Modeling of the Atomic Diffusion Coefficient in Nanostructured Materials

作者：Hu, Zhiqing; Li, Zhuo; Tang, Kai; Wen, Zi^*; Zhu, Yongfu^*

来源：Entropy, 2018, 20(4): 252.

DOI：10.3390/e20040252

• nanostructured materials
• diffusion coefficient
• grain boundary energy

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.

• 出版日期2018-4
• 单位吉林大学