ESPEI for efficient thermodynamic database development, modification, and uncertainty quantification...
ESPEI for efficient thermodynamic database development, modification, and uncertainty quantification: application to Cu-Mg
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Ithaca: Cornell University Library, arXiv.org
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Language
English
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Ithaca: Cornell University Library, arXiv.org
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Scope and Contents
Contents
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 parameterize Gibbs energy functions of single phases based on their thermochemical data and refine the model parameters using phase equilibrium data through Bayesian optimization...
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Full title
ESPEI for efficient thermodynamic database development, modification, and uncertainty quantification: application to Cu-Mg
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TN_cdi_proquest_journals_2176096182
Permalink
https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_proquest_journals_2176096182
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E-ISSN
2331-8422
DOI
10.48550/arxiv.1902.01269