A critical assessment of interatomic potentials for modelling lattice defects in forsterite Mg[Formula: see text] SiO[Formula: see text] from 0 to 12 GPa

Five different interatomic potentials designed for modelling forsterite Mg[Formula: see text] SiO[Formula: see text] are compared to ab initio and experimental data. The set of tested properties include lattice constants, material density, elastic wave velocity, elastic stiffness tensor, free surfac...

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Detalles Bibliográficos
Autores principales: Hirel, Pierre, Furstoss, Jean, Carrez, Philippe
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Berlin Heidelberg 2021
Materias:
Original Paper
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8585851/
https://www.ncbi.nlm.nih.gov/pubmed/34789960
http://dx.doi.org/10.1007/s00269-021-01170-6

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8585851/
https://www.ncbi.nlm.nih.gov/pubmed/34789960
http://dx.doi.org/10.1007/s00269-021-01170-6

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