Abstract
The thermodynamic properties (TP) of atom-vacancy solid solutions are investigated with moleculardynamics calculations using N-body potentials. For the example of copper we analyze the vacancy concentration dependence of TP in the high-pressure simulations. Calculated pressure-induced TP of atom-vacancy solid solutions in copper prove the necessity of accounting the peculiarities of the crystal structure and potential in the study of vacancy-driven properties of solids.
Original language | English |
---|---|
Pages (from-to) | 9726-9729 |
Number of pages | 4 |
Journal | Physical review B |
Volume | 54 |
Issue number | 14 |
Publication status | Published - 1 Oct 1996 |
Keywords / Materials (for Non-textual outputs)
- 2-DIMENSIONAL BINARY ALLOY
- SELF-DIFFUSION
- NOBLE-METALS
- TRANSITION
- DEPENDENCE
- KINETICS
- SILICON