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 |
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Keywords
- Atomic structure
- Deformation
- Molecular dynamics simulations
- Structural defects
- Thermal fluctuations
ASJC Scopus subject areas
- Materials Science(all)
Cite this
Molecular dynamic study of proto-faults generation as an atomistic mechanism of incipient plasticity during high-speed loading in ideal crystal. / Psakhie, S. G.; Zolnikov, K. P.; Kryzhevich, D. S.
In: Materials Science Forum, Vol. 567-568, 2008, p. 57-60.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Molecular dynamic study of proto-faults generation as an atomistic mechanism of incipient plasticity during high-speed loading in ideal crystal
AU - Psakhie, S. G.
AU - Zolnikov, K. P.
AU - Kryzhevich, D. S.
PY - 2008
Y1 - 2008
N2 - 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.
AB - 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.
KW - Atomic structure
KW - Deformation
KW - Molecular dynamics simulations
KW - Structural defects
KW - Thermal fluctuations
UR - http://www.scopus.com/inward/record.url?scp=38549182441&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=38549182441&partnerID=8YFLogxK
M3 - Article
VL - 567-568
SP - 57
EP - 60
JO - Materials Science Forum
JF - Materials Science Forum
SN - 0255-5476
ER -