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Thermodynamic evaluation of pure Co for the third generation of thermodynamic databases
Author(s) -
Li Zhou,
Bigdeli Sedigheh,
Mao Huahai,
Chen Qing,
Selleby Malin
Publication year - 2017
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.201600231
Subject(s) - calphad , thermodynamics , heat capacity , materials science , phase (matter) , database , chemistry , phase diagram , computer science , physics , organic chemistry
An updated thermodynamic description of pure Co was obtained by applying new models for the third generation of Calphad databases. In these models, different contributions to the heat capacity, especially the vibrational part, were treated separately, each with a clear physical meaning. More importantly, the phase stabilities of the various allotropes are now physically well defined. Thus, the derived thermodynamic properties vary more reasonably and smoothly from 0 K and up. Calculated thermodynamic properties were compared with experimental data and good agreement was obtained.