Point defects reduce lattice thermal conductivity in UN at low temperatures with uranium interstitials causing broadest scattering, while electronic contributions dominate above 600 K and match experiment when included, becoming negligible in defective cases.
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cond-mat.mtrl-sci 2years
2026 2verdicts
UNVERDICTED 2representative citing papers
DFTB models for cerium allotropes were created that accurately predict band structures and energetic ordering by globally optimizing confining potentials to fit minimal DFT data and extract a many-body repulsive term.
citing papers explorer
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Thermal Transport in Defective Uranium Nitride: Effects of Point Defects, Anharmonicity, and Electronic Contributions
Point defects reduce lattice thermal conductivity in UN at low temperatures with uranium interstitials causing broadest scattering, while electronic contributions dominate above 600 K and match experiment when included, becoming negligible in defective cases.
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Determination of Density Functional Tight Binding Models for Cerium Allotropes
DFTB models for cerium allotropes were created that accurately predict band structures and energetic ordering by globally optimizing confining potentials to fit minimal DFT data and extract a many-body repulsive term.