TY - JOUR
T1 - Exact Model of Vacancy-Mediated Solute Transport in Magnesium
AU - Agarwal, Ravi
AU - Trinkle, Dallas R.
N1 - Publisher Copyright:
© 2017 American Physical Society.
PY - 2017/3/7
Y1 - 2017/3/7
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=85014905035&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85014905035&partnerID=8YFLogxK
U2 - 10.1103/PhysRevLett.118.105901
DO - 10.1103/PhysRevLett.118.105901
M3 - Article
C2 - 28339274
AN - SCOPUS:85014905035
SN - 0031-9007
VL - 118
JO - Physical review letters
JF - Physical review letters
IS - 10
M1 - 105901
ER -