Abstract
The thermodynamic properties (TP) of atom-vacancy solid solutions are investigated with molecular-dynamics 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 - Condensed Matter and Materials Physics |
| Volume | 54 |
| Issue number | 14 |
| DOIs | |
| State | Published - 1 Jan 1996 |
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics