan

Magnetic pyrochlore oxides

Reviews of Modern Physics 82 53-107(2010)

A Giannasi, D Colognesi, L Ulivi,M Zoppi, A Ramirez-Cuesta, E Bardaji,E Roehm and M Fichtner

High resolution Raman andneutron investigation of Mg(BH4)2in an extensive temperature range

The Journal of Physical Chemistry A 1142788-2793 (2010)

J Gil, J Duarte, R Vilao, H Alberto, N de Campos and S Cox

Spin exchange of muonium in CdS

Physica B-Condensed Matter 404 834-836 (2009)

E Godfrey and W Kockelmann

Neutron-based analytical methodsfor the non-invasivecharacterisation of iron artefacts

International Symposium onArchaeometry (2009)

A Goodwin, F Michel, B Phillips,D Keen, M Dove and R Reeder

Nanoporous structure andmedium-range order in syntheticamorphous calcium carbonate


D Goossens and T Welberry

Approaches to modeling diffusescattering from molecular crystals:Para-Terphenyl (C18H14)

2010 Metallurgical and MaterialsTransactions 411119-1129 (2010)

P Gorria, D Martinez-Blanco andR Smith

Neutron powder thermo-diffractionin mechanically alloyed Fe64Ni36invar alloy

Journal of Alloys and Compounds 495495-498 (2010)

B Gray, A Hector, W Levason, G Reid,M Webster, W Zhang and M Jura

Synthesis, spectroscopic andstructural characterisation ofvanadium(IV) andoxovanadium(IV) complexes witharsenic donor ligands

Polyhedron 29 1630-1638 (2010)

F Grazzi, A Scherillo and M Zoppi

A neutron imaging device forsample alignment in a pulsedneutron scattering instrument


R Gremaud, Z Lodziana, P Hug,B Willenberg, A Racu, J Schoenes,A Ramirez-Cuesta, S Clark, K Refson,A Züttel and A Borgschulte

Evidence for hydrogen transport indeuterated LiBH4 from low-temperature Raman-scatteringmeasurements and first-principlescalculations


P Griffiths, I Fallis, C James, I Morgan,G Brett, R Heenan, R Schweins, I Grilloand A Paul

Structure-property relationships inmetallosurfactants

Soft Matter 6 1981-1989 (2010)

P Griffiths, P Occhipinti, C Morris,R Heenan, S King and M Gumbleton

PGSE-NMR and SANS studies ofthe interaction of model polymertherapeutics with Mucin

Biomacromolecules 11 120-125 (2010)

PC Griffiths, R Nilmini, E Carter,P Dodds, DM Murphy, Z Khayat,E Lattanzio, P Ferruti, RK Heenan,SM King and R Duncan

Interaction of an endosomolyticpolyamidoamine ISA23 withvesicles mimicking intracellularmembranes: a SANS/EPR study

Macromolecular Bioscience 10 8 963-973 (2010)

M Guignard, L Cormier,V Montouillout, N Menguy, D Massiotand A Hannon

Environment of titanium andaluminum in a magnesiumalumino-silicate glass


M Guignard, L Cormier,V Montouillout, N Menguy, D Massiot,A Hannon and B Beuneu

Rearrangement of the structureduring nucleation of a cordieriteglass doped with TiO2


M Gutmann

Accelerated computation ofdiffuse scattering patterns andapplication to magnetic neutronscattering


V d Haan, J Plomp, M Rekveldt, A v Well, R Dalgliesh, S Langridge,A Bottger and R Hendrikx

Coherence approach in neutron, X-ray, and neutron spin-echoreflectometry


V d Haan, J Plomp, T Rekveldt,W Kraan, A v Well, R Dalgliesh andS Langridge

Comment on ‘Observation of theGoos-Hanchen Shift withNeutrons’ Reply


A Hall, J Swenson, D Bowron andS Adams

Structure of LixRb1-xPO3 glassesnear the glass transition


A Hannon, E Barney and D Holland

The structure of tin borate basedglasses

Physics and Chemistry of Glasses –European Journal of Glass Science andTechnology Part B 50 271-283 (2009)

J Haraldsen, M Stone, M Lumsden,T Barnes, R Jin, J Taylor andF Fernandez-Alonso

Spin-lozenge thermodynamics andmagnetic excitations in Na3RuO4


C Hardacre, J Holbrey, C Mullan,M Nieuwenhuyzen, T Youngs,D Bowron and S Teat

Solid and liquid charge-transfercomplex formation between 1-methylnaphthalene and 1-alkyl-cyanopyridiniumbis{(trifluoromethyl)sulfonyl}imideionic liquids

Physical Chemistry Chemical Physics 121842-1853 (2010)

C Hardacre, JD Holbrey, CL Mullan,TGA Youngs and DT Bowron

Small angle neutron scatteringfrom 1-alkyl-3-methylimidazoliumhexafluorophosphate ionic liquids([C(n)mim][PF6], n=4, 6, and 8)

Journal of Chemical Physics 133 7 (2010)

T Headen, C Howard, N Skipper,M Wilkinson, D Bowron and A Soper

Structure of pi-pi interactions inaromatic liquids


A Hill, A Harrison, C Dickinson,W Zhou and W Kockelmann

Crystallographic and magneticstudies of mesoporous eskolaite,Cr2O3

Microporous and Mesoporous Materials280-286 (2010)

A Hillier, P Manuel, D Adroja, J Taylor,A Azad and J Irvine

Probing the superconductingground state near the chargedensity wave phase transition inCu0.06TiSe2

Physical Review 81 (2010)

A Hillman, K Ryder, E Madrid, A Burley,R Wiltshire, J Merotra, M Grau,S Horswell, A Glidle, R Dalgliesh,A Hughes, R Cubitt and A Wildes

Structure and dynamics ofphospholipid bilayer films underelectrochemical control

Faraday Discussions 145 357-379 (2010)

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J Hodges, P Bonville, A Forget,A Yaouanc, P Dalmas de Reotier,X Chaud and S Cottrell

Dynamic correlated Cu(2) magneticmoments in superconductingYBa2(Cu0.96Ni0.04)3Oy (y similar to 7)


M Hollamby, J Eastoe, A Chemelli,O Glatter, S Rogers, R Heenan andI Grillo

Separation and purification ofnanoparticles in a single step

Langmuir 26 6989-6994 (2010)

M Hollamby, J Eastoe, K Mutch,S Rogers and R Heenan

Fluorinated microemulsions asreaction media for fluorousnanoparticles

Soft Matter 6 971-976 (2010)

M Hollamby, K Trickett, A Mohamed,J Eastoe, S Rogers and R Heenan

Surfactant aggregation inCO2/Heptane solvent mixtures

Langmuir 25 12909-12913 (2009)

R Hoogenboom, S Rogers, A Can,C Becer, C Guerrero-Sanchez, D Wouters,S Hoeppener and U Schubert

Self-assembly of doublehydrophobic block copolymers inwater-ethanol mixtures: frommicelles to thermoresponsivemicellar gels

Chemical Communications 5582-5584(2009)

S Hosokawa, F Demmel, W Pilgrim,M Inui, S Tsutsui and A Baron

Acoustic phonons in molten NaI

Electrochemistry 77 608 (2009)

S Hossain, C Truman, A Paradowska,D Hughes, R Wimpory and M Fox

Residual stress in 7449 aluminiumalloy forgings

Materials Science and Engineering A 5272603-2612 (2009)

S Hunter, D McKay, R Smith,J Hargreaves and D Gregory

Topotactic nitrogen transfer:structural transformation in cobaltmolybdenum nitrides


L Ianeselli, F Zhang, M Skoda, R Jacobs,R Martin, S Callow, S Prevost andF Schreiber

Protein-protein interactions inovalbumin solutions studied bysmall-angle scattering: effect ofionic strength and the chemicalnature of cations


