47 citations · 62 across the 4 of their papers we have counts for
4 papers
Helium under high pressure: A comparative study of all-electron and pseudopotential methods within density functional theory
W. Xiao, Z. X. Tian, W. T. Geng
We have calculated the ground state electronic structure of He under pressure from 0 to 1500 GPa using both all-electron full-potential and pseudopotential methods based on the den…
Threshold concentration for H blistering in defect free W
W. Xiao, G. -N. Luo, W. T. Geng
Lattice distortion induced by high concentration of H is believed to be precursor of H blistering in single crystalline W (SCW) during H isotope irradiation. However, the critical…
Role of grain boundary and dislocation loop in H blistering in W: A Density functional theory assessment
W. Xiao, W. T. Geng
We report a first-principles density functional theory study on the role of grain boundary and dislocation loop in H blistering in W. At low temperature, the {\Sugma}3(111) tilt gr…
Distribution of doped Mn at the Σ3 (112) grain boundary in Ge
W. Wang, S. L. Zhang, Z. X. Tian +1
Using first-principles density functional theory method, we have investigated the distribution and magnetism of doped Mn atoms in the vicinity of the 3 (112) grain boundary in Ge.…