Molecular dynamic study of proto-faults generation as an atomistic mechanism of incipient plasticity during high-speed loading in ideal crystal

S. G. Psakhie, K. P. Zolnikov, D. S. Kryzhevich

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1 Citation (Scopus)


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 languageEnglish
Pages (from-to)57-60
Number of pages4
JournalMaterials Science Forum
Publication statusPublished - 2008



  • Atomic structure
  • Deformation
  • Molecular dynamics simulations
  • Structural defects
  • Thermal fluctuations

ASJC Scopus subject areas

  • Materials Science(all)

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