Modeling of Gibbs energies of pure elements down to 0K using segmented regression
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Date
2016
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Abstract
A novel thermodynamic modeling strategy of stable solid alloy phases is
proposed based on segmented regression approach. The model considers several
physical effects (e.g. electronic, vibrational etc.) and is valid from 0K up to
the melting temperature. The preceding approach has been applied for several
pure elements. Results show good agreement with experimental data at low
and high temperatures. Since it is not a first attempt to propose a "universal"
physical-based model down to 0K for the pure elements as an alternative to
current SGTE description, we also compare the results to existing models.
Analysis of the obtained results shows that the newly proposed model delivers
more accurate description down to 0K for all studied pure elements according
to several statistical tests.