ATOMISTIC CALCULATIONS OF SURFACE ENERGY OF SPHERICAL COPPER SURFACES

查看全文 作　　者：Jianjun [1]Bian;Gangfeng [1]Wang;Xiqiao [2]Feng

机构地区：[1]SVL, Department of Engineering Mechanics, Xi’an Jiaotong University;[2]Department of Engineering Mechanics, Tsinghua University

出　　处：《Acta Mechanica Solida Sinica》索引2012年第25卷第6期,共5页

基　　金：supported by the the NCET Program and the SRF for ROCS of the Ministry of Education;the National Natural Science Foundation of China (No.11072186) 摘　　要：Surface plays an important role in the physical and mechanical behavior of nanostructured materials and elements, however surface energy of curved solid surfaces has not been fully understood. In the present letter, surface energy of spherical particles and cavities in FCC copper is calculated by embedded atom method. The numerical simulations reveal that the distribution of atom energy is non-uniform on the curved surfaces. However, when the radius of spherical cavity or particle is larger than 4 nm, the average surface energy density keeps almost constant irrespective of its location and radius. 关键词：原子计算球形颗粒表面能铜粉能量密度嵌入原子法固体表面数值模拟

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ATOMISTIC CALCULATIONS OF SURFACE ENERGY OF SPHERICAL COPPER SURFACES

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