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Understanding and predicting microstructure evolution is fundamental to materials science, as it governs the resulting properties and performance of materials. Traditional simulation methods, such as phase-field models, offer high-fidelity…

Machine Learning · Computer Science 2026-02-24 Michael Trimboli , Mohammed Alsubaie , Sirani M. Perera , Ke-Gang Wang , Xianqi Li

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

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

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

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-based models have become common in material science, mechanics, physics, biology, chemistry, and engineering for the simulation of microstructure evolution. Yet, they suffer from the drawback of being computationally very costly…

The performance of machine learning surrogates is critically dependent on data quality and quantity. This presents a major challenge, as high-fidelity (HF) data is often scarce and computationally expensive to acquire, while low-fidelity…

Machine Learning · Computer Science 2026-02-03 Jice Zeng , David Barajas-Solano , Hui Chen

One of the main questions regarding complex systems at large scales concerns the effective interactions and driving forces that emerge from the detailed microscopic properties. Coarse-grained models aim to describe complex systems in terms…

Computational Physics · Physics 2022-12-21 Elham Kiyani , Steven Silber , Mahdi Kooshkbaghi , Mikko Karttunen

Phase-field (PF) modeling is a powerful tool for simulating microstructure evolution. To overcome the high computational cost of PF in solving complex PDEs, machine learning methods such as PINNs, convLSTM have been used to predict PF…

Computational Physics · Physics 2026-01-09 Ao Zhou , Salma Zahran , Chi Chen , Zhengyang Zhang , Yanming Wang

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

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

Recent advances in hardware and big data acquisition have accelerated the development of deep learning techniques. For an extended period of time, increasing the model complexity has led to performance improvements for various tasks.…

Machine Learning · Computer Science 2023-07-24 Damian Owerko , Charilaos I. Kanatsoulis , Jennifer Bondarchuk , Donald J. Bucci , Alejandro Ribeiro

Microstructural pattern formation, such as dendrite growth, occurs widely in materials and energy systems, significantly influencing material properties and functional performance. While the phase-field method has emerged as a powerful…

Materials Science · Physics 2025-11-07 Kaihua Ji , Luning Sun , Shusen Liu , Fei Zhou , Tae Wook Heo

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

Explosive growth in spatio-temporal data and its wide range of applications have attracted increasing interests of researchers in the statistical and machine learning fields. The spatio-temporal regression problem is of paramount importance…

Machine Learning · Computer Science 2020-09-15 Aniruddha Rajendra Rao , Qiyao Wang , Haiyan Wang , Hamed Khorasgani , Chetan Gupta

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

Deep Neural Networks (DNNs) have shown unparalleled achievements in numerous applications, reflecting their proficiency in managing vast data sets. Yet, their static structure limits their adaptability in ever-changing environments. This…

Computer Vision and Pattern Recognition · Computer Science 2023-10-03 Yunjie Zhu , Yunhao Chen

This paper presents a physics-informed framework that integrates graph convolutional networks (GCN) with long short-term memory (LSTM) architecture to forecast microstructure evolution over long time horizons in both 2D and 3D with…

Materials Science · Physics 2025-09-19 Hamidreza Razavi , Nele Moelans

Graph neural networks (GNN) have emerged as a promising machine learning method for microstructure simulations such as grain growth. However, accurate modeling of realistic grain boundary networks requires large simulation cells, which GNN…

Machine Learning · Computer Science 2026-03-24 Zhihui Tian , Ethan Suwandi , Tomas Oppelstrup , Vasily V. Bulatov , Joel B. Harley , Fei Zhou

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
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