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

Engineering & Materials Science

• Uranium dioxide 100%
• Point defects 96%
• Electronic structure 93%
• Oxygen 38%
• Partial pressure 37%
• Defects 32%
• Thermodynamics 27%
• Ground state 23%
• Density functional theory 23%
• Temperature 18%
• Uranium 18%
• Oxides 13%

Physics & Astronomy

• dioxides 68%
• uranium 63%
• point defects 59%
• electronic structure 47%
• energy of formation 32%
• partial pressure 30%
• oxygen 28%
• defects 26%
• uranium oxides 23%
• thermodynamics 21%
• interstitials 13%
• density functional theory 12%
• trends 11%
• ground state 10%
• gradients 10%
• temperature 9%
• approximation 8%

Chemical Compounds

• Crystal Point Defect 80%
• Electronic State 46%
• Partial Pressure 39%
• Dioxygen 30%
• Uranium Oxide 29%
• Interstitial 22%
• Antiferromagnetic 20%
• Energy 19%
• Electron Spin 17%
• Ground State 16%
• Density Functional Theory 13%
• Thermodynamics 12%