Data for: A self-consistent model to describe the temperature dependence of the bulk modulus, thermal expansion and molar volume compatible with 3rd generation CALPHAD databases

Published: 21 June 2021| Version 1 | DOI: 10.17632/xskt8cj82b.1
Contributors:
,

Description

The present data are associated with a research article in which a model to describe the bulk modulus, thermal expansion coefficient and molar volume at atmospheric pressure is proposed. The model is applied to 3 phases: α-Sn, β-Sn and CaO. For each of these phases, one can find in this folder: 1. A tabulation of all the bulk modulus, thermal expansion coefficient and molar volume data reviewed from the literature. Regarding the data processing, a detailed description is provided in the article associated with this dataset. 2. Thermodynamic database files, plus a demonstration file for α-Sn that can be used to set-up the present model in the Thermo-Calc software package (J.-O. Andersson, T. Helander, L. Höglund, P. Shi, B. Sundman, Thermo-Calc & DICTRA, computational tools for materials science, Calphad. 26 (2002) 273–312. https://doi.org/10.1016/S0364-5916(02)00037-8.) 3. A tabulation of the bulk modulus, thermal expansion coefficient and molar volume data as modeled using the proposed description 4. A comparison between the literature heat capacity data and the data calculated using the thermodynamic descriptions from which some parameters were accepted in this work. Only the relatively low temperature range that is relevant to assess the parameters of the multi-Einstein model was considered in this analysis.

Files

Steps to reproduce

The steps to reproduce the enclosed data are described in details in the associated research article