46 citations · 91 across the 4 of their papers we have counts for
4 papers
Theoretical assessment on the possibility of constraining point defect energetics by pseudo-phase transition pressures
Hua Y. Geng, Hong X. Song, Q. Wu
Making use of the energetics and equations of state of defective uranium dioxide that calculated with first-principles method, we demonstrate a possibility of constraining the form…
Anomalies in non-stoichiometric uranium dioxide induced by pseudo-phase transition of point defects
Hua Y. Geng, Hong X. Song, Q. Wu
A uniform distribution of point defects in an otherwise perfect crystallographic structure usually describes a unique pseudo phase of that state of a non-stoichiometric material. W…
First-principles study on oxidation effects in uranium oxides and high-pressure high-temperature behavior of point defects in uranium dioxide
Hua Y. Geng, Hong X. Song, K. Jin +2
Formation Gibbs free energy of point defects and oxygen clusters in uranium dioxide at high-pressure high-temperature conditions are calculated from first principles, using the LSD…
High-pressure behavior of dense hydrogen up to 3.5 TPa from density functional theory calculations
Hua Y. Geng, Hong X. Song, J. F. Li +1
Structural behavior and equation of state of atomic and molecular crystal phases of dense hydrogen at pressures up to 3.5 TPa are systematically investigated with density functiona…