Equations of state of CaSiO3 Perovskite: a molecular dynamics study
文献类型：期刊论文
| 作者 | Zhang, YG; Zhao, DP; Matsui, M; Guo, GJ |
| 刊名 | PHYSICS AND CHEMISTRY OF MINERALS
 |
| 出版日期 | 2006-04-01 |
| 卷号 | 33期号:2页码:126-137 |
| 关键词 | CaSiO3 perovskite molecular dynamics molar volume bulk modulus lower mantle |
| ISSN号 | 0342-1791 |
| DOI | 10.1007/s00269-006-0060-7 |
| 文献子类 | Article |
| 英文摘要 | The molar volumes and bulk moduli of CaSiO3 perovskite are calculated in the temperature range from 300 to 2,800 K and the pressure range from 0 to 143 GPa using molecular dynamics simulations that employ the breathing shell model for oxygen and the quantum correction in addition to the conventional pairwise interatomic potential models. The performance of five equations of state, i.e., the Keane, the generalized-Rydberg, the Holzapfel, the Stacey-Rydberg, and the third-order Birch-Murnaghan equations of state are examined using these data. The third-order Birch-Murnaghan equation of state is found to have a clear tendency to overestimate the bulk modulus at very high pressures. The Stacey-Rydberg equation of state degrades slightly at very high pressures along the low-temperature isotherms. In comparison, the Keane and the Holzapfel equations of state remain accurate in the whole temperature and pressure range considered in the present study. K (0)' derived from the Holzapfel equation of state also agrees best with that calculated independently from molecular dynamics simulations. The adiabatic bulk moduli of CaSiO3 perovskite along lower mantle geotherms are further calculated using the Keane and the Mie-Gruneisen-Debye equations of state. They are found to be constantly higher than those of the PREM by similar to 5%, and also very similar to those of the MgSiO3 perovskite. Our results support the view that CaSiO3 perovskite remains invisible in the Earth's lower mantle. |
| WOS关键词 | LOWER-MANTLE PRESSURES ; EARTHS LOWER MANTLE ; OF-STATE ; HIGH-TEMPERATURE ; ELASTIC PROPERTIES ; MGSIO3 PEROVSKITE ; PHASE-TRANSITION ; GEOPHYSICAL IMPLICATIONS ; STRONG COMPRESSION ; MINERAL CHEMISTRY |
| WOS研究方向 | Materials Science ; Mineralogy |
| 语种 | 英语 |
| WOS记录号 | WOS:000236487500006 |
| 出版者 | SPRINGER |
| 源URL | [http://ir.iggcas.ac.cn/handle/132A11/66292]  |
| 专题 | 中国科学院地质与地球物理研究所 |
| 通讯作者 | Zhang, YG |
| 作者单位 | 1.Chinese Acad Sci, Inst Geol & Geophys, State Key Lab Lithospher Evolut, Beijing 100029, Peoples R China 2.Ehime Univ, Geodynam Res Ctr, Matsuyama, Ehime 7908577, Japan 3.Univ Hyogo, Sch Sci, Kamigori, Hyogo 6781297, Japan |
| 推荐引用方式 GB/T 7714 | Zhang, YG,Zhao, DP,Matsui, M,et al. Equations of state of CaSiO3 Perovskite: a molecular dynamics study[J]. PHYSICS AND CHEMISTRY OF MINERALS,2006,33(2):126-137. |
| APA | Zhang, YG,Zhao, DP,Matsui, M,&Guo, GJ.(2006).Equations of state of CaSiO3 Perovskite: a molecular dynamics study.PHYSICS AND CHEMISTRY OF MINERALS,33(2),126-137. |
| MLA | Zhang, YG,et al."Equations of state of CaSiO3 Perovskite: a molecular dynamics study".PHYSICS AND CHEMISTRY OF MINERALS 33.2(2006):126-137. |
入库方式： OAI收割
来源：地质与地球物理研究所
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