The microscopic mechanism of bulk melting of ice

نویسندگان

چکیده

We study the initial stages of homogeneous melting a hexagonal ice crystal at coexistence and moderate superheating. Our trajectory-based computer simulation approach provides comprehensive picture events that lead to melting; from accumulation 5+7 defects, via formation L-D interstitial-vacancy pairs, liquid nucleus. Of different types defects we observe be involved in melting, particular kind type defect (type 5) plays prominent role as it often forms prior nucleus close site where forms. Hence, like other solids, homogeneously melts defects.

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ژورنال

عنوان ژورنال: Journal of Chemical Physics

سال: 2021

ISSN: ['1520-9032', '1089-7690', '0021-9606']

DOI: https://doi.org/10.1063/5.0064380