Surface-induced melting of metal nanoclusters

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	Surface-induced melting of metal nanoclusters
	Yang QW(杨全文); Zhu RC(朱如曾); Wei JA(魏久安); Wen YH(文玉华); Zhu, RZ (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100080, Peoples R China.
发表期刊	Chinese Physics Letters
	2004
卷号	21 期号:11 页码:2171-2174
ISSN	0256-307X
摘要	We investigate the size effect on melting of metal nanoclusters by molecular dynamics simulation and thermo dynamic theory based on Kofman's melt model. By the minimization of the free energy of metal nanoclusters with respect to the thickness of the surface liquid layer, it has been found that the nanoclusters of the same metal have the same premelting temperature T-pre = T-0 - T-0(gamma(su) - gamma(lv) - gamma(sl))/(rhoLxi) (T-0 is the melting point of bulk metal, gamma(sv) the solid-vapour interfacial free energy, gamma(sl) the liquid-vapour interfacial free energy, gamma(sl),l the solid-liquid interfacial free energy, p the density of metal, L the latent heat of bulk metal, and xi the characteristic length of surface-interface interaction) to be independent of the size of nanoclusters, so that the characteristic length of a metal can be obtained easily by T-pre, which can be obtained by experiments or molecular dynamics (MD) simulations. The premelting temperature T-pre of Cu is obtained by AID simulations, then xi is obtained. The melting point T-cm is further predicted by free energy analysis and is in good agreement with the result of our MD simulations. We also predict the maximum premelting-liquid width of Cu nanoclusters with various sizes and the critical size, below which there is no premelting.
关键词	Molecular-dynamics Transition-metals Body Potentials Clusters Particles Point
收录类别	SCI ; EI ; CSCD
语种	英语
WOS记录号	WOS:000225056300026
关键词[WOS]	MOLECULAR-DYNAMICS ; TRANSITION-METALS ; BODY POTENTIALS ; CLUSTERS ; PARTICLES ; POINT
WOS研究方向	Physics
WOS类目	Physics, Multidisciplinary
引用统计	被引频次：6[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://dspace.imech.ac.cn/handle/311007/33743
专题	力学所知识产出(1956-2008)
通讯作者	Zhu, RZ (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100080, Peoples R China.
推荐引用方式 GB/T 7714	Yang QW,Zhu RC,Wei JA,et al. Surface-induced melting of metal nanoclusters[J]. Chinese Physics Letters,2004,21,11,:2171-2174.
APA	杨全文,朱如曾,魏久安,文玉华,&Zhu, RZ .(2004).Surface-induced melting of metal nanoclusters.Chinese Physics Letters,21(11),2171-2174.
MLA	杨全文,et al."Surface-induced melting of metal nanoclusters".Chinese Physics Letters 21.11(2004):2171-2174.

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