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Open AccessArticle

Modeling of the Atomic Diffusion Coefficient in Nanostructured Materials

by Zhiqing Hu 1, Zhuo Li 2, Kai Tang 2, Zi Wen 2,3,* and Yongfu Zhu 2,3,*
1
Roll Forging Research Institute, Jilin University, Changchun 130022, China
2
School of Materials Science and Engineering, Jilin University, Changchun 130022, China
3
Key Laboratory of Automobile Materials, Ministry of Education, Jilin University, Changchun 130022, China
*
Authors to whom correspondence should be addressed.
Entropy 2018, 20(4), 252; https://doi.org/10.3390/e20040252
Received: 12 February 2018 / Revised: 23 March 2018 / Accepted: 3 April 2018 / Published: 5 April 2018
(This article belongs to the Special Issue Mesoscopic Thermodynamics and Dynamics)
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. View Full-Text
Keywords: nanostructured materials; diffusion coefficient; grain boundary energy nanostructured materials; diffusion coefficient; grain boundary energy
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Hu, Z.; Li, Z.; Tang, K.; Wen, Z.; Zhu, Y. Modeling of the Atomic Diffusion Coefficient in Nanostructured Materials. Entropy 2018, 20, 252.

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