2 citations · 3 across the 3 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2019★ 1 cited
A first principles study of high pressure phase diagram of bismuth at 0 ~14 GPa based on structure search and quasi-harmonic approximation
Ya-Fan Zhao, Shou-Rui Li, Xing-Yu Gao +2
We have performed first principles study for bismuth crystal structure at pressure from 0~14 GPa based on structure search and quasi-harmonic approximation. A new stable phase with…
physics.comp-ph2018
A structural modeling approach to solid solutions based on the similar atomic environment
Fuyang Tian, De-Ye Lin, Xingyu Gao +2
Solid solution is an important way to enhance the structural and functional performances of materials. In this work, we develop a structural modeling approach to solid solutions ba…
cond-mat.mtrl-sci2017★ 2 cited
New zirconium hydrides predicted by structure search method based on first principles calculations
Xueyan Zhu, De-Ye Lin, Jun Fang +3
The formation of precipitated zirconium (Zr) hydrides is closely related to the hydrogen embrittlement problem for the cladding materials of pressured water reactors (PWR). In this…