669 citations · 3.8k across the 43 of their papers we have counts for
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cond-mat.mtrl-sci2017
Grain boundary phases in bcc metals
T. Frolov, W. Setyawan, R. J. Kurtz +4
We report a computational discovery of novel grain boundary structures and multiple grain boundary phases in elemental bcc tungsten. While grain boundary structures created by the…
cond-mat.mtrl-sci2017★ 175 cited
Predicting phase behavior of grain boundaries with evolutionary search and machine learning
Qiang Zhu, Amit Samanta, Bingxi Li +2
The study of grain boundary phase transitions is an emerging field until recently dominated by experiments. The major bottleneck in exploration of this phenomenon with atomistic mo…
cond-mat.supr-con2017★ 19 cited
Novel magnesium borides and their superconductivity
M. M. Davari Esfahani, Q. Zhu, H. Dong +4
With the motivation of searching for new superconductors in the Mg-B system, we performed ab initio evolutionary searches for all the stable compounds in this binary system in the…