collaborators

1 paper

cond-mat.mtrl-sci2026

Fully anharmonic calculations of the free energy of migration of point defects in UO2 and PuO2

Dillon G. Frost, Johann Bouchet, Mihai-Cosmin Marinica +3

Calculating diffusion rates of point defects in materials typically relies on the harmonic approximation to estimate migration free energies. However, anharmonic effects can have a…