Deep learning-driven prediction of microstructure evolution via latent space interpolation

Phase-field models accurately simulate microstructure evolution, but their dependence on solving complex differential equations makes them computationally expensive. This work achieves a significant acceleration via a deep learning-based framework, utilizing a conditional variational autoencoder (CVAE) coupled with cubic spline interpolation and spherical linear interpolation (SLERP). We demonstrate the method for binary spinodal decomposition by predicting microstructure evolution for intermediate alloy compositions from a limited set of training compositions. First, using microstructures from phase-field simulations of binary spinodal decomposition, we train the CVAE, which learns compact latent representations that encode essential morphological features. Next, we use cubic spline interpolation in the latent space to predict microstructures for any unknown composition. Finally, SLERP ensures smooth morphological evolution with time that closely resembles coarsening. The predicted microstructures exhibit high visual and statistical similarity to phase-field simulations. This framework offers a scalable and efficient surrogate model for microstructure evolution, enabling accelerated materials design and composition optimization.

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Publication Details

Journal
Physical Review Materials
Published
2025-10-29
DOI
https://doi.org/10.1103/5ngk-4v9j
Primary Topic
Machine Learning in Materials Science
Type
article
Field-Weighted Citation Impact
0.00
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article

Deep learning-driven prediction of microstructure evolution via latent space interpolation

Somnath Bhowmick, Shekhar Gaikwad, R. Mukherjee, Owais Ahmad et al.
Physical Review Materials
Machine Learning in Materials Science
article

Deep learning-driven prediction of microstructure evolution via latent space interpolation

Somnath Bhowmick, Shekhar Gaikwad, R. Mukherjee, Owais Ahmad, Thejas Kasilingam
article en

Abstract

Phase-field models accurately simulate microstructure evolution, but their dependence on solving complex differential equations makes them computationally expensive. This work achieves a significant acceleration via a deep learning-based framework, utilizing a conditional variational autoencoder (CVAE) coupled with cubic spline interpolation and spherical linear interpolation (SLERP). We demonstrate the method for binary spinodal decomposition by predicting microstructure evolution for intermediate alloy compositions from a limited set of training compositions. First, using microstructures from phase-field simulations of binary spinodal decomposition, we train the CVAE, which learns compact latent representations that encode essential morphological features. Next, we use cubic spline interpolation in the latent space to predict microstructures for any unknown composition. Finally, SLERP ensures smooth morphological evolution with time that closely resembles coarsening. The predicted microstructures exhibit high visual and statistical similarity to phase-field simulations. This framework offers a scalable and efficient surrogate model for microstructure evolution, enabling accelerated materials design and composition optimization.

Physical Review MaterialsVol. 9(10)
Indian Institute of Technology BHU (IN), Banaras Hindu University (IN), Indian Institute of Technology Kanpur (IN)
Openalex Percentile: Top 75%
Machine Learning in Materials Science
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