Disorder viscosity correction approach to calculate spinodal temperature and wavelength

TL;DR

This paper introduces a disorder viscosity correction method to predict spinodal temperature and wavelength, enabling efficient modeling of microstructure formation in complex materials without extensive parameterization.

Contribution

The proposed approach provides a scalable, parameter-free way to predict spinodal behavior by stabilizing local energy minima and suppressing fluctuations, suitable for high-throughput applications.

Findings

Accurately predicts spinodal temperature and wavelength.

Captures essential physics of spinodal kinetics.

Compatible with machine learning frameworks.

Abstract

Spinodal decomposition, a key mechanism to microstructure formation in materials, has long posed challenges for predictive modeling, due to the need for parameter-free approaches that accurately capture local energy landscapes. In this work, we propose an approach to predict spinodal behavior by introducing a disorder viscosity correction to bulk free energies computed from finite, small, representative cells. We approximate the energy penalty required to transition into a disordered state to enable the stabilization of locally concave bulk free energy regions - essential for interface formation - while suppressing long-range concentration fluctuations. This approximation circumvents the complexity of full ab initio parameterization of interfacial properties and is well-suited for high-throughput and machine-learning frameworks. Our approach captures the necessary physics underpinning spinodal kinetics, offering a scalable route to predict spinodal regions in compositionally complex and high-entropy materials.