Mechanism for direct graphite-to-diamond phase transition
文献类型：期刊论文
| 作者 | Xie, HX ; Yin, FX ; Yu, T ; Wang, JT ; Liang, CY |
| 刊名 | SCIENTIFIC REPORTS
 |
| 出版日期 | 2014 |
| 卷号 | 4 |
| ISSN号 | 2045-2322 |
| 通讯作者 | Xie, HX (reprint author), Hebei Univ Technol, Sch Mech Engn, Tianjin 300132, Peoples R China. |
| 中文摘要 | Using classical molecular dynamics with a more reliable reactive LCBOPII potential, we have performed a detailed study on the direct graphite-to-diamond phase transition. Our results reveal a new so-called "wave-like buckling and slipping" mechanism, which controls the transformation from hexagonal graphite to cubic diamond. Based on this mechanism, we have explained how polycrystalline cubic diamond is converted from hexagonal graphite, and demonstrated that the initial interlayer distance of compressed hexagonal graphite play a key role to determine the grain size of cubic diamond. These results can broaden our understanding of the high pressure graphite-to-diamond phase transition. |
| 资助信息 | National Basic Research Program of China [2011CB606402]; National Natural Science Foundation of China [11274356]; Strategic Priority Research Program of the Chinese Academy of Sciences [XDB07000000]; Youth Foundation of Hebei Educational Committee [QN2014094] |
| 语种 | 英语 |
| 公开日期 | 2015-04-14 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/59703]  |
| 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 | Xie, HX,Yin, FX,Yu, T,et al. Mechanism for direct graphite-to-diamond phase transition[J]. SCIENTIFIC REPORTS,2014,4. |
| APA | Xie, HX,Yin, FX,Yu, T,Wang, JT,&Liang, CY.(2014).Mechanism for direct graphite-to-diamond phase transition.SCIENTIFIC REPORTS,4. |
| MLA | Xie, HX,et al."Mechanism for direct graphite-to-diamond phase transition".SCIENTIFIC REPORTS 4(2014). |
入库方式： OAI收割
来源：物理研究所
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