High-pressure simulations of atom-vacancy solid solution

D. Fuks; S. Dorfman; G. Ackland

doi:10.4028/www.scientific.net/ddf.143-147.161

High-pressure simulations of atom-vacancy solid solution

D. Fuks, S. Dorfman, G. Ackland

Department of Materials Engineering

Research output: Contribution to journal › Article › peer-review

Abstract

The thermodynamic properties (TP) of atom-vacancy copper-based solid solutions are investigated in Molecular Dynamic calculations with N-body potentials. We show the possibility to analyze the vacancy concentration dependence of TP in the high pressure simulations. Pressure-induced TP of atom-vacancy solid solution prove the necessity of accounting the peculiarities of the crystal potential response in the study of vacancy-driven properties of solids.

Original language	English
Pages (from-to)	161-164
Number of pages	4
Journal	Defect and Diffusion Forum
Volume	143-147
DOIs	https://doi.org/10.4028/www.scientific.net/ddf.143-147.161
State	Published - 1 Jan 1997

Keywords

Atom-vacancy solid solution
N-body potentials
Thermodynamic properties

ASJC Scopus subject areas

Radiation
General Materials Science
Condensed Matter Physics

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10.4028/www.scientific.net/ddf.143-147.161

Cite this

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N2 - The thermodynamic properties (TP) of atom-vacancy copper-based solid solutions are investigated in Molecular Dynamic calculations with N-body potentials. We show the possibility to analyze the vacancy concentration dependence of TP in the high pressure simulations. Pressure-induced TP of atom-vacancy solid solution prove the necessity of accounting the peculiarities of the crystal potential response in the study of vacancy-driven properties of solids.

AB - The thermodynamic properties (TP) of atom-vacancy copper-based solid solutions are investigated in Molecular Dynamic calculations with N-body potentials. We show the possibility to analyze the vacancy concentration dependence of TP in the high pressure simulations. Pressure-induced TP of atom-vacancy solid solution prove the necessity of accounting the peculiarities of the crystal potential response in the study of vacancy-driven properties of solids.

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KW - N-body potentials

KW - Thermodynamic properties

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ER -

High-pressure simulations of atom-vacancy solid solution

Abstract

Keywords

ASJC Scopus subject areas

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