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发布时间：2023-03-20
发表时间：2022-10-09
发表刊物：物理化学学报
所属单位：化工学院
期号：8
页面范围：681-685
ISSN号：1000-6818
摘要：Molecular dynamics simulations are employed to study heating rate induced superheating and melting behaviors of bulk Pb. Quantum Sutton-Chen many body: potential is used for these simulations. The superheating and melting behavior are found to be strongly affected by the heating rate, the rapid the heating rate, the higher the melting temperature and there is an upper limit for the heating rate induce superheating. Stability study shows that heating rate induced randomization is the main reason to eliminate the energy barrier for phase transformation to occur. Not only Pb crystals but also Pb crystals with defects are studied. And the upper limit of heating rate induced superheating is determined to be around 780 K.
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