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...

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Detalles Bibliográficos
Autores principales: López, J.D., Diosa, J.E., García, G., Mosquera, E., Correa, H.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2022
Materias:
Research Article
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

Internet

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

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