RM Ibberson

Design and performance of the newsupermirror guide on HRPD at ISIS


RM Ibberson, A Fowkes, M Rosseinsky,WI David and P Edwards

Structure and Phase Behavior ofthe Expanded-Metal CompoundLi7(ND3)4

Angewandte Chemie InternationalEdition 48 1435-1438 (2009)

Y Ikedo, H Nozaki, M Harada,J Sugiyama, T Sato, Y Matsuo,K Nishiyama, J Lord, Y Qiu and J Copley

Study of hydrogen diffusion insuperprotonic ionic conductors,MHXO4, by muSR and QENS

Nuclear Instruments & Methods inPhysics Research Section a-AcceleratorsSpectrometers Detectors and AssociatedEquipment 600 316-318 (2009)

R Inoue, T Kanaya, K Nishisa,I Tsukushi, M Telling, B Gabrys,M Tyagi, C Soles and W Wu

Glass transition and molecularmobility in polymer thin films

Physical Review E 80 031802 (2009)

H Jarvie, H Al-Obaidi, S King, M Bowes,M Lawrence, A Drake, M Green andP Dobson

Fate of silica nanoparticles insimulated primary wastewatertreatment

Environmental Science & Technology 438622-8628 (2009)

HP Jarvie and SM King

Just scratching the surface? Newtechniques show how surfacefunctionality of nanoparticlesinfluences their environmental fate

Nano Today 5 4 248-250 (2010)

RD Johnson, T Frawley, P Manuel,DD Khalyavin, C Adriano, C Giles,PG Pagliuso and PD Hatton

Magnetic structures of theanisotropic intermetalliccompounds Er2CoGa8 andTm2CoGa8


K Johnston, C Tang, J Parker, K Knight,P Lightfoot and S Ashbrook

The polar phase of NaNbO3: acombined study by powderdiffraction, solid-state NMR, andfirst-principles calculations


R Johnstone, A Lennie, S Parker,S Parsons, E Pidcock, P Richardson,J Warren and P Wood

High-pressure polymorphism insalicylamide

CrystEngComm 12 1065-1078 (2010)

R Kajimoto, S Shamoto, M Arai, A Iyo,K Miyazawa, P Shirage, H Kito,H Eisaki, S Kim, H Hosono, T Guidi,R Bewley and S Bennington

Two-dimensional spin densitywave state in LaFeAsO

Journal of the Physical Society of Japan78 (2009)

A Keren

Evidence of magnetic mechanismfor cuprate superconductivity

New Journal of Physics 11 (2009)

D Khalyavin, A Hillier, D Adroja,A Strydom, P Manuel, L Chapon,P Peratheepan, K Knight, P Deen,C Ritter, Y Muro and T Takabatake

Long-range magnetic order inCeRu2Al10 studied via muon spinrelaxation and neutron diffraction


DD Khalyavin, P Manuel, JF Mitchelland LC Chapon

Spin correlations in thegeometrically frustrated RBaCo4O7antiferromagnets: Mean-fieldapproach and Monte Carlosimulations


M King, A Rennie, C Pfrang, A Hughesand K Thompson

Interaction of nitrogen dioxide(NO2) with a monolayer of oleicacid at the air-water interface – Asimple proxy for atmosphericaerosol

Atmospheric Environment 44 1822-1825 (2010)

PDC King, IM McKenzie and TD Veal

Observation of shallow-donormuonium in Ga2O3: evidence forhydrogen-induced conductivity

Applied Physics Letters 96 (2010)

S King, L Bohlin and N Clarke

Apparatus for simultaneousrheology and small-angle neutronscattering from high-viscositypolymer melts and blends


E Kisi, J Zhang, O Kirstein, D Riley,M Styles and A Paradowska

Shear stiffness in nanolaminarTi3SiC2 challenges ab initiocalculations


K Knight, C Henderson and S Clark

Structural variations in thewesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution

European Journal of Mineralogy 22411-423 (2010)

KS Knight

Analytical expressions to determinethe isothermal compressibilitytensor and the isobaric thermalexpansion tensor for monocliniccrystals: application to determinethe direction of maximumcompressibility in jadeite

Physics and Chemistry of Minerals 37 8529-533

A Kovalevsky, L Hanson, S Fisher,M Mustyakimov, S Mason, V Forsyth,M Blakeley, D Keen, T Wagner,H Carrell, A Katz, J Glusker andP Langan

Metal ion roles and the movementof hydrogen during reactioncatalysed by d-xylose isomerase: ajoint X-ray and neutron diffractionstudy

Structure 18 688-699 (2010)

M Krzystyniak and T Abdul-Redah

Proton momentum distribution insolid and liquid HF


M Krzystyniak, R Lopez-Anton,A Chatzidimitriou-Dreismann, M Lerchand F Fernandez-Alonso

Dynamics of caged hydronium ionsand super-protonic conduction in(H3O)SbTeO6

Z Phys Chem 224 279-287 (2010)

Z Kurban, A Lovell, D Jenkins,S Bennington, I Loader, A Schober andN Skipper

Turbostratic graphite nanofibresfrom electrospun solutions of PANin dimethylsulphoxide

European Polymer Journal 461194-1202 (2010)

E Kutarski, R Dennis, J Price andT Finlayson

Comparison of residual stressesmeasurement with simulation forsteel welded repairs EPRI

International Conference on Welds(2009)

B Lake, AM Tsvelik, S Notbohm,DA Tennant, TG Perring, M Reehuis,C Sekar, G Krabbes and B Buchner

Confinement of fractional quantumnumber particles in a condensed-matter system

Nature Physics 6 1 50-55 (2010)

B Lake, E Wheeler, A Islam, T Guidi,K Rule, Z Izaola, M Russina, K Kieferand Y Skourski

Magnetic excitations of thegapped quantum spin dimerantiferromagnet Sr3Cr2O8


T Lancaster, S Blundell, P Baker,H Lewtas, W Hayes, F Pratt, H Yi andS Cheong

Spin freezing and dynamics inCa3Co2-xMnxO6 (x approximate to0.95) investigated with implantedmuons: Disorder in the anisotropicnext-nearest-neighbor Ising model


T Lancaster, SJ Blundell, FL Pratt,I Franke, AJ Steele, PJ Baker, Z Salman,C Baines, I Watanabe, S Carretta,GA Timco and REP Winpenny

Relaxation of muon spins inmolecular nanomagnets


N Lathiotakis, N Gidopoulos andN Helbig

Size consistency of explicitfunctionals of the natural orbitalsin reduced density matrixfunctional theory

The Journal of Chemical Physics 132(2010)

S Lawrie, D Faircloth, A Letchford,C Gabor and J Pozimski

Plasma meniscus and extractionelectrode studies of the ISIS H– ionsource


A Lazim, J Eastoe, M Bradley,K Trickett, A Mohamed and S Rogers

Recovery of gold nanoparticlesusing pH-sensitive microgels

Soft Matter 6 2050-2055 (2010)

G Lelong, W Howells, J Brady, C Talon,D Price and ML Saboungi

Translational and rotationaldynamics of monosaccharidesolutions


S Lepadatu, J Claydon, D Ciudad,C Kinane, S Langridge, S Cavill, S Dhesiand C Marrows

Determination of domain walldepinning and driving currents indoped permalloy structures

IEEE Transactions on Magnetics 461759-1761 (2010)

S Lepadatu, O Wessely,A Vanhaverbeke, R Allenspach,A Potenza, H Marchetto, T Charlton,S Langridge, S Dhesi and C Marrows

Domain-wall spin-torqueresonators for frequency-selectiveoperation


C Lester, J Chu, J Analytis, T Perring,I Fisher and S Hayden

Dispersive spin fluctuations in thenearly optimally dopedsuperconductor Ba(Fe1-xCox)As2 (x=0.065)


J Lettry, M Kronberger, R Scrivens,E Chaudet, D Faircloth, G Favre,J Geisser, D Kuechler, S Mathot,O Midttun, M Paoluzzi, C Schmitzerand D Steyaert

