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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…

Computational Engineering, Finance, and Science · Computer Science 2023-02-28 Wei Li , Martin Z. Bazant , Juner Zhu

Phase-field modeling is an effective but computationally expensive method for capturing the mesoscale morphological and microstructure evolution in materials. Hence, fast and generalizable surrogate models are needed to alleviate the cost…

Materials Science · Physics 2022-07-01 Vivek Oommen , Khemraj Shukla , Somdatta Goswami , Remi Dingreville , George Em Karniadakis

Microstructural evolution, particularly grain growth, plays a critical role in shaping the physical, optical, and electronic properties of materials. Traditional phase-field modeling accurately simulates these phenomena but is…

Materials Science · Physics 2026-04-15 Iman Peivaste , Ahmed Makradi , Salim Belouettar

Phase-field (PF) simulation provides a powerful framework for predicting microstructural evolution but suffers from prohibitive computational costs that severely limit accessible spatiotemporal scales in practical applications. While…

The development of novel materials in recent years has been accelerated greatly by the use of computational modelling techniques aimed at elucidating the complex physics controlling microstructure formation in materials, the properties of…

Materials Science · Physics 2025-11-14 Damien Pinto , Michael Greenwood , Nikolas Provatas

Surrogate models driven by sizeable datasets and scientific machine-learning methods have emerged as an attractive microstructure simulation tool with the potential to deliver predictive microstructure evolution dynamics with huge savings…

Materials Science · Physics 2024-01-22 Shaoxun Fan , Andrew L. Hitt , Ming Tang , Babak Sadigh , Fei Zhou

Phase-field simulations provide mechanistic descriptions of microstructure evolution, but repeated high-fidelity integration over long horizons and broad parameter spaces remains computationally expensive. We present PFNet, a…

Materials Science · Physics 2026-05-11 Jie Xiong , Yue Wu , Xuewei Zhou , Peishuo Zhao , Jiaming Zhu

Phase-field modeling is an elegant and versatile computation tool to predict microstructure evolution in materials in the mesoscale regime. However, these simulations require rigorous numerical solutions of differential equations, which are…

Materials Science · Physics 2023-08-08 Owais Ahmad , Naveen Kumar , Rajdip Mukherjee , Somnath Bhowmick

Microstructure evolution, which plays a critical role in determining materials properties, is commonly simulated by the high-fidelity but computationally expensive phase-field method. To address this, we approximate microstructure evolution…

Materials Science · Physics 2024-11-22 Saurabh Tiwari , Prathamesh Satpute , Supriyo Ghosh

Phase-field methods offer a versatile computational framework for simulating large-scale morphological evolution. However, the applicability and predictability of phase-field models are inherently limited by their ad hoc nature, and there…

Materials Science · Physics 2025-10-30 Jaehyeok Jin , David R. Reichman

Machine learning methods have nowadays become easy-to-use tools for constructing high-dimensional interatomic potentials with ab initio accuracy. Although machine learned interatomic potentials are generally orders of magnitude faster than…

Computational Physics · Physics 2021-02-24 Yaolong Zhang , Ce Hu , Bin Jiang

The purpose of this work is the systematic comparison of the application of two artificial neural networks (ANNs) to the surrogate modeling of the stress field in materially heterogeneous periodic polycrystalline microstructures. The first…

Materials Science · Physics 2022-11-01 Sarthak Kapoor , Jaber Rezaei Mianroodi , Mohammad Khorrami , Nima S. Siboni , Bob Svendsen

We present an application of Physics-Informed Neural Networks to handle MultiPhase-Field simulations of microstructure evolution. It has been showcased that a combination of optimization techniques extended and adapted from the PINNs…

Materials Science · Physics 2024-09-04 Seifallah Elfetni , Reza Darvishi Kamachali

In this work, a data-driven framework based on Phase-Field simulations data is proposed to highlight the capabilities of neural networks to ensure accurate low dimensionality reduction of simulated microstructural images and to provide…

Machine-learning force fields (MLFFs) have emerged as a promising solution for speeding up ab initio molecular dynamics (MD) simulations, where accurate force predictions are critical but often computationally expensive. In this work, we…

The generative adversarial network (GAN) is one of the most widely used deep generative models for synthesizing high-quality images with the same statistics as the training set. Finite element method (FEM) based property prediction often…

Materials Science · Physics 2025-07-03 Owais Ahmad , Vishal Panwar , Kaushik Das , Rajdip Mukherjee , Somnath Bhowmick

Microstructural evolution is a key aspect of understanding and exploiting the structure-property-performance relation of materials. Modeling microstructure evolution usually relies on coarse-grained simulations with evolution principles…

Materials Science · Physics 2020-09-01 Kaiqi Yang , Yifan Cao , Youtian Zhang , Ming Tang , Daniel Aberg , Babak Sadigh , Fei Zhou

Recent years have witnessed a growing interest in using machine learning to predict and identify phase transitions in various systems. Here we adopt convolutional neural networks (CNNs) to study the phase transitions of Vicsek model,…

Biological Physics · Physics 2023-06-27 Tingting Xue , Xu Li , Xiaosong Chen , Li Chen , Zhangang Han

The purpose of this work is the development of an artificial neural network (ANN) for surrogate modeling of the mechanical response of viscoplastic grain microstructures. To this end, a U-Net-based convolutional neural network (CNN) is…

Computational experiments are exploited in finding a well-designed processing path to optimize material structures for desired properties. This requires understanding the interplay between the processing-(micro)structure-property linkages…

Computational Engineering, Finance, and Science · Computer Science 2023-05-04 Junrong Lin , Mahmudul Hasan , Pinar Acar , Jose Blanchet , Vahid Tarokh
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