Energetics and kinetics of direct phase conversion from graphite to diamond
文献类型：期刊论文
| 作者 | Wang, JT |
| 刊名 | SCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY
 |
| 出版日期 | 2013 |
| 卷号 | 56期号:12页码:2266 |
| 关键词 | carbon high pressure phase transformation ab initio calculations |
| ISSN号 | 1674-7348 |
| 通讯作者 | Wang, JT (reprint author), Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China. |
| 中文摘要 | The atomistic mechanism for direct conversion of graphite to diamond is a long-standing problem in condensed matter physics. The newly identified cold-compressed graphite phases of M, W and O eat-boil provide a crucial link to understand the graphite-to-diamond phase transformation. We demonstrate by ab initio calculations that pressure has a dual role in lowering the conversion barrier and enhancing the production stability during the first-stage cold-compressed phase conversion of graphite toward the intermediate metastable M, W and O carbon phases. However, it has little effect on the relative enthalpy and high conversion barrier during the second-stage conversion process toward the diamond polytypes, showing a temperature dominated conversion process. These results may give explanation regarding the necessity of high pressure and high temperature during the graphite-to-diamond reaction. |
| 资助信息 | National Natural Science Foundation of China [11274356]; Ministry of Environmental Protection of China [200909086, 201109037] |
| 语种 | 英语 |
| 公开日期 | 2014-01-16 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/56963]  |
| 专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
| 推荐引用方式 GB/T 7714 | Wang, JT. Energetics and kinetics of direct phase conversion from graphite to diamond[J]. SCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY,2013,56(12):2266. |
| APA | Wang, JT.(2013).Energetics and kinetics of direct phase conversion from graphite to diamond.SCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY,56(12),2266. |
| MLA | Wang, JT."Energetics and kinetics of direct phase conversion from graphite to diamond".SCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY 56.12(2013):2266. |
入库方式： OAI收割
来源：物理研究所
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