From MLIPs to Microstructure: A High-Throughput Computational Framework to Design Spinodal Alloys in High-Dimensional Composition Spaces via Analytic Derivatives of CALPHAD Model Predictions

Courtney Kunselman, Doguhan Sariturk, Siya Zhu +2

Identifying regions of design space subject to spinodal decomposition is a critical component of alloy design in high-dimensional composition spaces. In cases where designers are s…