453 citations · 1.4k across the 10 of their papers we have counts for
10 papers
Model-based quantitative methods to predict irradiation-induced swelling in alloys
Wei Ge, Shijun Zhao, Chenxu Wang +7
Predicting volume swelling of structural materials in nuclear reactors under high-dose neutron irradiations based on existing low-dose experiments or irradiation data with high-dos…
A High Accuracy Electrical Stopping Power Prediction Model based on Deep Learning Algorithm and its Applications
Xun Guo, Hao Wang, Shijun Zhao +2
Energy loss of energetic ions in solid is crucial in many field, and accurate prediction of the ion stopping power is a long-time goal. Though great efforts have been made, it is s…
Anomalous local distortion in BCC refractory high-entropy alloys
Yang Tong, Shijun Zhao, Hongbin Bei +3
Whereas exceptional mechanical and radiation performances have been found in the emergent medium- and high-entropy alloys (MEAs and HEAs), the importance of their complex atomic en…
Distribution of Formation and migration energies of point defects in concentrated solid-solution alloys: Ni_{0.5}Co_{0.5}, Ni_{0.5}Fe_{0.5}, Ni_{0.8}Fe_{0.2} and Ni_{0.8}Cr_{0.2}
Shijun Zhao, G. Malcolm Stocks, Yanwen Zhang
Using ab initio calculations and special quasirandom structures, we have characterized the distribution of defect formation energy and migration barrier in Ni-based solid-solution…
First-Principles Calculation of Principal Hugoniot and K-Shell X-ray Absorption Spectra for Warm Dense KCl
Shijun Zhao, Shen Zhang, Wei Kang +3
Principal Hugoniot and K-shell X-ray absorption spectra of warm dense KCl are calculated using the first-principles molecular dynamics method. Evolution of electronic structures as…
Link between K-absorption edges and thermodynamic properties of warm-dense plasmas established by improved first-principles method
Shen Zhang, Shijun Zhao, Wei Kang +2
A precise calculation that translates shifts of X-ray K-absorption edges to variations of thermodynamic properties allows quantitative characterization of interior thermodynamic pr…
The potential applications of phosphorene as anode materials in Li-ion batteries
Shijun Zhao, Wei Kang
The capacity and stability of constituent electrodes determine the performance of Li-ion batteries. In this study, density functional theory is employed to explore the potential ap…
Manipulation of electronic and magnetic properties of MC (M=Hf, Nb, Sc, Ta, Ti, V, Zr) monolayer by applying mechanical strains
Shijun Zhao, Wei Kang, Jianming Xue
Tuning the electronic and magnetic properties of a material through strain engineering is an effective strategy to enhance the performance of electronic and spintronic devices. Rec…
Fabrication of nanopores in a graphene sheet with heavy ions: a molecular dynamics study
Weisen Li, Li Liang, Shijun Zhao +2
Molecular dynamics (MD) simulations were performed to study the formation process of nanopores in a suspended graphene sheet irradiated by using energetic ions though a mask. By co…
Gas adsorption on MoS2 monolayer from first-principles calculations
Shijun Zhao, Jianming Xue, Wei Kang
First-principles calculations within density functional theory (DFT) have been carried out to investigate the adsorption of various gas molecules including CO, CO2, NH3, NO and NO2…