Solid-Liquid Interfacial Energy and Melting Properties of Nickel under Pressure from Molecular Dynamics
文献类型：期刊论文
| 作者 | F. Luo ; X. R. Chen ; L. C. Cai ; G. F. Ji |
| 刊名 | Journal of Chemical and Engineering Data
 |
| 出版日期 | 2010 |
| 卷号 | 55期号:11页码:5149-5155 |
| 关键词 | state shock hugoniots diamond-anvil cell atomistic simulation thermal-expansion tantalum mo temperature ta ni al |
| ISSN号 | 0021-9568 |
| 中文摘要 | We carried out molecular dynamics (MD) simulations with the quantum-corrected Sutton-Chen (Q-SC) potential to compute the thermal equation of state (EOS), the solid-liquid interfacial energy, and inciting properties of nickel. We simulate the melting with two methods, the hysteresis (one-phase) approach and the solid-liquid coexistence (two-phase) approach. These methods strongly reduced the overheating, and their results are in the close proximity over a large range of pressure. The melting temperature at ambient pressure is in accordance with the diamond anvil cell (DAC) experiment values. With a superheating and undercooling method, solid-liquid interfacial energy as a function of pressure is exhibited. Moreover, the thermal EOS has been investigated, and the linear thermal expansivity as a function of temperature has also been obtained successfully. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/31350]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 推荐引用方式 GB/T 7714 | F. Luo,X. R. Chen,L. C. Cai,et al. Solid-Liquid Interfacial Energy and Melting Properties of Nickel under Pressure from Molecular Dynamics[J]. Journal of Chemical and Engineering Data,2010,55(11):5149-5155. |
| APA | F. Luo,X. R. Chen,L. C. Cai,&G. F. Ji.(2010).Solid-Liquid Interfacial Energy and Melting Properties of Nickel under Pressure from Molecular Dynamics.Journal of Chemical and Engineering Data,55(11),5149-5155. |
| MLA | F. Luo,et al."Solid-Liquid Interfacial Energy and Melting Properties of Nickel under Pressure from Molecular Dynamics".Journal of Chemical and Engineering Data 55.11(2010):5149-5155. |
入库方式： OAI收割
来源：金属研究所
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