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Publication

Thermal transport in disordered materials

dynamics; NMD: Normal-mode dynamics; PDL: Propagon, diffuson, locon; PGM: Phonon gas model; PR: Participation ratio; SCLD: Supercell lattice dynamics; SED: Spectral energy density; TDTR: Time-domain thermoreflectance; VCA: Virtual crystal approximation;…

Publication

Enhancement of ion diffusion by targeted phonon excitation

introduce two formalisms that determine the individual contributions of phonons to the diffusion of ions through a solid, based on nudged elastic-band calculations and molecular dynamics simulations. The results for…