Аннотация
A model of binding forces in metals and alloys, based on the density functional theory and accounted effects of the many-body interactions, was proposed. The developed method can be easily applied for study of metals and alloys by the molecular dynamics simulation. The potentials of interatomic interactions have been found by the proposed method and applied for calculations of equation of state, elastic moduli and phonon dispersion in metals Ni, Al, alloys NiAl and NiaAl. Results of the calculations are in good agreement with known experimental data both for pure metals and alloys.
Язык оригинала | Английский |
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Страницы (с-по) | 429-433 |
Число страниц | 5 |
Журнал | Journal of Materials Science and Technology |
Том | 14 |
Номер выпуска | 5 |
Состояние | Опубликовано - 1 дек 1998 |
ASJC Scopus subject areas
- Ceramics and Composites
- Mechanics of Materials
- Mechanical Engineering
- Polymers and Plastics
- Metals and Alloys
- Materials Chemistry