Abstract

Most substitutional solutes in solids diffuse via vacancies. However, widely used analytic models for diffusivity make uncontrolled approximations in the relations between atomic jump rates that reduce accuracy. Symmetry analysis of the hexagonal close packed crystal identifies more distinct vacancy transitions than prior models, and a Green function approach computes diffusivity exactly for solutes in magnesium. We find large differences for the solute drag of Al, Zn, and rare earth solutes, and improved diffusion activation energies - highlighting the need for exact analytic transport models.

Original languageEnglish (US)
Article number105901
JournalPhysical review letters
Volume118
Issue number10
DOIs
StatePublished - Mar 7 2017

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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