High duty factor plasma generatorfor CERN’s SuperconductingProton Linac


I Levin, S Karimi, V Provenzano,C Dennis, H Wu, T Comyn,T Stevenson, R Smith and I Reaney

Reorientation of magnetic dipolesat the antiferroelectric-paraelectric phase transition ofBi1-xNdxFeO3 (0.15 <= x <= 0.25)


I Levin, JC Woicik, A Llobet,MG Tucker, V Krayzman, J Pokorny andIM Reaney

Displacive ordering transitions inperovskite-like AgNb1/2Ta1/2O3

Chemistry of Materials 22 17 4987-4995 (2010)

H Lewtas, T Lancaster, P Baker,S Blundell and D Prabhakaran andFL Pratt

Local magnetism andmagnetoelectric effect in HoMnO3studied with muon-spin relaxation


R Lichti, K Chow and S Cox

Defect-level pinning and shallowstates of the muonium isotope ofhydrogen

Physica B: Condensed Matter 404 5106-5109 (2009)

V Lopez-Flores, S Ansell, S Ramos,D Bowron, S Diaz-Moreno andA Munoz-Paez

Development of ReflEXAFS dataanalysis for deeper surfacestructure studies

J Phys: Conference Series 190 (2009)

T Lord, J Hobbs, A Terry, A Kvick andS Hanna

Variation of lattice parameters withfold state in the Ultralong n-Alkanes

Macromolecules 43 3365-3375 (2010)

M Lumsden, A Christianson,E Goremychkin, S Nagler, H Mook,M Stone, D Abernathy, T Guidi,G MacDougall, Cde la Cruz, A Sefat,M McGuire, B Sales and D Mandrus

Evolution of spin excitations into the superconducting state inFeTe1-xSex

Nature Physics 6 182-186 (2010)

P Macchi, N Casati, WG Marshall andA Sironi

The alpha and beta forms of oxalicacid di-hydrate at high pressure: atheoretical simulation and aneutron diffraction study

Crystengcomm 12 9 2596-2603

D MacLaughlin, A Hillier, J Mackie,L Shu, Y Aoki, D Kikuchi, H Sato,Y Tunashima and H Sugawara

Comment on ‘Pronouncedenhancement of the lower criticalfield and critical current deep inthe superconducting state ofPrOs4Sb12’


S Magazu, F Migliardo, F Affouard,M Descamps and M Telling

Study of the relaxational andvibrational dynamics ofbioprotectant glass-formingmixtures by neutron scattering andmolecular dynamics simulation


B Maier, R Angel, W Marshall,B Mihailova, C Paulmann, J Engel,M Gospodinov, A Welsch, D Petrovaand U Bismayer

Octahedral tilting in Pb-basedrelaxor ferroelectrics at highpressure

Acta Crystallographica Section BStructural Science 66 280-291 (2010)

C Malardier-Jugroot, D Bowron,A Soper, M Johnson and T Head-Gordon

Structure and water dynamics ofaqueous peptide solutions in thepresence of co-solvents


E Mamontov and D Neumann

A background suppression chopperfor the high-flux backscatteringspectrometer at NIST

Journal of Neutron Research 16 65-74(2009)

R Mancinelli, S Imberti, AK Soper,KH Liu, CY Mou, F Bruni and MA Ricci

Multiscale approach to thestructural study of water confinedin MCM41

Journal of Physical Chemistry B 11316169-16177 (2009)

J Manson, T Lancaster, S Blundell,Y Qiu, J Singleton, P Sengupta, F Pratt,J Kang, C Lee and M Whangbo

Spin fluctuations and orbitalordering in quasi-one-dimensionalalpha-Cu(dca)2(pyz);a =dicyanamide = N(CN)2-; pyz =pyrazine, a molecular analogue ofKCuF3

Polyhedron 29 514-520 (2010)

J Manson, K Stone, H Southerland,T Lancaster, A Steele, S Blundell,F Pratt, P Baker, R McDonald,P Sengupta, J Singleton, P Goddard,C Lee, M Whangbo, M Warter,C Mielke and P Stephens

Characterisation of theantiferromagnetism inAg(pyz)2(S2O8) (pyz = Pyrazine)with a two-dimensional squarelattice of Ag2+ ions

Journal of the American ChemicalSociety 131 4590 (2009)

P Manuel, L Chapon, I Todorov,D Chung, J Castellan, S Rosenkranz,R Osborn, P Toledano andM Kanatzidis

Incommensurate spin-densitywave and magnetic lock-intransition in CaFe4As3


AJ Markvardsen and WIF David

Diffusion-equation method forcrystallographic figure of merits

Acta Crystallographica Section A 66591-596

D Martínez-Blanco, P Gorria, J Blancoand R Smith

Temperature induced phasetransformations andmicrostructural changes innanostructured FeCu solidsolutions using in situ neutronpowder thermo-diffraction


B Matthews, A Duncan, C Jones,C Neylon, S Coles, M Borkum andP Hunter

A protocol for exchangingscientific citations

5th IEEE International Conference on e-Science (2009)

B Matthews, S Sufi, D Flannery,L Lerusse, T Griffin, M Gleaves andK Kleese

Using a core scientific metadatamodel in large-scale facilities

5th International Digital CurationConference (2009)

F Meersman, D Bowron, A Soper andM Koch

Counteraction of urea bytrimethylamine N-oxide is due todirect interaction

Biophysical Journal 97 2559-2566 (2009)

DIA Millar, WG Marshall, IDH Oswaldand CR Pulham

High-pressure structural studies ofenergetic materials

Crystallography Reviews 16 2 115-132

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DIA Millar, HE Maynard-Casely,AK Kleppe, WG Marshall, CR Pulhamand AS Cumming

Putting the squeeze on energeticmaterials-structuralcharacterisation of a high-pressurephase of CL-20

Crystal Engineering Comm 12 9 2524-2527

DIA Millar, IDH Oswald, C Barry,DJ Francis, WG Marshall, CR Pulhamand AS Cumming

Pressure-cooking of explosives-thecrystal structure of epsilon-RDX asdetermined by X-ray and neutrondiffraction

Chemical Communications 46 31 5662-5664

M Mito, M Pitcher, W Crichton,G Garbarino, P Baker, S Blundell,P Adamson, D Parker and S Clarke

Response of superconductivity andcrystal structure of LiFeAs tohydrostatic pressure


M Moglianetti, JRP Webster,S Edmondson, SP Armes and S Titmuss

Neutron reflectivity study of thestructure of pH-responsivepolymer brushes grown from amacroinitiator at the sapphire-water interface

Langmuir 26 15 12684-12689

A Mohamed, K Trickett, SY Chin,S Cummings, M Sagisaka, L Hudson,S Nave, R Dyer, SE Rogers, RK Heenanand J Eastoe

Universal surfactant for water,oils, and CO2

Langmuir 26 17 13861-13866

R Moss, EA Neel, D Pickup, H Twyman,R Martin, M Henson, E Barney,A Hannon, J Knowles and R Newport

The effect of zinc and titanium onthe structure of calcium-sodiumphosphate based glass

Journal of Non-Crystalline Solids 3561319-1324 (2010)

F Mulder, B Assfour, J Huot,T Dingemans, M Wagemaker andA Ramirez-Cuesta

Hydrogen in the metal-organicframework Cr MIL-53


O Muransky, M Barnett, D Carr, S Vogeland E Oliver

Investigation of deformationtwinning in a fine-grained andcoarse-grained ZM20 Mg alloy:Combined in situ neutrondiffraction and acoustic emission

Acta Materialia 58 1503-1517 (2010)

D Muransky, D Carr, P Sittner and E Oliver

In situ neutron diffractioninvestigation of deformationtwinning and pseudoelastic-likebehaviour of extruded AZ31magnesium alloy

International Journal of Plasticity 251107-1127 (2009)

