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Bragg‐Williams Model of Thermal Defect Formation in Ordering Binary Alloys with D0 3 Structure: Applications to Fe 3 Al
Author(s) -
Spišák D.,
Mehrer H.
Publication year - 1995
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221900205
Subject(s) - vacancy defect , configuration entropy , binary number , materials science , atom (system on chip) , thermal , condensed matter physics , diffusion , thermodynamics , physics , mathematics , arithmetic , computer science , embedded system
Thermal defect formation in ordering binary alloys with DO 3 structure is studied in the framework of a Bragg‐Williams model including nearest and next‐nearest neighbour bonds and applied to the case of Fe 3 AI. Values for vacancy concentrations on the various sublattices are deduced including the configurational entropy of the system but neglecting defect formation entropies. Vacancy concentrations are found to be fairly high especially on the Fe sublattices. Antisite atom concentrations are calculated and found to be several orders of magnitude higher than vacancy concentrations. Information about short‐range ordering is also achieved. Some consequences for diffusion in DO 3 ordering alloys are discussed.