IMECH-IR  > 力学所知识产出(1956-2008)
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.
Source PublicationChinese Physics Letters
AbstractWe 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.
KeywordMolecular-dynamics Transition-metals Body Potentials Clusters Particles Point
Indexed BySCI
WOS IDWOS:000225056300026
WOS Research AreaPhysics
WOS SubjectPhysics, Multidisciplinary
Citation statistics
Cited Times:6[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Corresponding AuthorZhu, RZ (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100080, Peoples R China.
Recommended Citation
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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