Dataset on the enthalpy of mixing in binary liquids

Published: 25 September 2024| Version 2 | DOI: 10.17632/6wt6t9kswt.2
Contributors:
Guillaume Deffrennes,
, Taichi Abe,
, Evelyne Fischer,
,
,

Description

This dataset contains: (1) "Dataset" folder - Data on the enthalpy of mixing collected in 375 binary liquids from Calphad modeling in composition domains where the models are supported by experimental measurements. Metadata ("Metadata.csv") and explanation of the data quality ranking ("Readme_Metadata.txt") are given in the root folder. (2) "Predictions" folder - Machine learning predictions of this property given as Redlich-Kister polynomials in the 2415 binary systems generated by 70 elements. The predictions are also compared with those of the Miedema model in tables and figures where data are also plotted when available. For more information and to use this dataset, please refer to this publication: G. Deffrennes, B. Hallstedt, T. Abe, Q. Bizot, E. Fischer, J-M. Joubert, K. Terayama, and R. Tamura, Data-driven study of the enthalpy of mixing in the liquid phase, Calphad 87 (2024) 102745, https://doi.org/10.1016/j.calphad.2024.102745

Files

Categories

Machine Learning, Liquid Alloy, Mixing, Phase Diagram, Liquid, Enthalpy

Licence