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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Autores principales: Yong-Jie Hu, Ge Zhao, Baiyu Zhang, Chaoming Yang, Mingfei Zhang, Zi-Kui Liu, Xiaofeng Qian, Liang Qi
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2019
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Acceso en línea:https://doaj.org/article/cc59879a1efd461f80c76b7875985ad0
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