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• W4289550076 abstract "Abstract Unlike conventional first-order phase transitions, the kinetics of amorphous-amorphous transitions has been much less studied. The ultrasonic experiments on the transformations between low-density and high-density amorphous ice induced by pressure or heating provided the pressure and temperature dependencies of elastic moduli. In this article, we make an attempt to build a microscopic picture of these experimentally studied transformations using the molecular dynamics method with the TIP4P/Ice water model. We study carefully the dependence of the results of elastic constants calculations on the deformation rates. The system size effects are considered as well. The comparison with the experimental data enriches our understanding of the transitions observed. Our modeling gives new information about the formation mechanisms of new phase clusters during the transition between low-density and high-density amorphous ices. We analyse the applicability of the term “nucleation” for these processes." @default.
• W4289550076 created "2022-08-03" @default.
• W4289550076 creator A5024514575 @default.
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• W4289550076 date "2022-08-03" @default.
• W4289550076 modified "2023-10-17" @default.
• W4289550076 title "Molecular dynamics analysis of elastic properties and new phase formation during amorphous ices transformations" @default.
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• W4289550076 doi "https://doi.org/10.1038/s41598-022-17666-2" @default.
• W4289550076 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/35922440" @default.
• W4289550076 hasPublicationYear "2022" @default.
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