Open AccessAb initio based examination of the kinetics and thermodynamics of oxygen in Fe-Cr alloys
Author(s) -
Adib J. Samin,
David Andersson,
Edward F. Holby,
Blas P. Uberuaga
Publication year - 2019
Publication title -
physical review. b./physical review. b
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.78
H-Index - 465
eISSN - 2469-9969
pISSN - 2469-9950
DOI - 10.1103/physrevb.99.174202
Subject(s) - cluster expansion , thermodynamics , ab initio , oxygen , cluster (spacecraft) , kinetic monte carlo , materials science , monte carlo method , ab initio quantum chemistry methods , alloy , saddle point , physics , molecule , metallurgy , statistics , mathematics , quantum mechanics , computer science , programming language , geometry