The effect of Si and S on the stability of bcc iron with respect to tetragonal strain at the Earth's inner core conditions
文献类型：期刊论文
| 作者 | Cui, Hang; Zhang, Zhigang; Zhang, Yigang |
| 刊名 | GEOPHYSICAL RESEARCH LETTERS
 |
| 出版日期 | 2013-06-28 |
| 卷号 | 40期号:12页码:2958-2962 |
| 关键词 | Earth's inner core Phase stability first principles body centered cubic tetragonal strain thermodynamic integration |
| ISSN号 | 0094-8276 |
| DOI | 10.1002/grl.50582 |
| 文献子类 | Article |
| 英文摘要 | The Earth's inner core is primarily composed of iron, but the stable crystalline structure of iron under core conditions still remains uncertain. The body-centered cubic (bcc) phase has been suggested as a possible candidate to explain the observed seismic complexity, but its stability at core conditions is highly disputed. In this study, we utilized thermodynamic integration techniques based on extensive first-principles molecular dynamics simulations to analyze the combining effects of high temperature and impurities on the stability of bcc structure with respect to tetragonal strain. According to our simulations, a small amount of Si/S permitted by seismological data at high temperature increases the stability of the bcc structure at high pressure, but not enough to achieve complete stability. This means the bcc-structured iron is highly unlikely to present in the Earth's inner core. |
| WOS关键词 | GENERALIZED-GRADIENT APPROXIMATION ; CENTERED-CUBIC IRON ; HIGH-PRESSURE ; TEMPERATURE ; ALLOY |
| WOS研究方向 | Geology |
| 语种 | 英语 |
| WOS记录号 | WOS:000321951300015 |
| 出版者 | AMER GEOPHYSICAL UNION |
| 资助机构 | National Natural Science Foundation of China(41020134003 ; National Natural Science Foundation of China(41020134003 ; 90914010 ; 90914010 ; 40973048) ; 40973048) ; National Natural Science Foundation of China(41020134003 ; National Natural Science Foundation of China(41020134003 ; 90914010 ; 90914010 ; 40973048) ; 40973048) ; National Natural Science Foundation of China(41020134003 ; National Natural Science Foundation of China(41020134003 ; 90914010 ; 90914010 ; 40973048) ; 40973048) ; National Natural Science Foundation of China(41020134003 ; National Natural Science Foundation of China(41020134003 ; 90914010 ; 90914010 ; 40973048) ; 40973048) |
| 源URL | [http://ir.iggcas.ac.cn/handle/132A11/86854]  |
| 专题 | 中国科学院地质与地球物理研究所 |
| 通讯作者 | Cui, Hang |
| 作者单位 | Chinese Acad Sci, Inst Geol & Geophys, Key Lab Earths Deep Interior, Beijing 100029, Peoples R China |
| 推荐引用方式 GB/T 7714 | Cui, Hang,Zhang, Zhigang,Zhang, Yigang. The effect of Si and S on the stability of bcc iron with respect to tetragonal strain at the Earth's inner core conditions[J]. GEOPHYSICAL RESEARCH LETTERS,2013,40(12):2958-2962. |
| APA | Cui, Hang,Zhang, Zhigang,&Zhang, Yigang.(2013).The effect of Si and S on the stability of bcc iron with respect to tetragonal strain at the Earth's inner core conditions.GEOPHYSICAL RESEARCH LETTERS,40(12),2958-2962. |
| MLA | Cui, Hang,et al."The effect of Si and S on the stability of bcc iron with respect to tetragonal strain at the Earth's inner core conditions".GEOPHYSICAL RESEARCH LETTERS 40.12(2013):2958-2962. |
入库方式： OAI收割
来源：地质与地球物理研究所
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