CALPHAD-Derived Solidification Properties and Crack Susceptibility Coefficients for Ni-, Co-, and Fe-Based Superalloys

This repository contains the dataset and computational workflow associated with the paper “CALPHAD-Based Analysis of Solidification Properties and Crack Susceptibility in Superalloys” submitted to MRS Communications. The dataset (Superalloys.xlsx) includes 555 Ni-, Co-, and Fe-based superalloy compositions standardized in weight percent, along with CALPHAD-derived thermodynamic descriptors computed using Thermo-Calc 2024a with the TCNI12 database. Descriptors include liquidus temperature, solidus temperature, freezing range, γ′-related phase-stability features, and solidification crack susceptibility coefficients based on the Clyne–Davies, Kou, and Easton criteria obtained from classical Scheil calculations. The repository also includes a highlighted version of the dataset in which the alloys classified as multi-principal-element superalloys (MPESAs) are marked for easier identification and comparison with conventional superalloys.