Structural variation of expanded fluid mercury during M-NM transition: A reverse Monte Carlo study

	Structural variation of expanded fluid mercury during M-NM transition: A reverse Monte Carlo study
	Hong XG(洪新国); Hong, XG
刊名	JOURNAL OF NON-CRYSTALLINE SOLIDS
	2007
卷号	353 期号:32-40 页码:3399-3404
关键词	liquid alloys and liquid metals liquid crystals and molecular liquids modeling and simulation structure fluctuations short-range order X-rays X-rays diffraction
通讯作者	Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China
英文摘要	The structure of fluid Hg during the metal-non-metal transition has been modelled by Reverse Monte Carlo simulation in terms of the structural factors S(Q) measured by X-ray diffraction at SPring-8. The full region of S(Q) including S(0) was employed in the simulation so as to take the effect of fluctuation phenomenon into account. The modelling reveals that as the M-NM transition is approached, the distribution of coordination numbers, P(N), of the first-neighbor shell broadens obviously and shifts to lower values, supporting the speculation of Franz's model. Furthermore, the coordination number Ps(N), denoted for atoms with a shorter bond, changes markedly in width and average value, while much smaller is found for that of longer bond as the density decreases. The variation of P-s(N) of the atoms with the shorter bond are directly related to the M-NM transition of fluid Hg. (c) 2007 Published by Elsevier B.V.
学科主题	Materials Science
类目[WOS]	Materials Science, Ceramics ; Materials Science, Multidisciplinary
研究领域[WOS]	Materials Science
原文出处	SCI
语种	英语
WOS记录号	WOS:000250235200084
内容类型	期刊论文
源URL	[http://ir.ihep.ac.cn/handle/311005/239906]
专题	高能物理研究所_多学科研究中心
作者单位	中国科学院高能物理研究所
推荐引用方式 GB/T 7714	Hong XG,Hong, XG. Structural variation of expanded fluid mercury during M-NM transition: A reverse Monte Carlo study[J]. JOURNAL OF NON-CRYSTALLINE SOLIDS,2007,353(32-40):3399-3404.
APA	洪新国,&Hong, XG.(2007).Structural variation of expanded fluid mercury during M-NM transition: A reverse Monte Carlo study.JOURNAL OF NON-CRYSTALLINE SOLIDS,353(32-40),3399-3404.
MLA	洪新国,et al."Structural variation of expanded fluid mercury during M-NM transition: A reverse Monte Carlo study".JOURNAL OF NON-CRYSTALLINE SOLIDS 353.32-40(2007):3399-3404.