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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 (PbF(2)) by using a proposed inter-ionic temperature-dependent potential. This potential allows calculating with high precision the linear thermal expansivity and the lattic...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Elsevier
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8892217/ https://www.ncbi.nlm.nih.gov/pubmed/35252619 http://dx.doi.org/10.1016/j.heliyon.2022.e09026 |