K Mutch, Jv Duijneveldt, J Eastoe,I Grillo and R Heenan

Scaling the structure factors ofprotein limit colloid-polymermixtures

Langmuir 26 1630-1634 (2010)

O Myakonkaya, B Deniau, J Eastoe,S Rogers, A Ghigo, M Hollamby,A Vesperinas, M Sankar, S Taylor,J Bartley and G Hutchings

Recovery and reuse ofnanoparticles by tuning solventquality

Chemsuschem 3 339-341 (2010)

DE Nanu, MG Tucker, WG Haije,JF Vente and AJ Bottger

Atom configurations in Pd-Au andPd-Au-D alloys: a neutron totalscattering and Reverse MonteCarlo study

Acta Materialia 58 16 5502-5510

K Nemkovski, P Alekseev, J- Mignot,E Goremychkin, A Nikonov,O Parfenov, V Lazukov, N Shitsevalovaand A Dukhnenko

Spin dynamics in the electron-doped Kondo insulator Yb1-xZrxB12(x=0.2)


C Neylon

Head in the clouds: reimaginingthe laboratory record for the web-based, networked world

Automated Experimentation 1 (2009)

C Neylon

Stitching science together

Nature 461 881 (2009)

C Neylon and S Wu

Article-level metrics and theevolution of scientific impact

PLOS Biology 7 (2009)

ST Norberg, S Hull, R Mathieu andSG Eriksson

Local structural properties of0.5BiMnO3-0.5ATiO3 (A = Ba or Sr)

Chemical Communications 46 9 1455-1457 (2010)

J O’Callaghan, H McNamara, M Copley,J Hanrahan, M Morris, D Steytler,R Heenan and J Holmes

Swelling of ionic and nonionicsurfactant micelles by highpressure gases

Langmuir 26 7725-7731 (2010)

K Omoto, S Norberg, S Hull, A Aotoand T Hashimoto

Neutron diffraction study of thecrystal structure and structuralphase transition of La0.7Ca0.3-xSrxCrO3 (0 <= x <= 0.3):the relationship betweenthermodynamic behavior andcrystal structure changes at thephase transition


I Oswald, D Millar, A Davidson,D Francis, W Marshall, C Pulham,A Cumming, A Lennie and J Warren

High-pressure structural studies ofenergetic compounds


S Paddea, J Francis, A Paradowska,P Bouchard and I Shibli

Characterisation of residualstresses in a welded P91 pipesection using neutron diffraction

High Temperature Defect Assesment 5(2010)

S Paddea, J Francis, A Paradowska,P Bouchard and I Shibli

Residual stresses in as-welded P91steel pipe

8th European Conference on ResidualStresses (2010)

S Pagnotta, S McLain, A Soper, F Bruniand M Ricci

Water and trehalose: flow muchdo they Interact with each other?


F Pan, X Zhao, S Perumal, T Waigh, J Luand J Webster

Interfacial dynamic adsorption andstructure of molecular layers ofpeptide surfactants

Langmuir 26 5690-5696 (2010)

B Panicaud, A Baczmanski, M Francois,C Braham and A Paradowska

Large deformation and mechanicaleffects of damage in aged duplexstainless steel


A Paradowska, O Kirstein and A Moor

Investigation of residual stress inlaser formed mild steel platesusing neutron diffraction


AM Paradowska, JWH Price,TR Finlayson, U Lienert and R Ibrahim

Comparison of neutron andsynchrotron diffractionmeasurements of residual stress inbead-on-plate weldments

Journal of Pressure Vessel Technology-Transactions of the Asme 132 1 (2010)

AM Paradowska, JWH Price, B Kerezsi,P Dayawansa and XL Zhao

Stress relieving and its effect onlife of welded tubular joints

Engineering Failure Analysis 17 1 320-327

D Parker, M Pitcher, P Baker, I Franke,T Lancaster, S Blundell and S Clarke

Structure, antiferromagnetism andsuperconductivity of the layerediron arsenide NaFeAs

Chemical Communications 162189-2191 (2009)

D Parker, M Smith, T Lancaster,A Steele, I Franke, P Baker, F Pratt,M Pitcher, S Blundell and S Clarke

Control of the competitionbetween a magnetic phase and asuperconducting phase in cobalt-doped and nickel-doped NaFeAsusing electron count


S Parker

Reactions of iron atoms withbenzene

The Journal of Physical Chemistry A114 1657-1664 (2010)

S Parker

Spectroscopy and bonding internary metal hydride complexes:potential hydrogen storage media

Coordination Chemistry Reviews 254215-234 (2010)

SF Parker, DT Bowron, S Imberti,AK Soper, K Refson, ES Lox, M Lopezand P Albers

Structure determination ofadsorbed hydrogen on a realcatalyst

Chemical Communications 46 17 2959-2961 (2010)

SF Parker, K Refson, AC Hannon,ER Barney, SJ Robertson and P Albers

Characterisation of hydrouspalladium oxide: implications forlow-temperature carbon monoxideoxidation

Journal of Physical Chemistry C 114 3314164-14172

A Parnell, A Dunbar, A Pearson,P Staniec, A Dennison, H Hamamatsu,M Skoda, D Lidzey and R Jones

Depletion of PCBM at the cathodeinterface in P3HT/PCBM thin filmsas quantified via neutronreflectivity measurements

Advanced Materials 22 2444 (2010)

S Parnell, M Deppe, S Ajraoui, J Parra-Robles, S Boag and J Wild

Measurement of laser heating inspin exchange optical pumping byNMR diffusion sensitisationgradients

Journal of Applied Physics 107 (2010)

E Pascual, J Amores, R Puche,M Castro, N Taira, J d Paz andL Chapon

Zircon to scheelite phasetransition induced by pressure andmagnetism in TbCrO4


A Paul, I Fallis, C Cooper, T Wess,K Thomas, R Heenan, S King andP Griffiths

A contrast variation small-anglescattering study of themicrostructure of 2,5-dimethyl-7-hydroxy-2,5-diazaheptadecane-toluene-butanol oil-in-watermetallomicroemulsions

Soft Matter 6 2552-2556 (2010)

A Paul, C James, RK Heenan andR Schweins

Drug mimic induced conformationalchanges in model polymer-drugconjugates characterised by small-angle neutron scattering

Biomacromolecules 11 8 1978-1982(2010)

B Peplinski, A Fitch, A Evans,R Ibberson, D Toebbens, L Cranswick,I Doerfel, F Emmerling and R Matschat

Structural characterisation of acoarse-grained transparent siliconcarbide powder by a combinationof powder diffraction techniques

Zeitschrift für Kristallographie 61-66(2009)

V Peterson, G Kearley, Y Wu,A Ramirez-Cuesta, E Kemner andC Kepert

Local vibrational mechanism fornegative thermal expansion: acombined neutron scattering andfirst-principles study

Angewandte Chemie InternationalEdition 49 585-588 (2010)

O Pieper, T Guidi, S Carretta, J v Slageren, F Hallak, B Lake,P Santini, G Amoretti, H Mutka,M Koza and M Russina et al

Inelastic neutron scattering andfrequency-domain magneticresonance studies of S=4 and S=12Mn6 single-molecule magnets


B Pine and C Warsop

Longitudinal dynamics studies forISIS upgrades

Particle Accelerator Conference (2009)

MJ Pitcher, T Lancaster, JD Wright,I Franke, AJ Steele, PJ Baker, FL Pratt,WT Thomas, DR Parker, SJ Blundelland SJ Clarke

Compositional control of thesuperconducting properties ofLiFeAs

Journal of the American ChemicalSociety 132 30 10467-10476 (2010)

H Postma, L Amkreutz, A Borella,M Clarijs, H Kamermans,W Kockelmann, A Paradowska,P Schillebeeckx and D Visser

Non-destructive bulk analysis ofthe Buggenum sword by neutronresonance capture analysis andneutron diffraction 2010

