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

Результат исследований: Материалы для журналаСтатья

1 цитирование (Scopus)

Выдержка

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.

Язык оригиналаАнглийский
Страницы (с-по)57-60
Число страниц4
ЖурналMaterials Science Forum
Том567-568
СостояниеОпубликовано - 2008

Отпечаток

Crystal defects
Potential energy
plastic properties
plastic deformation
Plasticity
Molecular dynamics
Plastic deformation
Nucleation
potential energy
high speed
nucleation
molecular dynamics
Crystals
expansion
defects
crystals

ASJC Scopus subject areas

  • Materials Science(all)

Цитировать

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.

В: Materials Science Forum, Том 567-568, 2008, стр. 57-60.

Результат исследований: Материалы для журналаСтатья

@article{b8dc7549b0a049afb6bab69e1dba3e3f,
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",

}

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

AN - SCOPUS:38549182441

VL - 567-568

SP - 57

EP - 60

JO - Materials Science Forum

JF - Materials Science Forum

SN - 0255-5476

ER -