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Size-dependent surface energy density of typically fcc metallic nanomaterials
Zhang C(张存); Yao Y(姚寅); Chen SH(陈少华); Chen, SH (reprint author), Chinese Acad Sci, Inst Mech, LNM, Beijing 100190, Peoples R China.
AbstractThe surface energy density of nano-sized structural elements exhibits an obvious size-dependent feature. To study this interesting phenomenon, atomistic calculations are carried out in the present paper for different face-centered-cubic (fcc) metallic nano-slabs. Lagrangian and Eulerian descriptions are adopted, respectively, in order to find the varying trends of surface energy densities in an initially un-deformed configuration and a current one. It is found that the Lagrangian surface energy density increases monotonically with an increase of the nano-slab's thickness in the former no matter what the surface orientation is; while the variation of the Eulerian one is indefinite. The surface relaxation parameters are further simulated for differently oriented surfaces, which gives a very good explanation for the differences between the Lagrangian and Eulerian surface energy densities. The results in this paper should be a useful supplement to theoretical studies on the surface/interface effect of nanomaterials.
KeywordNanomaterials Surface Energy Density Surface Relaxation Parameter Lagrangian Configuration Eulerian Configuration
Subject Area固体力学
Indexed BySCI ; EI
WOS IDWOS:000327533300054
Funding OrganizationNSFC [11125211, 11021262, 2012CB937500]
Citation statistics
Cited Times:28[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Corresponding AuthorChen, SH (reprint author), Chinese Acad Sci, Inst Mech, LNM, Beijing 100190, Peoples R China.
Recommended Citation
GB/T 7714
Zhang C,Yao Y,Chen SH,et al. Size-dependent surface energy density of typically fcc metallic nanomaterials[J]. COMPUTATIONAL MATERIALS SCIENCE,2014,82:372-377.
APA 张存,姚寅,陈少华,&Chen, SH .(2014).Size-dependent surface energy density of typically fcc metallic nanomaterials.COMPUTATIONAL MATERIALS SCIENCE,82,372-377.
MLA 张存,et al."Size-dependent surface energy density of typically fcc metallic nanomaterials".COMPUTATIONAL MATERIALS SCIENCE 82(2014):372-377.
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