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Ab initio calculations of interaction between Ni and Si in α-Fe
Journal of Nuclear Science and Technology ( IF 1.5 ) Pub Date : 2020-09-07 , DOI: 10.1080/00223131.2020.1815606
Liuming Wan 1, 2 , Liang Chen 3 , Zhengcao Li 1
Affiliation  

Ab initio calculations based on the density functional theory were performed to investigate the interaction between Ni and Si in the body-centred cubic Fe system. The Ni-Si interaction was first ev...

中文翻译:

α-Fe 中 Ni 和 Si 相互作用的从头算计算

进行了基于密度泛函理论的从头算计算,以研究体心立方 Fe 系统中 Ni 和 Si 之间的相互作用。Ni-Si 相互作用是第一次...
更新日期:2020-09-07
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