- PII
- S3034553725090135-1
- DOI
- 10.7868/S3034553725090135
- Publication type
- Article
- Status
- Published
- Authors
- Volume/ Edition
- Volume 99 / Issue number 9
- Pages
- 1394-1402
- Abstract
- Using pair correlation functions of liquid gold Waseda, the pair contributions to the EAM potentials at temperatures of 1423, 1573, 1773, and 1973 K are calculated using the Schommers algorithm. The parameters of the embedded potential were found taking into account the temperature dependence of the density, energy and compressibility of liquid gold. At 1973 K the diffraction data are not accurate enough for further calculations. It is shown that the EAM potential calculated at 1423 K allows us to build sufficiently adequate models of gold at temperatures up to 3000 K. The calculated self-diffusion coefficients are 25–30% lower than those obtained on the basis of the effective medium theory, but in general the computer calculations of atomic mobility agree quite well.
- Keywords
- золото жидкий металл модель погруженного атома (EAM) парный потенциал алгоритм Шоммерса парная корреляционная функция самодиффузия
- Date of publication
- 13.03.2026
- Year of publication
- 2026
- Number of purchasers
- 0
- Views
- 30
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