High-temperature and high-pressure thermal expansivity of cubic PtC from quasi-harmonic Debye model
文献类型：期刊论文
| 作者 | X. W. Sun ; Q. F. Chen ; L. C. Cai ; X. R. Chen ; F. Q. Jing |
| 刊名 | Chemical Physics Letters
 |
| 出版日期 | 2011 |
| 卷号 | 516期号:4-6页码:158-161 |
| 关键词 | 1st-principles calculations platinum carbide bulk modulus transition phase compound minerals solids mgo |
| ISSN号 | 0009-2614 |
| 中文摘要 | The thermal expansivity of PtC with the rock-salt and zinc-blende structures under high pressures and temperatures are predicted by using first-principles density functional theory calculations combined with the quasi-harmonic Debye model. The effects of the pressures and temperatures on the P-V-T relationship and the volume thermal expansion coefficient a are successfully investigated for both two structures. It is found that the alpha increases with temperature at all pressures for zinc-blende phase and it is a weak function of temperature at high temperatures for rock-salt phase. The properties of cubic PtC are summarized in the pressure range of 0-100 GPa and the temperature up to 3000 K. (C) 2011 Elsevier B.V. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/30689]  |
| 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 | X. W. Sun,Q. F. Chen,L. C. Cai,et al. High-temperature and high-pressure thermal expansivity of cubic PtC from quasi-harmonic Debye model[J]. Chemical Physics Letters,2011,516(4-6):158-161. |
| APA | X. W. Sun,Q. F. Chen,L. C. Cai,X. R. Chen,&F. Q. Jing.(2011).High-temperature and high-pressure thermal expansivity of cubic PtC from quasi-harmonic Debye model.Chemical Physics Letters,516(4-6),158-161. |
| MLA | X. W. Sun,et al."High-temperature and high-pressure thermal expansivity of cubic PtC from quasi-harmonic Debye model".Chemical Physics Letters 516.4-6(2011):158-161. |
入库方式： OAI收割
来源：金属研究所
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