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First-principles study of defects and phase transition in UO
2
Jianguo Yu
, Ram Devanathan
, William J. Weber
Nuclear Science & Technology
Research output
:
Contribution to journal
›
Article
›
peer-review
112
Scopus citations
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2
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Keyphrases
UO2(II)
100%
Phase Transition
100%
First-principles Study
100%
Chemical Potential
100%
Defect Transitions
100%
Structural Properties
50%
Fission Products
50%
Experimental Values
50%
First-principles
50%
Extrinsic Defects
50%
Intrinsic Defects
50%
5f Electrons
50%
Defect Properties
50%
Schottky Defects
50%
Generalized Gradient Approximation
50%
Projector Augmented Wave Method
50%
Formation Energy
50%
Magnetic Ordering
50%
On-site Coulomb Repulsion
50%
Heat of Formation
50%
Intrinsic Charge
50%
Defect Phases
50%
Phase Transition Process
50%
All-electron
50%
Hubbard Parameter
50%
Empirical Self
50%
Neutral Defects
50%
Self-interaction Correction
50%
Property Transition
50%
LSDA+U
50%
Phase Transition Pressure
50%
Chemistry
Uranium Dioxide
100%
First Principle
100%
Chemical Potential
66%
formation
33%
Crystal Point Defect
33%
Fission Product
33%
Generalized Gradient Approximation
33%
Enthalpy of Formation
33%
Magnetic Ordering
33%
Local-Density Approximation
33%
Physics
Uranium Dioxide
100%
First Principle
100%
Generalized Gradient Approximation
33%
Transition Pressure
33%
Heat of Formation
33%
Fission Product
33%
Material Science
Uranium Dioxide
100%
Fission Product
33%
Structural Property
33%