The Melting Curves and Entropy of Iron under High Pressure
文献类型：期刊论文
| 作者 | F. Luo ; Y. Cheng ; X. R. Chen ; L. C. Cai ; F. Q. Jing |
| 刊名 | Journal of Chemical and Engineering Data
 |
| 出版日期 | 2011 |
| 卷号 | 56期号:5页码:2063-2070 |
| 关键词 | molecular-dynamics simulations situ x-ray earths core in-situ mgsio3 perovskite phase-diagram temperatures transition mgo physics |
| ISSN号 | 0021-9568 |
| 中文摘要 | The melting curves of iron over a wide range of pressures were determined by the molecular dynamics (MD) simulations with the Sutton-Chen version of EAM (embedded atom method). The melting of iron was simulated with two methods, that is, the hysteresis (one-phase) approach and the two-phase approach. Both methods strongly reduced the overheating, and their results are in the close proximity at the applied pressures. The obtained melting curves are consistent with both the diamond anvil cell (DAC) experiments at ambient pressure and the shock wave (SW) measurements at high pressure. During the investigation of the atomic structures of iron, we found a slight increase in the coordination number on melting. When taking account of the ultrapressure melting curves obtained by the Clausius-Clapeyron slope, we found that the starting point is the key to determine the melting curves, and the melting temperatures computed by the Clausius-Clapeyron slope might change dramatically if the initial temperatures change. Finally, the thermal equation of state (EOS) and the pressure dependence of entropy of fusion AS of iron have also been obtained. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/30572]  |
| 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,Y. Cheng,X. R. Chen,et al. The Melting Curves and Entropy of Iron under High Pressure[J]. Journal of Chemical and Engineering Data,2011,56(5):2063-2070. |
| APA | F. Luo,Y. Cheng,X. R. Chen,L. C. Cai,&F. Q. Jing.(2011).The Melting Curves and Entropy of Iron under High Pressure.Journal of Chemical and Engineering Data,56(5),2063-2070. |
| MLA | F. Luo,et al."The Melting Curves and Entropy of Iron under High Pressure".Journal of Chemical and Engineering Data 56.5(2011):2063-2070. |
入库方式： OAI收割
来源：金属研究所
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