Journal of Radioanalytical and NuclearChemistry 283 641-652 (2010)

V Poulopoulou, F Fernandez-Alonsoand JF Garcia

Perfil Cientifico de Charles Darwin

Trabajos Dedicados a Charles Darwinpor Medicos y Cientificos Asturianoscon Motivo del 200 Aniversario de suNacimiento 83-138 (2009)

A Powell, J Lord, D Gregory andJ Titman

Muon spin relaxation studies oflithium nitridometallate batterymaterials: muon trapping andlithium ion diffusion

Journal of Physical Chemistry C 11320758-20763 (2009)

A Prag, R Garner, E Pantos, S Bennett,J Mosselmans, M Tobin, W Kockelmann,L Chapon, N Salvado and T Pradell

How the Greeks got ahead:technological aspects ofmanufacture of a Corinthian typeHoplite bronze helmet from Olympia

History of Mechanism and MachineScience 6 (2009)

F Pratt, P Baker, S Blundell, T Lancaster,H Lewtas, P Adamson, M Pitcher,D Parker and S Clarke

Enhanced superfluid stiffness,lowered superconductingtransition temperature, and field-induced magnetic state of thepnictide superconductor LiFeAs


J Price and T Finlayson

Comparison of residual stressesmeasurements techniquesapplicable to the steel weldedcomponents

Welding and Welded Structures 3119-127 (2009)

J Price, T Finlayson and R Ibrahim

Evaluation of residual stressmeasurements before and afterpost-weld heat treatment in theweld repairs

Journal of Physics: Conference Series(2009)

J Price, T Finlayson, U Lienert andR Ibrahim

Comparison of neutron andsynchrotron measurements ofresidual stress in bead-on-plateweldments

Journal of Pressure Vessel Technology132 1-8 (2010)

J Price, T Finlayson, U Lienert, P Wallsand R Ibrahim

Residual stress distribution in steelbutt welds measured by neutronand synchrotron diffraction

Journal of Physics: Condensed Matter21 1-8 (2009)

J Price, B Kerezsi, P Dayawansa and X-L Zhao

Stress relieving and its effect onlife of welded tubular joints

Engineering Failure Analysis 17320-327 (2010)

D Procissi, P Arosio, F Orsini,M Marinone, A Cornia and A Lascialfari

Muon spin relaxation investigationof tetranuclear iron(III)Fe4(OCH3)6(dpm)6 molecular cluster


DL Quintero-Castro, B Lake,EM Wheeler, A Islam, T Guidi, KC Rule,Z Izaola, M Russina, K Kiefer andY Skourski

Magnetic excitations of thegapped quantum spin dimerantiferromagnet Sr3Cr2O8


A Remhof, R Gremaud, F Buchter,Z Lodziana, J Embs, T Ramirez-Cuesta,A Borgschulte and A Zuettel

Hydrogen dynamics in lightweighttetrahydroborates

Journal of Research in PhysicalChemistry 224 263-278 (2010)

F Roosen-Runge, M Hennig, T Seydel,F Zhang, M Skoda, S Zorn, R Jacobs,M Maccarini, P Fouquet and F Schreiber

Protein diffusion in crowdedelectrolyte solutions

Biochimica et Biophysica Acta (BBA) –Proteins & Proteomics 1804 68-75 (2010)

VG Sakai and A Arbe

Quasielastic neutron scattering insoft matter

Current Opinion in Colloid & InterfaceScience 14 381-390 (2009)

VG Sakai and M Telling

ISIS Molecular Spectroscopy UserGroup Meeting 2008

Neutron News 20 5-6 (2009)

K Sasai, M Kofu, RM Ibberson, K Hirota,J Yamaura, Z Hiroi and O Yamamuro

A novel isomorphic phasetransition in beta-pyrochloreoxide KOs2O6: a study using highresolution neutron powderdiffraction

Journal of Physics-Condensed Matter22 1 (2010)

M Schmidtmann, L Farrugia,D Middlemiss, M Gutmann, G McIntyreand C Wilson

Experimental and theoretical chargedensity study of polymorphicisonicotinamide-oxalic acidmolecular complexes with strongO...H...N hydrogen bonds


P Schofield, C Wilson, K Knight andC Kirk

Proton location and hydrogenbonding in the hydrous leadcopper sulfates linaritePbCu(SO4)2(OH)2, and Caledonite,Pb5Cu2(SO4)3CO3(OH)6

American Mineralogist 47 649-662(2009)

E Schooneveld, M Tardocchi, G Gorini,W Kockelmann, T Nakamura, E Perelli-Cippo and N Rhodes

A position-sensitive transmisiondetector for epithermal neutronimaging

Journal of Physics D Applied Physics 42(2009)

AG Seel, A Sartbaeva, AJ Rammirez-Cuesta and PP Edwards

Inelastic neutron scattering of Na-zeolite A with in situammoniation: an examination ofinitial coordination


S Shalev, S Shilstein, A Paradowska,W Kockelmann and Y Levy

Neutron diffraction study ofLevantine Middle Bronze Agecast axes


K Shankland, T Griffin, J van de Streek,J Cole, N Shankland, A Florence andW David

Large-scale distributed computingfor accelerated structure solution

Zeitschrift für Kristallographie 227-232(2009)

K Shankland, A Markvardsen,C Rowlatt, N Shankland and W David

A benchmark method for globaloptimisation problems in structuredetermination from powderdiffraction data


J Sharma, SM King, L Bohlin andN Clarke

Apparatus for simultaneousrheology and small-angle neutronscattering from high-viscositypolymer melts and blends

Nuclear Instruments & Methods inPhysics Research Section a-AcceleratorsSpectrometers Detectors andAssociated Equipment 620 2-3 437-444(2010)

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ISIS2010


50

N Sharma, R Withers, K Knight andC Ling

Structure, crystal chemistry andthermal evolution of the delta-Bi2O3-related phase Bi9ReO17


H Shen, R Thomas, J Penfold andG Fragneto

Destruction and solubilisation ofsupported phospholipid bilayers onsilica by the biosurfactant surfactin

Langmuir 26 7334-7342 (2010)

HH Shen, RK Thomas and P Taylor

The location of the biosurfactantsurfactin in phospholipid bilayerssupported on silica using neutronreflectometry

Langmuir 26 1 320-327

I Silverwood, N Hamilton, C Laycock,J Staniforth, R Ormerod, C Frost,S Parker and D Lennon

Quantification of surface speciespresent on a nickel/aluminamethane reforming catalyst


L Smrcok, D Tunega, A Ramirez-Cuesta,A Ivanov and J Valuchova

The combined inelastic neutronsattering(INS) and solid-state DFTstudy of hydrogen-atoms dynamicsin kaolinite-dimethylsulfoxideintercate

2010 Clays and Clay Minerals 58 52-61(2010)

L Smrcok, D Tunega, AJ Ramirez-Cuestaand E Scholtzova

The combined inelastic neutronscattering and solid state DFTstudy of hydrogen atoms dynamicsin a highly ordered kaolinite

Physics and Chemistry of Minerals 37 8571-579 (2010)

T Smyth, A Perfumo, R Marchant,I Banat, M Chen, R Thomas, J Penfold,P Stevenson and N Parry

Directed microbial biosynthesis ofdeuterated biosurfactants andpotential future application toother bioactive molecules

Applied Microbiology and Biotechology87 1347-1354 (2010)

A Soper, J Teixeira and T Head-Gordon

Is ambient water inhomogeneouson the nanometer-length scale?

