123 citations · 244 across the 17 of their papers we have counts for
5 papers · 1 filter
Magnetic ordering phase transition and abnormal brittleness in dilute Fe-Mn solid solution
Wei Liu, Yunfeng Liang, Xiangyan Li +8
Experiments showed that solute Mn in bcc iron is in antiferromagnetic (AFM) coupling with iron neighbours below 2 at.% Mn, but is in ferromagnetic (FM) coupling at higher concentra…
Hydrogen bubble nucleation by self-clustering: Density Functional Theory and statistical models studies using tungsten as a model system
Jie Hou, Xiang-Shan Kong, Jingjing Sun +4
Low-energy hydrogen irradiation is known to induce bubble formation in tungsten, while its atomistic mechanisms remain little understood. Using first-principles calculations and st…
Role of Alloying-Atom Size Factor and System Shape Factor in Energetics of bcc Fe under Macroscopic Deformation
Wei Liu, Wei-Lu Wang, Q. F. Fang +3
We present an \emph{ab initio} study of the effect of macroscopic deformation on energetics of twelve alloying elements in bcc Fe under three specially designed strain modes. We fi…
First principle study of hydrogen behavior in hexagonal tungsten carbide
Xiang-Shan Kong, Yu-Wei You, C. S. Liu +3
Understanding the behavior of hydrogen in hexagonal tungsten carbide (WC) is of particular interest for fusion reactor design due to the presence of WC in the divertor of fusion re…
Contraction and expansion effects on the substitution-defect properties of thirteen alloying elements in bcc Fe
Wei Liu, Wei-Lu Wang, C. S. Liu +10
Proposed as blanket structural materials for fusion power reactors, reduced activation ferritic/martensitic (RAFM) steel undergoes volume expanding and contracting in a cyclic mode…