4.5 Article

Temperature-dependent phase transformation of ice-1h under ultrafast uniaxial compression: A molecular dynamics simulation

期刊

COMPUTATIONAL MATERIALS SCIENCE
卷 162, 期 -, 页码 340-348

出版社

ELSEVIER SCIENCE BV
DOI: 10.1016/j.commatsci.2019.03.013

关键词

Ice; Phase transformation; Dynamic behaviour; Molecular dynamics

资金

  1. National Natural Science Foundation of China [11802349, 11772363, 11772347]

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The temperature and strain rate-dependent compressive behaviour of ice-1h was investigated through molecular dynamics simulations. The ice strength increased in response to a decrease in the initial temperature and an increase in the strain rate. Various deformation mechanisms depended on the ice's initial temperature. Solid-liquid phase transformation was more likely to at a relatively high temperature. However, solid-solid phase transformation and dislocation-like glide were observed at relatively low temperatures. Experimental observations on the strength versus strain rate relationship of ice could be interpreted based on a prior study by Wu and Prakash [1].

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