Local electronic descriptors for solute-defect interactions in bcc refractory metals

Local electronic descriptors for solute-defect interactions in bcc refractory metals

Understanding the interactions between solute atoms and crystalline defects is essential for determining alloy properties. Here the authors use a linear regression model to propose a quantitative correlation between local electronic structure descriptors and the solute-defect interaction energies in...

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Bibliographic Details
Main Authors: Yong-Jie Hu, Ge Zhao, Baiyu Zhang, Chaoming Yang, Mingfei Zhang, Zi-Kui Liu, Xiaofeng Qian, Liang Qi
Format: Article
Language:English
Published: Nature Publishing Group 2019-10-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-019-12452-7

Internet

https://doi.org/10.1038/s41467-019-12452-7

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