The pressure induced phase transition of confined water from ab initio molecular dynamics simulation
文献类型：期刊论文
| 作者 | Meng, S ; Wang, EG ; Gao, SW |
| 刊名 | JOURNAL OF PHYSICS-CONDENSED MATTER
 |
| 出版日期 | 2004 |
| 卷号 | 16期号:49页码:8851 |
| 关键词 | DENSITY-FUNCTIONAL THEORY TOTAL-ENERGY CALCULATIONS WAVE BASIS-SET LIQUID WATER VYCOR GLASS COMPUTER-SIMULATION ICE INTERFACE METALS |
| ISSN号 | 0953-8984 |
| 通讯作者 | Meng, S (reprint author), Chalmers Univ Technol, Dept Appl Phys, SE-41296 Gothenburg, Sweden. |
| 中文摘要 | We present an ab initio molecular dynamics study of pressure induced melting of an ice thin film confined between two parallel metal surfaces. The ice-to-water phase transition was observed at a pressure of roughly 0.5 GPa, when the film was compressed by 6.6%. The latter is in agreement with the volume change in the melting of bulk ice. The effects of nonadiabatic compression on the layer-dependent momentum distribution and the electronic redistribution at the interfaces are presented and discussed. |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2013-09-23 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/45412]  |
| 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 | Meng, S,Wang, EG,Gao, SW. The pressure induced phase transition of confined water from ab initio molecular dynamics simulation[J]. JOURNAL OF PHYSICS-CONDENSED MATTER,2004,16(49):8851. |
| APA | Meng, S,Wang, EG,&Gao, SW.(2004).The pressure induced phase transition of confined water from ab initio molecular dynamics simulation.JOURNAL OF PHYSICS-CONDENSED MATTER,16(49),8851. |
| MLA | Meng, S,et al."The pressure induced phase transition of confined water from ab initio molecular dynamics simulation".JOURNAL OF PHYSICS-CONDENSED MATTER 16.49(2004):8851. |
入库方式： OAI收割
来源：物理研究所
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