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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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 |
_version_ |
1716748334469742592 |