Stress-induced anisotropic diffusion in alloys: Complex Si solute flow near a dislocation core in Ni
Stress-induced anisotropic diffusion in alloys: Complex Si solute flow near a dislocation core in Ni
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DOI：
10.1103/physrevb.88.134108
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发表时间：
2013-10
影响因子：
3.7
通讯作者：
T. Garnier;V. Manga;D. Trinkle;M. Nastar;P. Bellon
中科院分区：
文献类型：
--
作者：
T. Garnier;V. Manga;D. Trinkle;M. Nastar;P. Bellon
应力在材料中的输运系数中引入各向异性，从而影响扩散。采用第一性原理量子力学方法计算原子跃迁激活势垒，结合扩展的自洽平均场理论计算应变约化对称性下的输运系数，我们预测了Si杂质在Ni中扩散的显著应力诱导各向异性.这会导致复杂的空间和温度相关的通量;例如，位错的异质应变场会产生影响机械和偏析行为的不寻常的流动模式。
Stress introduces anisotropy in the transport coefficients in materials, affecting diffusion. Using first-principles quantum-mechanical methods for activation barriers of atomic jumps, combined with the extended self-consistent mean-field theory to compute transport coefficients with strain-reduced symmetry, we predict significant stress-induced anisotropy for Si impurity diffusion in nickel. This causes complex spatial- and temperature-dependent fluxes; as an example, the heterogenous strain field of a dislocation creates unusual flow patterns that affect mechanical and segregation behavior.