Proceedings of the National Academy ofSciences 107 (2010)

G Srinivas, A Lovell, N Skipper,S Bennington, Z Kurban and R Smith

Ammonia absorption in calciumgraphite intercalation compound:in situ neutron diffraction, Ramanspectroscopy and magnetisation


A Stadler

Dynamics in biological systems asseen by QENS

Z Phys Chem 224 201-214 (2010)

U Staub, Y Bodenthin, C Piamonteze,M Garcia-Fernandez, V Scagnoli,M Garganourakis, S Koohpayeh, D Fortand S Lovesey

Parity- and time-odd atomicmultipoles in magnetoelectricGaFeO3 as seen via soft X-rayBragg diffraction


T Stevenson, TP Comyn, A Daoud-Aladine and AJ Bell

Change in periodicity of theincommensurate magnetic ordertowards commensurate order inbismuth ferrite lead titanate

Journal of Magnetism and MagneticMaterials 322 22 L64-L67 (2010)

C Stock, W Buyers, K Rule, J Chung,R Liang, D Bonn and W Hardy

Magnetic field resonantlyenhanced free spins in heavilyunderdoped YBa2Cu3O6+x


C Stock, R Cowley, J Taylor andS Bennington

High-energy neutron scatteringfrom hydrogen using a directgeometry spectrometer


W Suder and S Williams

Neutron diffraction residual stressmeasurements in key-hole laserformed weldments


I Swainson, C Stock, P Gehring, G Xu,K Hirota, Y Qiu, H Luo, X Zhao, J-F Liand D Viehland

Soft phonon columns on the edgeof the Brillouin zone in the relaxorPbMg1/3Nb2/3O3


R Tabor, J Eastoe, P Dowding, I Grilloand S Rogers

Bidisperse colloids: nanoparticlesand microemulsions in coexistence

Journal of Colloid and Interface Science344 447-450 (2010)

Y Tanaka, S Collins, S Lovesey,M Matsumami, T Moriwaki and S Shin

Determination of the absolutechirality of tellurium usingresonant diffraction with circularlypolarised X-rays


L Thomas, N Blagden, M Gutmann,A Kallay, A Parkin, C Seaton andC Wilson

Tuning proton behavior in aternary molecular complex

Crystal Growth & Design 10 2770-2774(2010)

L Thomas, A Florence and C Wilson

Hydrogen atom behaviour imagedin a short intramolecular hydrogenbond using the combined approachof X-ray and neutron diffraction

New Journal of Chemistry 33 2486-2490 (2009)

I Todorov, DY Chung, H Claus, KE Gray,QA Li, J Schleuter, T Bakas, AP Douvalis,M Gutmann and MG Kanatzidis

Selective substitution of Cr inCaFe4As3 and its effect on the spindensity wave

Chemistry of Materials 22 17 4996-5002 (2010)

K Tomiyasu, H Kageyama, C Lee,M Whangbo, Y Tsujimoto,K Yoshimura, J Taylor, A Llobet,F Trouw, K Kakurai and K Yamada

Magnetic excitations in infinite-layer antiferromagnetic insulator

Journal of the Physical Society of Japan79 (2010)

J Tomkinson

Comment on: ‘FTIR and FTRamanspectra, assignments, ab initio HFand DFT analysis of 4-nitrotoluene’by S Ramalingam et al.,Spectrochemica Acta A 75 (2010)1308-1314

Spectrochimica Acta Part A Molecularand Biomolecular Spectroscopy 75 41377-1379 (2010)

J Tomkinson, S Parker and D Lennon

No evidence for Evans holes in theABC vibrational structure ofKH2AsO4


V Tran, A Hillier and D Adroja

Reply to ‘Comment on “Muon-spin-rotation study of thesuperconducting properties ofMo3Sb7”’


V Tran, A Hillier, D Adroja, Z Bukowskiand W Millier

Evidence for a spin pseudogap inthe normal state ofsuperconducting Mo3Sb7

Journal of Physics Condensed Matter 21485701 (2009)

A Tremsin, J McPhate, W Kockelmann,J Vallerga, O Siegmund and W Feller

Energy-resolving neutrontransmission radiography at theISIS pulsed spallation source witha high-resolution neutron countingdetector

IEEE Transactions on Nuclear Science56 2931-2937 (2009)

K Trickett, H Brice, O Myakonkaya,J Eastoe, S Rogers, R Heenan and I Grillo

Microemulsion-based organogelscontaining inorganic nanoparticles

Soft Matter 6 1291-1296 (2010)

K Trickett, D Xing, J Eastoe, R Enick,A Mohamed, M Hollamby, S Cummings,S Rogers and R Heenan

Hydrocarbon metallosurfactantsfor CO2

Langmuir 26 4732-4737 (2010)

K Trickett, D Xing, R Enick, J Eastoe,M Hollamby, K Mutch, S Rogers,R Heenan and D Steytler

Rod-Like Micelles Thicken CO2

Langmuir 26 83-88 (2010)

I Tucker, J Penfold, R Thomas, C Dong,S Golding, C Gibson and I Grillo

Surface and solution properties ofanionic/nonionic surfactantmixtures of alkylbenzene sulfonateand triethyleneglycol decyl ether

Langmuir 26 10614-10626 (2010)

I Tucker, J Petkov, J Penfold andR Thomas

Adsorption of nonionic and mixednonionic/cationic surfactants ontohydrophilic and hydrophobiccellulose thin films

Langmuir 26 8036-8048 (2010)

C Utfeld, J Laverock, T Haynes,S Dugdale, J Duffy, M Butchers, J Taylor,S Giblin, J Analytis, J Chu, I Fisher,M Itou and Y Sakurai

Bulk electronic structure ofoptimally doped Ba(Fe1-xCox)2As2


B Varga, F Migliardo, E Takacs,B Vertessy, S Magazu and M Telling

Study of solvent-protein couplingeffects by neutron scattering

Journal of Biological Physics 36 207-220 (2010)

PD Vaz, MM Nolasco, F Gil,PJA Ribeiro-Claro and J Tomikinson

Hydrogen-bond dynamics of C-H ...O Interactions: the chloroform ...acetone case

Chemistry-a European Journal 16 309010-9017 (2010)

C Vecchini, M Poienar, F Damay,O Adamopoulos, A Daoud-Aladine,A Lappas, JM Perez-Mato, LC Chaponand C Martin

Magnetoelastic coupling in thefrustrated antiferromagnetictriangular lattice CuMnO2


M de Vries, J Stewart, P Deen, J Piatek,G Nilsen, H Ronnow and A Harrison

Scale-free antiferromagneticfluctuations in the s=1/2 Kagomeantiferromagnet

Herbertsmithite Physical Review Letters103 (2009)

MD Vries-Melein, D Visser, J Mulder,L Megens, S Imberti, W Kockelmannand H Kars

Mesopotamian hematite seals in anew light

6th International Congress on theArchaeology of the Ancient Near East2008 (2009)

H Walker, R Ewings, F Fabrizi,D Mannix, C Mazzoli, S Wilkins,L Paoloasini, D Prabhakaran,A Boothroyd and D McMorrow

X-ray resonant scattering study ofthe magnetic phase diagram ofmultiferroic TbMnO3

Journal of Physics Condensed Matter404 3264-3266 (2009)

A Walters, T Perring, J-S Caux, ASavici, G Gu, C-C Lee, W Ku andI Zaliznyak

Effect of covalent bonding onmagnetism and the missingneutron intensity in copper oxidecompounds


L Wang, R Tabor, J Eastoe, X Li,R Heenan and J Dong

Formation and stability ofnanoemulsions with mixed ionic-nonionic surfactants


G Weber, J Essex and C Neylon

Probing the microscopic flexibilityof DNA from melting temperatures


H Wei, W Kockelmann, E Godfrey,D Scott and W Xiaohong

Non-destructive phase analysis ofSong Dynasty iron coins by TOFneutron diffraction

Acta Scientiarum NaturaliumUniversitatis Pekinensis 46 245-250(2010)

E Weidner, I Shabalin, M Telling,C Jewell, D Gregory and D Ross

Pressure-dependent deuteriumreaction pathways in the LiNDsystem


T Willers, Z Hu, N Hollmann,P Koerner, J Gegner, T Burnus,H Fujiwara, A Tanaka, D Schmitz,H Hsieh, H-Lin, C Chen, E Bauer,J Sarrao, E Goremychkin, M Koza,L Tjeng and A Severing

