48 citations · 59 across the 3 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2013
On the origin and universality of dislocation creation and void nucleation in FCC ductile metals
Wei-Wei Pang, Ping Zhang, Guang-Cai Zhang +2
We clarify via molecular dynamic simulations and theoretical analysis the origin of dislocation creation and void nucleation during uniaxial tensile process in face-centered-cubic…
cond-mat.mtrl-sci2012★ 11 cited
The environmental dependence of redox energetics of PuO2 and α-Pu2O3: A quantitative solution from DFT+U calculations
Bo Sun, Haifeng Liu, Haifeng Song +4
We report a comprehensive density functional theory (DFT) + study of the energetics of charged and neutral oxygen defects in both PuO and -PuO, and present…
cond-mat.mtrl-sci2012★ 48 cited
First-principles study of surface properties of PuO2: Effects of thickness and O-vacancy on surface stability and chemical activity
Bo Sun, Haifeng Liu, Haifeng Song +4
The (111), (110), and (001) surfaces properties of PuO2 are studied by using density-functional theory+U method. The total-energy static calculations determine the relative order o…