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

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

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.",

keywords = "Atomic structure, Deformation, Molecular dynamics simulations, Structural defects, Thermal fluctuations",

author = "Psakhie, {S. G.} and Zolnikov, {K. P.} and Kryzhevich, {D. S.}",

year = "2008",

language = "English",

volume = "567-568",

pages = "57--60",

journal = "Materials Science Forum",

issn = "0255-5476",

publisher = "Trans Tech Publications",

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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

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VL - 567-568

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JO - Materials Science Forum

JF - Materials Science Forum

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