244 citations · 802 across the 25 of their papers we have counts for
25 papers
The different roles of Pu-oxide overlayers in the hydrogenation of Pu-metal: An ab initio molecular dynamics study based on vdW-DFT+U
Bo Sun, Haifeng Liu, Haifeng Song +4
Based on the van der Waals density functional theory (vdW-DFT)+U scheme, we carry out the ab initio molecular dynamics (AIMD) study of the interaction dynamics for H impingem…
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…
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…
Terahertz wave generation from hyper-Raman lines in two-level quantum systems driven by two-color lasers
Wei Zhang, Shi-Fang Guo, Su-Qing Duan +1
Based on spatial-temporal symmetry breaking mechanism, we propose a novel scheme for terahertz (THz) wave generation from hyper-Raman lines associated with the 0th harmonic (a part…
Ground state properties and high pressure behavior of plutonium dioxide: Systematic density functional calculations
Ping Zhang, Bao-Tian Wang, Xian-Geng Zhao
Plutonium dioxide is of high technological importance in nuclear fuel cycle and is particularly crucial in long-term storage of Pu-based radioactive waste. Using first-principles d…
Quantum blockade and loop current induced by a single lattice defect in graphene nanoribbons
Jie-Yun Yan, Ping Zhang, Bo Sun +4
We investigate theoretically the electronic transport properties in narrow graphene ribbons with an adatom-induced defect. It is found that the lowest conductance step of a metalli…