Localized Nb clusters in U-Nb liquid alloys: An ab initio molecular dynamics study

By means of ab initio molecular dynamics (AIMD), we have evidenced the formation of the localized Nb clusters in the U-Nb liquid alloys even with the very low Nb concentrations. These localized Nb clusters are characterized, qualitatively and quantitatively, in terms of the pair correlation function...

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Bibliographic Details
Main Authors: Yongpeng Shi, Mingfeng Liu, Jiantao Wang, Hui Ma, Ronghan Li, Yun Chen, Wenlin Mo, Dianzhong Li, Bin Bai, Xiaolin Wang, Tao Fa, Xing-Qiu Chen
Format: Article
Language:English
Published: Elsevier 2021-03-01
Series:Nuclear Materials and Energy
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S2352179121000132