Abstract
The molecular dynamics investigation of plastic deformation initiation has shown that at the first stage local structural distortions, i.e. protodefects that give rise to conventional lattice defects, are generated. We study in detail the dynamics of atomic displacements that govern protodefect nucleation. The calculations illustrate that protodefect formation is induced by a local expansion of atomic volume. The stage-by-stage generation of protodefects in the conditions of relaxation unambiguously correlates with potential energy variation in the crystallite.
| Original language | English |
|---|---|
| Pages (from-to) | 57-60 |
| Number of pages | 4 |
| Journal | Materials Science Forum |
| Volume | 567-568 |
| Publication status | Published - 2008 |
Keywords
- Atomic structure
- Deformation
- Molecular dynamics simulations
- Structural defects
- Thermal fluctuations
ASJC Scopus subject areas
- Materials Science(all)
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Psakhie, S. G., Zolnikov, K. P., & Kryzhevich, D. S. (2008). Molecular dynamic study of proto-faults generation as an atomistic mechanism of incipient plasticity during high-speed loading in ideal crystal. Materials Science Forum, 567-568, 57-60.