Modeling of the Atomic Diffusion Coefficient in Nanostructured Materials

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 act...

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Main Authors: Zhiqing Hu, Zhuo Li, Kai Tang, Zi Wen, Yongfu Zhu
Format: Article
Language:English
Published: MDPI AG 2018-04-01
Series:Entropy
Subjects:
Online Access:http://www.mdpi.com/1099-4300/20/4/252
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spelling doaj-d2639ef983ce4d48bcdea41a121b0f7d2020-11-24T21:13:45ZengMDPI AGEntropy1099-43002018-04-0120425210.3390/e20040252e20040252Modeling of the Atomic Diffusion Coefficient in Nanostructured MaterialsZhiqing Hu0Zhuo Li1Kai Tang2Zi Wen3Yongfu Zhu4Roll Forging Research Institute, Jilin University, Changchun 130022, ChinaSchool of Materials Science and Engineering, Jilin University, Changchun 130022, ChinaSchool of Materials Science and Engineering, Jilin University, Changchun 130022, ChinaSchool of Materials Science and Engineering, Jilin University, Changchun 130022, ChinaSchool of Materials Science and Engineering, Jilin University, Changchun 130022, ChinaA 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.http://www.mdpi.com/1099-4300/20/4/252nanostructured materialsdiffusion coefficientgrain boundary energy
collection DOAJ
language English
format Article
sources DOAJ
author Zhiqing Hu
Zhuo Li
Kai Tang
Zi Wen
Yongfu Zhu
spellingShingle Zhiqing Hu
Zhuo Li
Kai Tang
Zi Wen
Yongfu Zhu
Modeling of the Atomic Diffusion Coefficient in Nanostructured Materials
Entropy
nanostructured materials
diffusion coefficient
grain boundary energy
author_facet Zhiqing Hu
Zhuo Li
Kai Tang
Zi Wen
Yongfu Zhu
author_sort Zhiqing Hu
title Modeling of the Atomic Diffusion Coefficient in Nanostructured Materials
title_short Modeling of the Atomic Diffusion Coefficient in Nanostructured Materials
title_full Modeling of the Atomic Diffusion Coefficient in Nanostructured Materials
title_fullStr Modeling of the Atomic Diffusion Coefficient in Nanostructured Materials
title_full_unstemmed Modeling of the Atomic Diffusion Coefficient in Nanostructured Materials
title_sort modeling of the atomic diffusion coefficient in nanostructured materials
publisher MDPI AG
series Entropy
issn 1099-4300
publishDate 2018-04-01
description 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.
topic nanostructured materials
diffusion coefficient
grain boundary energy
url http://www.mdpi.com/1099-4300/20/4/252
work_keys_str_mv AT zhiqinghu modelingoftheatomicdiffusioncoefficientinnanostructuredmaterials
AT zhuoli modelingoftheatomicdiffusioncoefficientinnanostructuredmaterials
AT kaitang modelingoftheatomicdiffusioncoefficientinnanostructuredmaterials
AT ziwen modelingoftheatomicdiffusioncoefficientinnanostructuredmaterials
AT yongfuzhu modelingoftheatomicdiffusioncoefficientinnanostructuredmaterials
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