Crystal-field and Kondo-scaleinvestigations of CeMIn5 (M=Co,Ir, and Rh): a combined X-rayabsorption and inelastic neutronscattering study


R Wimpory, A Paradowska andK Nikbin

Residual stress measurements inlarge scale component sections


C Wu, G Wu, Z Xiong, W David,K Ryan, M Jones, P Edwards, H Chuand P Chen

Stepwise phase transition in theformation of lithium amidoborane

Inorganic Chemistry 49 4319-4323(2010)

G Xu, G Gu, M Hücker, B Fauqué,T Perring, L Regnault and J Tranquada

Testing the itinerancy of spindynamics in superconductingBi2Sr2CaCu2O8

Nature 5 642-646 (2009)

Y Yan, I Telepeni, S Yang, X Lin,W Kockelmann, A Dailly, A Blake,W Lewis, G Walker, D Allan, S Barnett,N Champness and M Schroder

Metal-organic polyhedralframeworks: high H2 adsorptioncapacities and neutron powderdiffraction studies

Journal of the American ChemicalSociety 132 4092 (2010)

G Yang, Z Jiang, H Shi, M Jones,T Xiao, P Edwards and Z Yan

Study on the photocatalysis of F-Sco-doped TiO2 prepared usingsolvothermal method

Applied Catalysis B Environmental 96458-465 (2010)

C Yin, G Li, W Kockelmann, F Liao,J Attfield and J Lin

Frustrated and unfrustratedmagnetic orders in the 10HPerovskite Ba5Sb1-xMn4+xO15-δ


C Yin, G Li, W Kockelmann, J Lin andJ Attfield

Charge transfer and a magneticcrossover in hexagonal BaRu1-xMnxO3 perovskites


M Zaberchik, K Chashka, L Patlgan,A Maniv, C Baines, P King and A Kanigel

A Possible evidence of a two-gapstructure for the CuxTiSe2superconductor


P Zaleski, K Szymanski, J Przewoznik,K Recko, S Cottrell and L Dobrzynski

Cr3Si doped by Co studied bymuon spin relaxation and scanningelectron microscopy techniques


A Zeidler, J Drewitt, P Salmon,A Barnes, W Crichton, S Klotz,H Fischer, C Benmore, S Ramos andA Hannon

Establishing the structure of GeS2at high pressures and temperatures:a combined approach using X-rayand neutron diffraction

Journal of Physics-Condensed Matter 21(2009)

B Zhang, M Kurmoo, T Mori, Y Zhang,F Pratt and D Zhu

Polymorphism in Hybrid Organic-Inorganic Bilayered MagneticConductors (BEDT-TTF)3((FeCl4)-Cl-III)2, BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene

Crystal Growth & Design 10 782-789(2010)

J Zhang, E Kisi, D Riley, M Styles andA Paradowska

Single crystal elastic constants ofthe MAX phase Ti3AlC2determined by neutron diffraction

Materials Science Forum 638-6422417-2422 (2010)

S Zhang, E Godfrey, B Abbey, P Xu,Y Tomota, D Liljedahl, O Zanellato,M Fitzpatrick, J Kelleher, S Siano,J Santisteban and A Korsunsky

Materials structure and strainanalysis using time-of-flightneutron diffraction

World Congress on Engineering 2009,Vols I and II 1412-1419 (2009)

S Zhang, E Godfrey, W Kockelmann,A Paradowska, M Bull, B Abbey,A Korsunsky, P Xu, Y Tomota,D Liljedahl, O Zanellato, M Fitzpatrick,M Daymond, R Toda, R Holt, J Kelleher,S Siano and J Santisteban

Materials engineering: high-techcomposites to ancient metals

Materials Today 12 78-84 (2009)

S Zhang, S Hainsworth and E Oliver

Temperature dependence of lowcycle fatique behaviour in extruded


S Zhang, W Kockelmann,A Paradowska, J James, G Burca andL Chapon

IMAT: an maging and engineeringfacility for ISIS TS-II


S-Y Zhang and J Kelleher

Engin-X: neutrons for materialsengineering

MECA SENS V (2009)

H Zhou, Y Jo, J Carpino, G Munoz,C Wiebe, J Cheng, F Rivadulla andD Adroja

Orbital fluctuations in the S=1/2Mott insulator Sr2VO4


53

ISIS2010

ISISSem

inars2009 – 2010

52

3 April 2009

Nigel J Mason (The Open University)

Synchrotron radiation – aperfect mimic of starlight?

21 April 2009

Matthias Vojta (University of Köln)

Lattice symmetry breaking incuprate superconductors:how stripy is the pseudogap?

28 April 2009

Simon Phillips (Research Complex, Harwell)

Cleaving the Hollidayjunction: how thesynchrotron gave us aninsight into the molecularmechanism of inheritance

12 May 2009

Chris Hooley (University of St. Andrews)

A simple theory of the Invareffect in iron-nickel alloys

19 May 2009

Julia Yeomans (University of Oxford)

Drops on micropatternedsurfaces: how butterfliesstay dry

26 May 2009

Roberto Car (Princeton University)

Spectral signatures of shortrange order in condensedwater phases

2 June 2009

Jonathan Doye (University of Oxford)

Exploring the dynamics ofself-assembly andcrystallization in coarse-grained models of patchycolloids, proteins and DNA

9 June 2009

Pavlos Lagoudakis (University of Southampton)

Nanoscale and hybridoptoelectronics

11 June 2009

Paul Chaikin (New York University)

Experimental geometry withcolloids and candies

23 June 2009

Yuri VTaran (Joint Institute for NuclearResearch, Dubna)

Time of flight neutron stressanalysis of fatiguedegradation and martensitictransformation of austeniticsteel AISI 321 under uni- andbiaxial cycling loading

26 June 2009

Dr Alke Meents (DESY, Hamburg)

Origin and temperaturedependence of radiationdamage in biologicalsamples

30 June 2009

Professor Jeffery Tallon(MacDiarmid Institute forAdvanced Materials andNanotechnology, NewZealand)

Exotic or conventional – thephysics of High-Tcsuperconductors

7 July 2009

Martin Rotter (University of Oxford)

Going beyond the dipoleapproximation to improvethe refinement of magneticstructures by neutrondiffraction

10 July 2009

Dr Chris Jacobsen (Stony Brook University)

X-ray microscopy: where isit at, and where might it go?

15 July 2009

Bob Cywinski (University of Huddersfield)

Can thorium save theplanet?

21 July 2009

Mark de Vries (University of St. Andrews)

Scale-free antiferromagneticfluctuations in the S=1/2kagome antiferromagnetherbertsmithite – twointerpretations and theirimplications

10 August 2009

R. Mukhopadhyay (Bhabha Atomic ResearchCenter, Mumbai)

Molecular motions inconfined geometry

15 September 2009

Young Jun Chang (Lawrence Berkeley NationalLaboratory, California)

Electronic properties ofSrTiO3: effects of thestructural phase transitionand interface doping

25 September 2009

Prof Dr Helmut Dosch (DESY, Hamburg)

Grand challenges formegafacilities

6 October 2009

Markus Garst (University of Köln)

Thermal expansion andmagnetostriction close toquantum criticality

21 October 2009

Ulrich Roessler (Leibniz Institute, Dresden)

Skyrmions in chiral magnets

10 November 2009

Patrick Soukiassian (Paris-South University, Orsay)

Amazing nano-objects andnanochemistry atsemiconductor surfaces andinterfaces

17 November 2009

Anne de Visser (University of Amsterdam)

Superconductingferromagnets

19 January 2010

Pierre Toledano (Universite de Picardie,Amiens)

Landau approach to phasetransitions: rigorous results

26 January 2010

Dr Ilya Eremin (Max-Planck-Institut)

