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cond-mat.mtrl-sci2019
ESPEI for efficient thermodynamic database development, modification, and uncertainty quantification: application to Cu-Mg
Brandon Bocklund, Richard Otis, Aleksei Egorov +3
The software package ESPEI has been developed for efficient evaluation of thermodynamic model parameters within the CALPHAD method. ESPEI uses a linear fitting strategy to paramete…
cond-mat.mtrl-sci2019
Quantified Uncertainty in Thermodynamic Modeling for Materials Design
Noah H Paulson, Brandon J Bocklund, Richard A Otis +2
Phase fractions, compositions and energies of the stable phases as a function of macroscopic composition, temperature, and pressure (X-T-P) are the principle correlations needed fo…