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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

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

Grain growth simulation is crucial for predicting metallic material microstructure evolution during annealing and resulting final mechanical properties, but traditional partial differential equation-based methods are computationally…

Materials Science · Physics 2025-05-09 Pungponhavoan Tep , Marc Bernacki

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

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 (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…

Stochastic microstructure reconstruction has become an indispensable part of computational materials science, but ongoing developments are specific to particular material systems. In this paper, we address this generality problem by…

Materials Science · Physics 2018-05-09 Xiaolin Li , Yichi Zhang , He Zhao , Craig Burkhart , L Catherine Brinson , Wei Chen

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 novel deep…

Materials Science · Physics 2025-10-30 Sachin Gaikwad , Thejas Kasilingam , Owais Ahmad , Rajdip Mukherjee , Somnath Bhowmick

Advances in robotics, artificial intelligence, and machine learning are ushering in a new age of automation, as machines match or outperform human performance. Machine intelligence can enable businesses to improve performance by reducing…

Machine Learning · Computer Science 2019-01-30 Oshin Olesegun , Ryan Noraas , Michael Giering , Nagendra Somanath

We propose a machine learning approach to address a key challenge in materials science: predicting how fractures propagate in brittle materials under stress, and how these materials ultimately fail. Our methods use deep learning and train…

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

Many important multi-component crystalline solids undergo mechanochemical spinodal decomposition: a phase transformation in which the compositional redistribution is coupled with structural changes of the crystal, resulting in dynamically…

Computational Engineering, Finance, and Science · Computer Science 2023-07-19 Xiaoxuan Zhang , Krishna Garikipati

Simulating microstructure evolution (MicroEvo) is vital for materials design but demands high numerical accuracy, efficiency, and physical fidelity. Although recent studies on deep learning (DL) offer a promising alternative to traditional…

Materials Science · Physics 2025-11-19 Qinyi Zhang , Duanyu Feng , Ronghui Han , Yangshuai Wang , Hao Wang

We use a Convolutional Recurrent Neural Network approach to learn morphological evolution driven by surface diffusion. To this aim we first produce a training set using phase field simulations. Intentionally, we insert in such a set only…

Computational Physics · Physics 2024-05-07 Daniele Lanzoni , Marco Albani , Roberto Bergamaschini , Francesco Montalenti

Macroscopic dynamical descriptions of complex physical systems are crucial for understanding and controlling material behavior. With the growing availability of data and compute, machine learning has become a promising alternative to…

Computational Physics · Physics 2026-03-24 Mengyi Chen , Pengru Huang , Kostya S. Novoselov , Qianxiao Li

Accurate long-horizon prediction of spatiotemporal fields on complex geometries is a fundamental challenge in scientific machine learning, with applications such as additive manufacturing where temperature histories govern defect formation…

Machine Learning · Computer Science 2026-02-23 Lionel Salesses , Larbi Arbaoui , Tariq Benamara , Arnaud Francois , Caroline Sainvitu

Spatio-Temporal predictive Learning is a self-supervised learning paradigm that enables models to identify spatial and temporal patterns by predicting future frames based on past frames. Traditional methods, which use recurrent neural…

Computer Vision and Pattern Recognition · Computer Science 2024-11-18 Andrea Alfarano , Alberto Alfarano , Linda Friso , Andrea Bacciu , Irene Amerini , Fabrizio Silvestri

Determining the different conformational states of a protein and the transition paths between them is key to fully understanding the relationship between biomolecular structure and function. This can be accomplished by sampling protein…

Biological Physics · Physics 2021-03-24 Venkata K. Ramaswamy , Chris G. Willcocks , Matteo T. Degiacomi

Structured prediction plays a central role in machine learning applications from computational biology to computer vision. These models require significantly more computation than unstructured models, and, in many applications, algorithms…

Machine Learning · Computer Science 2013-12-03 Alexander Grubb , Daniel Munoz , J. Andrew Bagnell , Martial Hebert

The identification and classification of transitions in topological and microstructural regimes in pattern-forming processes are critical for understanding and fabricating microstructurally precise novel materials in many application…

Materials Science · Physics 2022-08-12 Marcin Abram , Keith Burghardt , Greg Ver Steeg , Aram Galstyan , Remi Dingreville
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