Superconductivity andmetallic spin density wavein iron-basedsuperconductors

28 January 2010

Pierre Toledano (Universite de Picardie,Amiens)

Landau theory ofmultiferroic materials

9 February 2010

Christoph Salzmann (University of Oxford)

Ice XV and other forms ofsolid water

16 February 2010

Feliciano Giustino (University of Oxford)

Electron-phonon interactionin copper oxides and ironpnictides

23 February 2010

Dr Kostya Trachenko (Queen Mary University ofLondon)

Understanding liquids andglass transition on the basisof elastic waves

2 March 2010

Dr Matthew Krzystyniak(University of Oxford)

Neutron Compton scatteringas a probe of proton micro-dynamics in condensedmatter systems andmolecules

9 March 2010

Dr Moritz Hoesch (Diamond Light Source)

Giant Kohn Anomaly and thephase transition in charge-density-wave ZrTe3

16 March 2010

Dr Donna C. Arnold (University of Kent)

Perovskite and perovskiterelated ferroelectric andmultiferroic materials

ISIS Seminars 2009 - 2010

▼ Dominic Fortes (UCL)preparing to studyhigh-pressurepolymorphs of hydratesof relevance to theinterior of icy bodies inthe outer solar systemon Pearl. 10EC2517

▼ Isabel Franke (Oxford University) using thenew muon instrument HiFi to decouple thespin fluctuations with high magnetic fields inthe geometrically frustrated antiferromagneticgarnet Gd3Ga5O12. 10EC2546

▼ Tommy Nylander and Richard Campbell(Lund University, Sweden) preparingSurf for studies of the interactionbetween RNA and lipid monolayers atthe air-water interface. 10EC2567

User satisfaction All users visiting the facility areinvited to complete a satisfactionsurvey which addresses the qualityof the scientific, technical and UserOffice support, the ISIS, Instrumentand Support equipment performanceand reliability, and the quality of theaccommodation and restaurantfacilities. The feedback obtained inthis way helps to ensure a highquality service is maintained andimproved where necessary.

▼ ISIS user survey results from 2005 to 2010.

55

ISIS2010

ISIS in factsand figures

54

ISIS in facts and figures

FAP 1 FAP 2 FAP 3 FAP 4 FAP 5 FAP 6 FAP 7Diffraction Liquids Large Scale Excitations Molecular Muons Engineering

Structures Spectroscopy

J Evans C Hardacre A Zarbakhsh D McMorrow J Bermejo S Kilcoyne J Bouchard (Chair) (Chair) (Chair) (Chair) (Chair) (Chair) (Chair)

A Bombardi M Celli S Clarke A Boothroyd A Arbe A Drew M HutchingsJ Claridge G Cuello I Gentle J Chalker F Bresme R Macrae N O’DowdW Crichton M Gonzalez J Goff P Dai D Colognesi R Moessner J Quinta da FonsecaL Favello F Meersman J Lakey R De Renzi P Fairclough R Osborn D RuggD Gregory J Tse T Nylander B Gaulin M Jones R Scheuermann A SteuwerB Kennedy M Wilson J Petkov A Huxley MP Marques J Titman H StoneS Parsons R Winter P Steadman B Lake G Walker I Watanabe J YatesT Proffen R Thompson O Petrenko P WoodP SchofieldP SlaterA Wills C NeylonM Tucker D Bowron J Webster C Stock J Mayers S Cottrell SY ZhangS Hull A Hannon S Langridge T Perring F Demmel A Hillier J Kelleher

▲ ISIS Facility Access Panel membership for the Oct 2009 meetings. The FAPs meet normally meet twice per year to review all proposals submitted to thefacility based on scientific merit and timeliness. ISIS attendees act as secretary and give technical advice, but are not involved in the experiment reviewprocess.

Chair D Lennon University of Glasgow

IUG1 CrystallographyD Gregory University of GlasgowP Lightfood University of St Andrews

IUG2 Liquids & AmorphousJ Holbrety Queen’s University BelfastB Webber University of Kent

IUG3 Large Scale StructuresA Zarbaksh Queen Mary College, LondonJ Lakey University of Newcastle

IUG4 ExcitationsA Boothroyd University of OxfordP Mitchell University of Manchester

IUG5 Molecular SpectroscopyF Kargl University of Wales – Aberystwyth

D Lennon University of Glasgow

IUG6 MuonsS Kilcoyne University of SalfordT Lancaster University of Oxford

IUG7 EngineeringG Swallowe Loughborough UniversityM Fitzpatrick The Open University

AD Taylor Director ISIS

U Steigenberger ISS Division Head

ZA Bowden IEO Division Head

D Greenfield II Division Head

RL McGreevy IDM Division Head

PJC King Oversight of ISIS User Programme

R Browning ISIS User Programme Manager

▲ ISIS User Committee Membership for June 2010. The IUC exists to represent the user community on all aspects of facility operation.

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User Office

Out-of-hourstechnical support

Technical support

Out-of-hoursscientific support

Scientific support

ISIS user satisfaction survey2005 2006 2008 2009 2010

10 20 30 40 50 60 70 80 90 100

▲ Haixia Wang(Universität Darmstadt)studying local structurein ferroelectric PMN-PTcrystals with SXD.10EC2520

▲ Mario Campana(Queen MaryUniversity London)preparing Surf forstructural studiesof proteins at theoil-water interface.10EC2544

▲

Jeremy Uden (Pitt Rivers Museum,University of Oxford)holds one of a pairof valuable SamuraiSwords duringstudies using INES.09EC4405

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ISIS continues to be the world’s most successful pulsed spallation neutron source. For the period of this report and duringscheduled operating cycles, ISIS delivered a total of 630 mA.hrs of user proton beam to the muon and neutron targets.

The tables below give beam statistics for the individual cycles in the year 2009-2010, together with year-on-year statistics forISIS performance.

Cycle 09/1 09/2 09/3 09/4 09/5

19 May – 7 July – 22 Sept – 24 Nov – 16 Feb –25 June 09 13 Aug 09 22 Oct 09 20 Dec 09 25 Mar 10

Beam on Target 1 (hr) 714 681 381 770 491

Total Beam Current (μA-hr) 148255 141197 81718 165403 93170

Average Beam Current for beam on Target 1 (μA) 171.7 174.2 171.9 174.7 176.7

▲ ISIS operational statistics for year 2009-2010.

Year 1999 2000 2001 2002 2003 2004 2005 2006 2007 2008 2009

Total Scheduled Days 168 168 168 156 165 106 134 196 92 163 156

Total Time on Target (days) 153 154 158 144 152 96 107 174 74 144 126

Total Integrated Current (mA-hrs) 687 687 725 612 647 409 459 749 326 612 630

Average Beam Current (for beam on target) (μA) 187 186 192 178 177 177 178 179 183 177 179

▲ Year-on-year ISIS performance summary for the past 10 years.

▲ Average ISIS average beam current per cycle.

▲ The ISIS integrated beam current over the last twenty years.

Beam statistics 2009-2010

▲

Samantha Ford (DurhamUniversity) preparing SXD to study pressure effects onproton migration 3,5-pyridinedicarboxylic acid. 10EC2552

ISIS

Science and Technology Facilities Council, Rutherford Appleton Laboratory, Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0QX, UK

T: +44 (0)1235 445592 F: +44 (0)1235 445103 E: [email protected]

www.stfc.ac.uk

Head office: Polaris House, North Star Avenue, Swindon SN2 1SZ, United Kingdom.

Establishments at: Rutherford Appleton Laboratory, Oxfordshire; Daresbury Laboratory, Cheshire;UK Astronomy Technology Centre, Edinburgh; Chilbolton Observatory, Hampshire; Isaac Newton Group,La Palma; Joint Astronomy Centre, Hawaii.

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Documents

THE ISIS PULSED NEUTRON AND MUON SOURCE - CORE