114 citations · 324 across the 5 of their papers we have counts for
3 papers · 1 filter
Ab initio investigation on oxygen defect clusters in UO2+x
Hua Y. Geng, Ying Chen, Yasunori Kaneta +1
By first-principles LSDA+U calculations, we revealed that the current physical picture of defective uranium dioxide suggested solely by neutron diffraction analysis is unsatisfacto…
Stability mechanism of cuboctahedral clusters in UO2: First-principles calculations
Hua Y. Geng, Ying Chen, Yasunori Kaneta +1
The stability mechanism of cuboctahedral clusters in nonstoichiometric uranium dioxide is investigated by first-principles LSDA+U method. Calculations reveal that the structural st…
Point defects and clustering in uranium dioxide by LSDA+U calculations
Hua Y. Geng, Ying Chen, Yasunori Kaneta +3
A comprehensive investigation on point defects and their clustering behavior in nonstoichiometric uranium dioxide UO2+x is carried out using LSDA+U method based on density function…