Interatomic potential for accurate phonons and defects in UO₂

Keyphrases

• Phonons 100%
• Interatomic Potential 100%
• Vibrational Properties 66%
• Phonon Dispersion 66%
• Phonon Density of States 66%
• Defect Energetics 66%
• High Temperature 33%
• Genetic Algorithm 33%
• Density Functional Calculations 33%
• Density Functional Theory 33%
• Molecular Dynamics Calculations 33%
• Potential Density 33%
• Hubbard U Correction 33%
• Energetic Properties 33%
• First-principles Molecular Dynamics 33%
• Uranium Dioxide 33%
• Nuclear Fuel 33%
• Defect-rich 33%

Material Science

• Uranium Dioxide 100%
• Density 100%
• Nuclear Fuel 25%

Chemistry

• Nuclear Fuel 25%