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First-Principles Study on Free Energy and Elastic Properties of Disordered beta-Ti1-xNbx Alloy: Comparison Between SQS and CPA 期刊论文
ACTA METALLURGICA SINICA, 2020, 卷号: 56, 期号: 9, 页码: 1304-1312
作者:  Zhang Haijun;  Qiu Shi;  Sun Zhimei;  Hu Qingmiao;  Yang Rui
收藏  |  浏览/下载：187/0  |  提交时间：2021/02/02
titanium alloy  random solid solution  special quasirandom structure  coherent potential approximation  elastic constant  first-principles calculation  
Effects of solvation and applied potential on the adsorption behaviors of H, O, OH and H2O on Fe(110) surface 期刊论文
SURFACE SCIENCE, 2020, 卷号: 691, 页码: 8
作者:  Yin, Xiaoran;  Wang, Haitao;  Han, En-Hou
收藏  |  浏览/下载：150/0  |  提交时间：2021/02/02
Electrode/electrolyte interface  Adsorption  Constant-potential calculation  Joint density functional theory