Temperature-dependent potential for the molecular dynamics of the superionic conductor β-PbF2
Molecular dynamic (MD) calculations were performed to investigate the thermodynamic and structural properties of lead fluoride (PbF2) by using a proposed inter-ionic temperature-dependent potential. This potential allows calculating with high precision the linear thermal expansivity and the lattice...
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| Главные авторы: | , , , , |
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| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
Elsevier
2022-03-01
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| Серии: | Heliyon |
| Предметы: | |
| Online-ссылка: | http://www.sciencedirect.com/science/article/pii/S2405844022003140 |
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