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Prediction of binary interaction coefficients in grain boundary segregation
Author(s) -
Lejček Pavel,
Hofmann Siegfried
Publication year - 2018
Publication title -
surface and interface analysis
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.52
H-Index - 90
eISSN - 1096-9918
pISSN - 0142-2421
DOI - 10.1002/sia.6452
Subject(s) - binary number , thermodynamics , grain boundary , boundary (topology) , solubility , exponent , simple (philosophy) , volume (thermodynamics) , materials science , statistical physics , activity coefficient , chemistry , mathematics , physics , mathematical analysis , metallurgy , aqueous solution , microstructure , arithmetic , linguistics , philosophy , epistemology
A simple semiempirical method is proposed for prediction of the values of the binary interaction coefficients in grain boundary segregation (Fowler interaction). The method is based on the volume solid solubility, the maximum possible concentration of the solute at the grain boundary, and an additional parameter that represents an activity exponent of both the solute and the host metal. Values of the interaction coefficients for numerous solutes in α‐iron are predicted. The comparison with available literature data shows reasonable agreement.