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Atomic bonding and electronic stability of the binary sigma phase 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2019, 卷号: 811, 页码: 8
Authors:  Liu, Wei;  Lu, Xiao-Gang;  Hu, Qing-Miao;  Wang, Hao;  Liu, Yi;  Boulet, Pascal;  Record, Marie-Christine
Favorite  |  View/Download:52/0  |  Submit date:2021/02/02
sigma phase  atomic bonding  electronic stability  DOS  ELF  first-principles calculations  
Integrated modeling of molar volume of the sigma phase aided by first-principles calculations 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2019, 卷号: 791, 页码: 994-1004
Authors:  Liu, Wei;  Lu, Xiao-Gang;  Wang, Hao;  Liu, Yi;  Hu, Qing-Miao
Favorite  |  View/Download:50/0  |  Submit date:2021/02/02
sigma phase  molar volume  compound energy formalism (CEF)  first-principles calculations  integrated thermodynamic and molar volume model