Phase-Field DeepONet: Physics-informed deep operator neural network for fast simulations of pattern formation governed by gradient flows of free-energy functionals

TL;DR

This paper introduces Phase-Field DeepONet, a physics-informed neural network framework that efficiently predicts the evolution of pattern-forming systems governed by gradient flows, reducing computational costs for simulating complex phenomena.

Contribution

The paper presents a novel operator neural network incorporating the minimizing movement scheme to model free-energy driven systems without solving PDEs directly.

Findings

Accurately predicts dynamics of Allen-Cahn and Cahn-Hilliard equations.

Enables fast, real-time predictions of pattern formation.

Reduces computational costs compared to traditional simulations.

Abstract

Recent advances in scientific machine learning have shed light on the modeling of pattern-forming systems. However, simulations of real patterns still incur significant computational costs, which could be alleviated by leveraging large image datasets. Physics-informed machine learning and operator learning are two new emerging and promising concepts for this application. Here, we propose "Phase-Field DeepONet", a physics-informed operator neural network framework that predicts the dynamic responses of systems governed by gradient flows of free-energy functionals. Examples used to validate the feasibility and accuracy of the method include the Allen-Cahn and Cahn-Hilliard equations, as special cases of reactive phase-field models for nonequilibrium thermodynamics of chemical mixtures. This is achieved by incorporating the minimizing movement scheme into the framework, which optimizes and controls how the total free energy of a system evolves, instead of solving the governing equations directly. The trained operator neural networks can work as explicit time-steppers that take the current state as the input and output the next state. This could potentially facilitate fast real-time predictions of pattern-forming dynamical systems, such as phase-separating Li-ion batteries, emulsions, colloidal displays, or biological patterns.