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	MD simulation for nanocrystals
	Ma Xiling ; Yang Wei
	2010-05-07 ; 2010-05-07
关键词	Theoretical or Mathematical General or Review/ ab initio calculations deformation indentation molecular dynamics method nanostructured materials order-disorder transformations parallel algorithms potential energy functions reviews stacking faults/ molecular dynamic simulation ab initio simulation nanoscale mechanical behavior interatomic potential nanocrystal deformation strain rate large scale system nanosecond time duration parallel algorithm reviews nanocrystalline metal formation nanoindentation order-disorder transition nanoparticle impact stacking faults/ A6185 Modelling and computer simulation of solid structure A6146 Structure of solid clusters, nanoparticles, nanotubes and nanostructured materials A6220M Fatigue, brittleness, fracture, and cracks A6220F Deformation and plasticity A6460C Order-disorder and statistical mechanics of model systems A6470K Solid-solid transitions A6170P Stacking faults, stacking fault tetrahedra and other planar or extended defects A0130R Reviews and tutorial papers resource letters
中文摘要	Molecular dynamic (MD) provided an ab initio simulation for nano-scale mechanical behavior of materials, provided that the inter-atomic potential is accurately prescribed. MD is particularly suitable in simulating the formation, the deformation, and the evolution of nanocrystals under a fast strain rate. To tackle large scale system and nano-seconds time duration, parallel algorithm is desired. The present paper reviews the recent advances in MD simulation for nanocrystals with attention focused on the applications toward nanomechanics. The examined issues are: formation of nanocrystalline metals, nanoindentation on nanocrystals, fast deformation of nanocrystals, order-disorder transition, and nano-particle impact.
语种	英语 ; 英语
出版者	Chinese J. Mech. Press ; China
内容类型	期刊论文
源URL	[http://hdl.handle.net/123456789/16312]
专题	清华大学
推荐引用方式 GB/T 7714	Ma Xiling,Yang Wei. MD simulation for nanocrystals[J],2010, 2010.
APA	Ma Xiling,&Yang Wei.(2010).MD simulation for nanocrystals..
MLA	Ma Xiling,et al."MD simulation for nanocrystals".(2010).

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