| Molecular dynamics of MgSiO3 perovskite melting |
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| 引用本文： | 刘子江,程新路,杨向东,张红,蔡灵仓. Molecular dynamics of MgSiO3 perovskite melting[J]. 中国物理, 2006, 15(1): 224-228 |
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| 作者姓名： | 刘子江 程新路 杨向东 张红 蔡灵仓 |
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| 作者单位： | Institute of Atomic and Molecular Physics, Sichuan University,Chengdu 610065, China;Department of Physics, Lanzhou Teachers College, Lanzhou 730070, China;Institute of Atomic and Molecular Physics, Sichuan University,Chengdu 610065, China;Institute of Atomic and Molecular Physics, Sichuan University,Chengdu 610065, China;Institute of Atomic and Molecular Physics, Sichuan University,Chengdu 610065, China;Laboratory for Shock Wave and Detonation Physics Research, Southwest Institute of Fluid Physics, China Academy of Engineering Physics,Mianyang 621900, China |
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| 基金项目： | Project supported by the National Natural Science Foundation of China (Grant Nos 10274055 and 10376021),the Natural Science Foundation of Gansu Province, China (Grant No 3ZS051-A25-027) and the Scientific Research Foundation of Education Bureau of Gansu Province, China (Grant No 0410-01). |
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| 摘 要： |
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| 关 键 词： | 分子动力学 MgSiO3钙钛矿 熔化温度 高压 |
| 收稿时间： | 2005-01-12 |
| 修稿时间： | 2005-05-08 |
Molecular dynamics of MgSiO3 perovskite melting |
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| Liu Zi-Jiang,Cheng Xin-Lu,Yang Xiang-Dong,Zhang Hong and Cai Ling-Cang. Molecular dynamics of MgSiO3 perovskite melting[J]. Chinese Physics, 2006, 15(1): 224-228 |
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| Authors: | Liu Zi-Jiang Cheng Xin-Lu Yang Xiang-Dong Zhang Hong Cai Ling-Cang |
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| Affiliation: | Institute of Atomic and Molecular Physics, Sichuan University,Chengdu 610065, China; Institute of Atomic and Molecular Physics, Sichuan University,Chengdu 610065, China;Department of Physics, Lanzhou Teachers College, Lanzhou 730070, China; Laboratory for Shock Wave and Detonation Physics Research, Southwest Institute of Fluid Physics, China Academy of Engineering Physics,Mianyang 621900, China |
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| Abstract: | The melting curve of MgSiO分子动力学 MgSiO3钙钛矿 熔化温度 高压melting temperature, molecular dynamics, high pressureProject supported by the National Natural Science Foundation of China (Grant Nos 10274055 and 10376021),the Natural Science Foundation of Gansu Province, China (Grant No 3ZS051-A25-027) and the Scientific Research Foundation of Education Bureau of Gansu Province, China (Grant No 0410-01).2005-01-125/8/2005 12:00:00 AMThe melting curve of MgSiO3 perovskite is simulated using molecular dynamics simulations method at high pressure. It is shown that the simulated equation of state of MgSiO3 perovskite is very successful in reproducing accurately the experimental data. The pressure dependence of the simulated melting temperature of MgSiO3 perovskite reproduces the stability of the orthorhombic perovskite phase up to high pressure of 130GPa at ambient temperature, consistent with the theoretical data of the other calculations. It is shown that its transformation to the cubic phase and melting at high pressure and high temperature are in agreement with recent experiments. |
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| Keywords: | melting temperature molecular dynamics high pressure |
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