The pressure induced phase transition of confined water from ab initio molecular dynamics simulation

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	The pressure induced phase transition of confined water from ab initio molecular dynamics simulation
	Meng, S ; Wang, EG ; Gao, SW
刊名	JOURNAL OF PHYSICS-CONDENSED MATTER
	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
内容类型	期刊论文
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.