| 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.
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| Source Publication | COMPUTATIONAL MATERIALS SCIENCE
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| 2014-02-01 | |
| Volume | 82Pages:372-377 |
| ISSN | 0927-0256 |
| Abstract | The 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. |
| Keyword | Nanomaterials Surface Energy Density Surface Relaxation Parameter Lagrangian Configuration Eulerian Configuration |
| Subject Area | 固体力学 |
| URL | 查看原文 |
| Indexed By | SCI ; EI |
| Language | 英语 |
| WOS ID | WOS:000327533300054 |
| Funding Organization | NSFC [11125211, 11021262, 2012CB937500] |
| Department | LNM仿生材料与固体的微尺度力学 |
| Classification | 二类/Q2 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://dspace.imech.ac.cn/handle/311007/48081 |
| Collection | 非线性力学国家重点实验室 |
| Corresponding Author | Chen, 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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