ATOMISTIC CALCULATIONS OF SURFACE ENERGY OF SPHERICAL COPPER SURFACES  

作　　者：Jianjun Bian Gangfeng Wang Xiqiao 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》2012年第6期557-561,共5页固体力学学报（英文版）

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 nanos- tructured 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 dis- tribution 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.Surface plays an important role in the physical and mechanical behavior of nanos- tructured 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 dis- tribution 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：surface energy NANOPARTICLE NANOCAVITY 

分 类 号：O485[理学—固体物理] TB383.1[理学—物理]