High-pressure simulations of atom-vacancy solid solution

D. Fuks, S. Dorfman, G. Ackland

Research output: Book/ReportBook

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 languageEnglish
PublisherTRANS TECH PUBLICATIONS LTD
Number of pages4
Volume143-147
Publication statusPublished - 1997

Keywords

  • Atom-vacancy solid solution
  • N-body potentials
  • Thermodynamic properties

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