Stochastic Computer Model of the Kinetics of Multicomponent Intercrystalline Adsorption in Solid Solutions

V. P. Filippova; E. N. Blinova; N. A. Shurygina; T. V. Rassadina

doi:10.3103/S1062873818090083

Stochastic Computer Model of the Kinetics of Multicomponent Intercrystalline Adsorption in Solid Solutions

Authors: Filippova V.P.¹, Blinova E.N.¹, Shurygina N.A.¹, Rassadina T.V.²
Affiliations:
1. Bardin Central Research Institute of Ferrous Metallurgy
2. Russian Technological University MIREA
Issue: Vol 82, No 9 (2018)
Pages: 1172-1179
Section: Article
URL: https://journals.rcsi.science/1062-8738/article/view/186227
DOI: https://doi.org/10.3103/S1062873818090083
ID: 186227

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Abstract

The basic principles of constructing a stochastic computer model of intergranular adsorption kinetics controlled by interatomic pair interactions and the volume diffusion mobility of the components of a solid solution are developed, allowing for the bulk structure of crystals and the equilibrium atomic configuration of intergranular boundaries. The results are presented from computer simulations of the grain boundary segregation of S and P in α-Fe-based alloys.