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Thermodynamics of high-pressure ice phases explored with atomistic simulations

Most experimentally known high-pressure ice phases have a body-centred cubic (bcc) oxygen lattice. Our large-scale molecular-dynamics simulations with a machine-learning potential indicate that, amongst these bcc ice phases, ices VII, VII′ and X are the same thermodynamic phase under different condi...

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Detalles Bibliográficos
Autores principales: Reinhardt, Aleks, Bethkenhagen, Mandy, Coppari, Federica, Millot, Marius, Hamel, Sebastien, Cheng, Bingqing
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9365810/
https://www.ncbi.nlm.nih.gov/pubmed/35948550
http://dx.doi.org/10.1038/s41467-022-32374-1