A universal method to calculate the surface energy density of spherical surfaces in crystals

作     者：Jian Wang Jianjun Bian Xinrui Niu Gangfeng Wang 

作者机构：Department of Engineering Mechanics SVL Xi’an Jiaotong University CASM and Department of Mechanical and Biomedical Engineering City University of Hong Kong 

出 版 物：《Acta Mechanica Sinica》 (力学学报（英文版）)

年 卷 期：2017年第33卷第1期

页      面：77-82页

核心收录：

学科分类：07[理学] 070205[理学-凝聚态物理] 08[工学] 080501[工学-材料物理与化学] 0805[工学-材料科学与工程（可授工学、理学学位）] 0703[理学-化学] 0702[理学-物理学] 

基　　金：supported by the National Natural Science Foundation of China (Grants 11272249 and 11525209) 

主　　题：Surface energy density Nanoparticle Nanocavity 

摘      要：Surface energy plays an important role in the mechanical performance of nanomaterials; however, determining the surface energy density of curved surfaces remains a challenge. In this paper, we conduct atomic simulations to calculate the surface energy density of spherical surfaces in various crystalline metals. It is found that the average surface energy density of spherical surfaces remains almost constant once its radius exceeds 5 nm. Then, using a geometrical analysis and the scaling law, we develop an analytical approach to estimate the surface energy density of spherical surfaces through that of planar surfaces. The theoretical prediction agrees well with the direct atomic simulations, and thus provides a simple and general method to calculate the surface energy density in crystals.