114 citations · 497 across the 7 of their papers we have counts for
7 papers
Interplay of defect cluster and the stability of xenon in uranium dioxide by density functional calculations
Hua Y. Geng, Ying Chen, Yasunori Kaneta +2
Self-defect clusters in bulk matrix might affect the thermodynamic behavior of fission gases in nuclear fuel such as uranium dioxide. With first-principles LSDA+U calculations and…
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…
Molecular dynamics study on planar clustering of xenon in UO2
H. Y. Geng, Y. Chen, Y. Kaneta +1
Interatomic potentials of uranium dioxide are investigated on their applicability to model structural stabilities beyond fluorite phase by comparing with ab-initio results. A high…
Structural behavior of uranium dioxide under pressure by LSDA+U calculations
H. Y. Geng, Y. Chen, Y. Kaneta +1
The structural behavior of UO2 under high pressure up to 300GPa has been studied by first-principles calculations with LSDA+U approximation. The results show that a pressure-induce…