High-Pressure Simulations of Atom-Vacancy Solid Solution Academic Article uri icon

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.

publication date

  • January 1, 1997