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Temperature-pressure phase diagram of confined monolayer water/ice at first-principles accuracy with a machine-learning force field

Understanding the phase behaviour of nanoconfined water films is of fundamental importance in broad fields of science and engineering. However, the phase behaviour of the thinnest water film – monolayer water – is still incompletely known. Here, we developed a machine-learning force field (MLFF) at...

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Detalles Bibliográficos
Autores principales: Lin, Bo, Jiang, Jian, Zeng, Xiao Cheng, Li, Lei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10336112/
https://www.ncbi.nlm.nih.gov/pubmed/37433823
http://dx.doi.org/10.1038/s41467-023-39829-z