原子与分子物理学报, 2003, 20 (2): 149, 网络出版: 2006-05-19
Atomic-scale simulation of nano-grains:structure and diffusion properties
Atomic-scale simulation of nano-grains:structure and diffusion properties
摘要
Abstract
Nanograins are characterized by a typical grain size from lto 100 nm.Mclecular dynamics aimubations have been carried out for the nanograin sphere with the diameters from 1.45 to 10.12 nm.We study the influence of grain size on structure and diffusion properties of the nanograins.The results reveal that as the grain size is reduced,the fraction of grain surface increases significantly,and the surface width is approximately constant；the diffusicn coefficlent is increased sharply,and the relation of the diffusion coefficient and the grain size is close to exponential relation below 10nm.
WENYu-hua, CHENZheng-zheng, WANGChong-yu, ZHURu-zeng. Atomic-scale simulation of nano-grains:structure and diffusion properties[J]. 原子与分子物理学报, 2003, 20(2): 149. WENYu-hua, CHENZheng-zheng, WANGChong-yu, ZHURu-zeng. Atomic-scale simulation of nano-grains:structure and diffusion properties[J]. Journal of Atomic and Molecular Physics, 2003, 20(2): 149.
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