U and Xe transport in UO2±x: Density functional theory calculations

Mechanism for transient migration of xenon in UO2

(2011) X.-Y. Liu et al.   APPLIED PHYSICS LETTERS

Charge states of point defects in uranium oxide calculated with a local hybrid functional for correlated electrons

(2011) Jean-Paul Crocombette et al.   PHYSICAL REVIEW B

First-principles calculation and experimental study of oxygen diffusion in uranium dioxide

(2011) Boris Dorado et al.   PHYSICAL REVIEW B

Stability of oxygen point defects inUO2by first-principlesDFT+Ucalculations: Occupation matrix control and Jahn-Teller distortion

(2010) Boris Dorado et al.   PHYSICAL REVIEW B

Interplay of defect cluster and the stability of xenon in uranium dioxide from density functional calculations

(2010) Hua Y. Geng et al.   PHYSICAL REVIEW B

Method for locating low-energy solutions withinDFT+U

(2010) B. Meredig et al.   PHYSICAL REVIEW B

Molecular dynamics simulation of intragranular Xe bubble re-solution in UO2

(2009) D. Schwen et al.   JOURNAL OF NUCLEAR MATERIALS

Thermodynamics of fission products in UO2 ±x

(2009) P V Nerikar et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

First-principles study of defects and phase transition in UO2

(2009) Jianguo Yu et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Cooperativity among defect sites inAO2+xandA4O9(A=U,Np,Pu): Density functional calculations

(2009) D. A. Andersson et al.   PHYSICAL REVIEW B

DFT+Ucalculations of the ground state and metastable states of uranium dioxide

(2009) Boris Dorado et al.   PHYSICAL REVIEW B

Role of di-interstitial clusters in oxygen transport inUO2+xfrom first principles

(2009) D. A. Andersson et al.   PHYSICAL REVIEW B

Multipolar interactions inf-electron systems: The paradigm of actinide dioxides

(2009) Paolo Santini et al.   REVIEWS OF MODERN PHYSICS

Atomic diffusion mechanism of Xe in UO2

(2008) Younsuk Yun et al.   JOURNAL OF NUCLEAR MATERIALS

Energetics of intrinsic point defects in uranium dioxide from electronic-structure calculations

(2008) Pankaj Nerikar et al.   JOURNAL OF NUCLEAR MATERIALS

First-principles theory for helium and xenon diffusion in uranium dioxide

(2008) Younsuk Yun et al.   JOURNAL OF NUCLEAR MATERIALS

Structural, thermodynamic, and electronic properties of plutonium oxides from first principles

(2008) Gérald Jomard et al.   PHYSICAL REVIEW B

Point defects and clustering in uranium dioxide byLSDA+Ucalculations

(2008) Hua Y. Geng et al.   PHYSICAL REVIEW B

Study of Ba and Zr stability inUO2±xby density functional calculations

(2008) G. Brillant et al.   PHYSICAL REVIEW B

Stability mechanism of cuboctahedral clusters inUO2+x: First-principles calculations

(2008) Hua Y. Geng et al.   PHYSICAL REVIEW B

Assessment of correction methods for the band-gap problem and for finite-size effects in supercell defect calculations: Case studies for ZnO and GaAs

(2008) Stephan Lany et al.   PHYSICAL REVIEW B

Molecular dynamics study on planar clustering of xenon in UO2

(2007) H.Y. Geng et al.   JOURNAL OF ALLOYS AND COMPOUNDS