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IgorStanković
Towardsmultiscalematerialmodelingviacomputersimulations
multiscalematerialmodelling;genericmodelformetals
simulationsofdryfrictioninmetals
simulationsoftheflowinporousmedia
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Towardsmultiscalematerialmodelingviacomputersimulations
OUTLINE
Towardsmultiscalematerialmodelingviacomputersimulations
measurement
visco-elasticmodels
moleculardynamicssimulations
GenericEmbeddedAtomMethod(GEAM):
abinitiomotivatedmany-particlemethod generic-reproducesmainpropertiesofanumberofrealmetals(Cu,Ni,Ag,Au,Pt,Pd)
controlledbyasetofbasicmodelparameters computationallyefficient
Towardsmultiscalematerialmodelingviacomputersimulations
lokalna gustina
Paulijev princip
van der Waals
molekuli, atomi metali, poluprovodnici
Towardsmultiscalematerialmodelingviacomputersimulations
Metod molekularne dinamike
potencijalna energija
kinetička energija
temperatura
pritisak
koeficijent difuzije
Towardsmultiscalematerialmodelingviacomputersimulations
planar graph angular distribution of next neighbors
comm
on neighbor analysis
Towardsmultiscalematerialmodelingviacomputersimulations
Common neighbour structure analysis
FCC-BCC-FCC transformation under shear
Towardsmultiscalematerialmodelingviacomputersimulations
f=-PdV-sdT
df=-PααdVα
Fbcc-Ffcc=(Ubcc-Ufcc)-T(Sbcc-Sfcc)
FCC-BCC-FCC transformation under shear
Towardsmultiscalematerialmodelingviacomputersimulations
Mechanical mixing in sliding contact
Towardsmultiscalematerialmodelingviacomputersimulations
Mechanical mixing in sliding contact
Towardsmultiscalematerialmodelingviacomputersimulations
fromnanoscaletomacroscale: flowinporousmedia
...ormaybenano-particleaglomerationanddeposition
structuraltransformationduetothecombinedeffectoftemperatureandpressure
frictionstressfallswithtemperature
mechanicalalloyingatslidinginterface
embeddedatomspongesandevolutionofmetallicfoamwalls
transportofreacting/agglomeratingparticlesinporousmedia
Towardsmultiscalematerialmodelingviacomputersimulations
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