Enhancement of Ion Diffusion By Targeted Phonon Excitation

  title={Enhancement of Ion Diffusion By Targeted Phonon Excitation},
  author={Kiarash Gordiz and Sokseiha Muy and Wolfgang G. Zeier and Yang Shao‐Horn and Asegun Henry},
Ion diffusion is important in a variety of applications, yet fundamental understanding of the diffusive process in solids is still missing, especially considering the interaction of lattice vibrations (phonons) and the mobile species. In this work, we introduce two formalisms that determine the individual contributions of normal modes of vibration (phonons) to the diffusion of ions through a solid, based on (i) Nudged Elastic Band (NEB) calculations and (ii) molecular dynamics (MD) simulations… Expand
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