Structural dynamics of Schottky and Frenkel defects in ThO₂: A density-functional theory study

Keyphrases

• Density Functional Theory 100%
• Structural Dynamics 100%
• Frenkel Defects 100%
• ThO2 100%
• Schottky Defects 100%
• Thermal Conductivity 40%
• Thermophysical Properties 40%
• Fuel System 40%
• Physical Properties 20%
• Mixed Oxides 20%
• Anions 20%
• Transport Properties 20%
• Density Functional Calculations 20%
• Defect Type 20%
• Approximate Model 20%
• Thermal Properties 20%
• High Thermal Conductivity 20%
• Nuclear Fuel 20%
• Fuel Material 20%
• Reactor Conditions 20%
• Real Materials 20%
• Spectral Signature 20%
• Thermal Transport 20%
• Infrared Spectra 20%
• Transferrable 20%
• Thorium Oxide 20%
• Long Fuel Cycle 20%
• Fuel Resistance 20%
• Defective Material 20%
• Dispersion Spectrum 20%
• Structural Dynamic Property 20%
• Low Operating Temperature 20%
• Oxide nuclear Fuel 20%
• Phonon Dispersion 20%

Material Science

• Density 100%
• Thermal Conductivity 100%
• Structural Dynamics 100%
• Physical Property 33%
• Oxide Compound 33%
• Nuclear Fuel 33%
• Thermal Property 33%
• Thermophysical Property 33%
• Thorium 33%
• Nuclear Fuel System 33%

Chemistry

• Density Functional Theory Study 100%
• Crystal Point Defect 100%
• Thermal Conductivity 60%
• Nuclear Fuel 40%
• Density Functional Theory 20%
• Energetics 20%
• Phonon 20%
• Infrared Radiation 20%
• Transport Property 20%
• Thorium Dioxide 20%