MD simulation for nanocrystals |
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Authors: | Ma Xiling Yang Wei |
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Institution: | (1) Department of Engineering Mechanics, Tsinghua University, 100084 Beijing, China |
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Abstract: | Molecular dynamic (MD) provided anab 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 rithm is desired. The present paper reviews the recent advances in MD
simulation for nanocrstals with attention focused on the applications toward nanomechanics. The examined issues are: formation
of nanocrystalline metals, nanoindentation on nancorystals, fast deformation of nanocrystals, orderdisorder transition, and
nano-particle impact.
The project supported by the National Natural Science Foundation of China (101212202 and 90205023) |
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Keywords: | molecular dynamics nanocrystals nanoindentation stacking faults |
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