Modeling of the Atomic Diffusion Coefficient in Nanostructured Materials

被引：6
作者：
Hu, Zhiqing [1 ]
Li, Zhuo [2 ]
Tang, Kai [2 ]
Wen, Zi [2 ,3 ]
Zhu, Yongfu [2 ,3 ]
机构：
[1] Jilin Univ, Roll Forging Res Inst, Changchun 130022, Jilin, Peoples R China
[2] Jilin Univ, Sch Mat Sci & Engn, Changchun 130022, Jilin, Peoples R China
[3] Jilin Univ, Key Lab Automobile Mat, Minist Educ, Changchun 130022, Jilin, Peoples R China
来源：
ENTROPY | 2018年 / 20卷 / 04期
基金：
中央高校基本科研业务费专项资金资助; 中国国家自然科学基金;
关键词：
nanostructured materials; diffusion coefficient; grain boundary energy; NANOCRYSTALLINE MATERIALS; ACTIVATION-ENERGY; SMALL PARTICLES; MELTING-POINT; NANOPARTICLES; TEMPERATURE; BISMUTH; COPPER; GOLD; IRON;
D O I：
10.3390/e20040252
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
A formula has been established, which is based on the size-dependence of a metal's melting point, to elucidate the atomic diffusion coefficient of nanostructured materials by considering the role of grain-boundary energy. When grain size is decreased, a decrease in the atomic diffusion activation energy and an increase in the corresponding diffusion coefficient can be observed. Interestingly, variations in the atomic diffusion activation energy of nanostructured materials are small relative to nanoparticles, depending on the size of the grain boundary energy. Our theoretical prediction is in accord with the computer simulation and experimental results of the metals described.
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页数：8
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