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September 17, 2010
New Materials:
Real and Imagined
Richard D. James
Department of Aerospace Engineering and Mechanics
University of Minnesota
2010 Greater Midwestern Regional Space Grant Consortia Meeting
September 16 - 17, 2010, University of Minnesota, Minneapolis
September 17, 2010 Space Grant Consortia Meeting
Outline
Martensitic phase transformations and multiferroic materials
Hysteresis
Ferromagnetic shape memory
Bacteriophage T4
Objective structures
real
imagined
(2010)
September 17, 2010 Space Grant Consortia Meeting
Martensitic phase transformation
Ga
Mn
Ni
N
S
Ni2MnGa
September 17, 2010 Space Grant Consortia Meeting
Fitting phases together
September 17, 2010 Space Grant Consortia Meeting
Free energy and energy wells
U 1 U 2
RU 2
I
3 x 3 matrices
Minimizers...
Ni30.5
Ti49.5
Cu20.0
= 1.0000
= 0.9579
= 1.0583
Cu69
Al27.5
Ni3.5
= 1.0619
= 0.9178
= 1.0230
September 17, 2010 Space Grant Consortia Meeting
10 m
Austenite/Martensite Interface
Cu-14.0%Al-3.5%Ni
September 17, 2010 Space Grant Consortia Meeting
Outline
Martensitic phase transformations and multiferroic materials
Hysteresis
Ferromagnetic shape memory
Bacteriophage T4
Objective structures
September 17, 2010 Space Grant Consortia Meeting
Hysteresis
Hysteresis
September 17, 2010 Space Grant Consortia Meeting
Textbook explanation for hysteresis
Pinning of interfaces by defects
September 17, 2010 Space Grant Consortia Meeting
austenite
two variants of
martensite, finely
twinned
A rather different hypothesis on the
origins of hysteresis
What if we tune the
composition of the
material to make
September 17, 2010
Heating and cooling Ni2MnGa
September 17, 2010
Measured thermal hysteresis
Hysteresis = As + Af – Ms – Mf
Jerry Zhang
September 17, 2010
Hysteresis vs.
Jerry Zhang
Triangles:
combinatorial
synthesis data of
Cui, Chu, Famodu,
Furuya, Hattrick-
Simpers, James,
Ludwig, Theinhaus,
Wuttig, Zhang,
Takeuchi
Many alloys made by combinatorial
synthesis methods: “zero hysteresis”
September 17, 2010 Space Grant Consortia Meeting
Rémi Delville, N. Schryvers
Ti50Ni39Pd11
λ2 ≈ 1
September 17, 2010
Ni43Co7Mn40Sn10
V. Srivastava, X. Chen, James λ2 = 1.0032
calorimetry magnetization vs. field
September 17, 2010
Ni43Co7Mn40Sn10
permanent
magnet
Specimen of Ni43Co7Mn40Sn10 on a
copper finger. The copper is being
heated 7.5 cm
September 17, 2010 Space Grant Consortia Meeting
Outline
Martensitic phase transformations and multiferroic materials
Hysteresis
Ferromagnetic shape memory
Bacteriophage T4
Objective structures
September 17, 2010 Space Grant Consortia Meeting
Ferromagnetic shape memory materials
Three important temperatures:
Curie temperature of austenite:
Curie temperature of martensite
Austenite-martensite transformation temperature: first order
second order
T
Two ways to field-induce a shape change:
1) Field-induce the austenite-martensite
transformation
2) Rearrange variants of martensite
below transformation temperature. picture below drawn with measured
lattice parameters of Ni2MnGa
H
September 17, 2010 Space Grant Consortia Meeting
Strain vs. field in Ni2MnGa
H (010)
(100)
30 times the strain of giant magnetostrictive materials
September 17, 2010 Space Grant Consortia Meeting
Ni2MnGa cantilever
H(t)
picture drawn with
measured lattice
parameters of
Ni2MnGa
(Electromagnetic force on the cantilever is zero; it is driven by configurational force)
Work done is
proportional to the
thickness h rather than
h3 due to…
dxhm
Biologically inspired micro-scale muscles:
lessons from copepods
Bending action of an
FSMA micro-cantilever
(with Yaniv Ganor, Jian Sheng)
September 17, 2010 Space Grant Consortia Meeting
Outline
Martensitic phase transformations and multiferroic materials
Hysteresis
Ferromagnetic shape memory
Bacteriophage T4
Objective structures
September 17, 2010 Space Grant Consortia Meeting
Bacteriophage T4: a virus that attacks
bacteria
Bacteriophage T-4 attacking
a bacterium: phage at the right
is injecting its DNA
