Showing posts with the label Molecular Dynamics MethodShow All
Transition Metal Compounds
Elastic properties of binary NiAl, NiCr and AlCr and ternary Ni2AlCr alloys from molecular dynamic and Abinitio simulation
H. Faraoun a,*, H. Aourag a , C. Esling b , J.L. Seichepine a , C. Coddet a a LERMPS, Universite´ de Technologie de Belfort-Montbe´liard, Site de S…
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Transition Metal Compounds
Structural phase transition of BeTe: an ab initio molecular dynamics study
Sebahaddin Alptekin Email author First Online: 11 August 2017 Abstract: Beryllium telluride (BeTe) with cubic zinc-blende (ZB) str…
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Pressure and Temperature Effect
Empirical potential influence and effect of temperature on the mechanical properties of pristine and defective hexagonal boron nitride
Siby Thomas 1 , K M Ajith 1 and M C Valsakumar 2 Published 5 June 2017 • © 2017 IOP Publishing Ltd Abstract The major objective of this …
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