Premium
Modeling and Numerical Simulation of Diffusion Induced Segregation
Author(s) -
Blesgen T.,
Luckhaus S.,
Bente K.
Publication year - 2002
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/1521-4079(200206)37:6<570::aid-crat570>3.0.co;2-u
Subject(s) - diffusion , regular polygon , statistical physics , resolution (logic) , chalcopyrite , crystal (programming language) , materials science , physics , thermodynamics , mathematics , computer science , geometry , copper , artificial intelligence , metallurgy , programming language
Two mathematical models for describing diffusion induced segregation (DIS) in the case of a (Zn,Fe)S single crystal are derived and discussed. The second is formulated within the Ginzburg‐Landau theory and implies special concentration dependent free energies. Numerical simulations in 2‐d capture significantly the properties of natural chalcopyrite DIS phenomena and allow for the first time quantitative descriptions. The calculations predict convex free electron distributions within the single crystal that are beyond the resolution of today's measuring instruments.