Wakefield, Julie (2000) The return of the phage. Smithsonian 31:42-6
September 17, 2010 Space Grant Consortia Meeting
Mechanism of infection
A 100nm bioactuator
September 17, 2010 Space Grant Consortia Meeting
Outline
Martensitic phase transformations and multiferroic materials
Hysteresis
Ferromagnetic shape memory
Bacteriophage T4
Objective structures
September 17, 2010 Space Grant Consortia Meeting
Structure of bacteriophage T4 tail sheath
September 17, 2010 Space Grant Consortia Meeting
Examples Hepatitis B TMV Flu
September 17, 2010 Space Grant Consortia Meeting
Periodic Table of the Elements
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18
1 H He
Hex Hex
2 Li Be B C N O F Ne
Cub Hex Rhom Hex Hex Cub Cub Cub
3 Na Mg Al Si P S Cl Ar
Cub Hex Cub Cub Mono Ortho Ortho Cub
4 K Ca Sc Ti V Cr Mn Fe Co Ni Cu Zn Ga Ge As Se Br Kr
Cub Cub Hex Hex Cub Cub Cub Cub Hex Cub Cub Hex Ortho Cub Rhom Hex Ortho Cub
5 Rb Sr Y Zr Nb Mo Tc Ru Rh Pd Ag Cd In Sn Sb Te I Xe
Cub Cub Hex Hex Cub Cub Hex Hex Cub Cub Cub Hex Tet Tet Rhom Hex Ortho Cub
6
Cs Ba * Hf Ta W Re Os Ir Pt Au Hg Tl Pb Bi Po At Rn
Cub Cub Hex Cub Cub Hex Hex Cub Cub Cub Rhom Hex Cub Rhom Mono ? Cub
September 17, 2010 Space Grant Consortia Meeting
Bravais lattice
FCC
e1
e3
e2
September 17, 2010 Space Grant Consortia Meeting
Periodic Table: Bravais lattices
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18
1 H He
Hex Hex
2 Li Be B C N O F Ne
Cub Hex Rhom Hex Hex Cub Cub Cub
3 Na Mg Al Si P S Cl Ar
Cub Hex Cub Cub Mono Ortho Ortho Cub
4 K Ca Sc Ti V Cr Mn Fe Co Ni Cu Zn Ga Ge As Se Br Kr
Cub Cub Hex Hex Cub Cub Cub Cub Hex Cub Cub Hex Ortho Cub Rhom Hex Ortho Cub
5 Rb Sr Y Zr Nb Mo Tc Ru Rh Pd Ag Cd In Sn Sb Te I Xe
Cub Cub Hex Hex Cub Cub Hex Hex Cub Cub Cub Hex Tet Tet Rhom Hex Ortho Cub
6
Cs Ba * Hf Ta W Re Os Ir Pt Au Hg Tl Pb Bi Po At Rn
Cub Cub Hex Cub Cub Hex Hex Cub Cub Cub Rhom Hex Cub Rhom Mono ? Cub
= not a Bravais lattice
September 17, 2010 Space Grant Consortia Meeting
Objective atomic structure
September 17, 2010 Space Grant Consortia Meeting
Objective atomic structures
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18
1 H He
Hex Hex
2 Li Be B C N O F Ne
Cub Hex Rhom Hex Hex Cub Cub Cub
3 Na Mg Al Si P S Cl Ar
Cub Hex Cub Cub Mono Ortho Ortho Cub
4 K Ca Sc Ti V Cr Mn Fe Co Ni Cu Zn Ga Ge As Se Br Kr
Cub Cub Hex Hex Cub Cub Cub Cub Hex Cub Cub Hex Ortho Cub Rhom Hex Ortho Cub
5 Rb Sr Y Zr Nb Mo Tc Ru Rh Pd Ag Cd In Sn Sb Te I Xe
Cub Cub Hex Hex Cub Cub Hex Hex Cub Cub Cub Hex Tet Tet Rhom Hex Ortho Cub
6
Cs Ba * Hf Ta W Re Os Ir Pt Au Hg Tl Pb Bi Po At Rn
Cub Cub Hex Cub Cub Hex Hex Cub Cub Cub Rhom Hex Cub Rhom Mono ? Cub
? ?
September 17, 2010 Space Grant Consortia Meeting
Examples of Objective Structures
is an objective
molecular structure if
there are orthogonal
transformations
such that
September 17, 2010 Space Grant Consortia Meeting
(6,6) carbon nanotube
September 17, 2010 Space Grant Consortia Meeting
The quantum mechanics problem
May 23, 2010 SIAM
Self-assembly and objective structures
Consider structures assembled from one kind of molecule. This “molecule” could be a collection of several actual molecules
a’
a’’
a
a
Crane, 1950
Caspar and Klug, 1962
A simple macroscopic example
S
N
N
N N
N
N
S
Strength of bonds graded by
1) Magnet configuration
2) Shape
(made by rapid prototyping)
Yaniv Ganor
May 23, 2010 SIAM
Mix
1000 molecules in solution
• Why does one get 16 capsids rather than 500 dimers?
A careful grading of bond strengths relative to “entropic effects”
September 17, 2010 Space Grant Consortia Meeting
“Imagined” objective structures: fertile
ground for the discovery of new materials
Objective structures are the natural structures to exhibit collective properties:
– Ferromagnetism
– Ferroelectricity
– Superconductivity
…and natural structures for self-assembly
Search systematically among
objective structures for those with
collective properties
Is it possible to make molecules with bonding sites of
prescribed position and orientation?