引用本文:
刘新, 孟长功, 刘长厚. 升温速率对金属铅的熔化和过热行为的影响[J]. 物理化学学报,
2003, 19(08): 681-685.
doi:
10.3866/PKU.WHXB20030801
Citation: Liu Xin, Meng Chang- ng, Liu Chang-Hou. Heating Rate Induced Melting and Superheating of Pb[J]. Acta Physico-Chimica Sinica, 2003, 19(08): 681-685. doi: 10.3866/PKU.WHXB20030801
Citation: Liu Xin, Meng Chang- ng, Liu Chang-Hou. Heating Rate Induced Melting and Superheating of Pb[J]. Acta Physico-Chimica Sinica, 2003, 19(08): 681-685. doi: 10.3866/PKU.WHXB20030801
升温速率对金属铅的熔化和过热行为的影响
摘要:
采用分子动力学方法和QSC(quantum Sutton-Chen)力场研究了升温速率对金属铅的熔化和过热行为的影响.模拟中考虑了缺陷和表面对熔化和过热行为的作用.结果表明，升温速率对金属铅的熔化和过热行为影响很大，随着升温速率的升高，金属铅的熔点有所升高.快的升温速率会导致金属铅体系内部无序化程度增加，进而使体系能量增加，降低了熔化相变的能垒.升温速率导致的金属铅的过热极限大约为780 K.
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关键词:
- 分子动力学模拟;熔化;过热;金属铅
English
Heating Rate Induced Melting and Superheating of Pb
Abstract:
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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