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Particle-in-Cell (PIC) simulations are widely used for modeling plasma kinetics by tracking discrete particle dynamics. However, their computational cost remains prohibitively high, due to the need to simulate large numbers of particles to…

Computational Physics · Physics 2025-04-29 Jianhua Lv , Linlin Zhong

In this work, we introduce a novel neural operator, the Solute Transport Operator Network (STONet), to efficiently model contaminant transport in micro-cracked porous media. STONet's model architecture is specifically designed for this…

Machine Learning · Computer Science 2025-07-02 Ehsan Haghighat , Mohammad Hesan Adeli , S Mohammad Mousavi , Ruben Juanes

Deep Operator Networks (DeepONets) and their physics-informed variants have shown significant promise in learning mappings between function spaces of partial differential equations, enhancing the generalization of traditional neural…

Machine Learning · Computer Science 2025-01-08 Milad Ramezankhani , Anirudh Deodhar , Rishi Yash Parekh , Dagnachew Birru

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

Stress analysis is an important part of material design. For materials with complex microstructures, such as two-phase random materials (TRMs), material failure is often accompanied by stress concentration. Phase interfaces in two-phase…

Materials Science · Physics 2026-03-17 Tengfei Xing , Xiaodan Ren , Jie Li

Thrombosis involves processes spanning large-scale fluid flow to sub-cellular events such as platelet activation. Traditional CFD approaches often treat blood as a continuum, which can limit their ability to capture these microscale…

Fluid Dynamics · Physics 2025-03-18 Marco Laudato , Luca Manzari , Khemraj Shukla

Neural operators (NOs) employ deep neural networks to learn mappings between infinite-dimensional function spaces. Deep operator network (DeepONet), a popular NO architecture, has demonstrated success in the real-time prediction of complex…

Machine Learning · Computer Science 2025-06-03 Sharmila Karumuri , Lori Graham-Brady , Somdatta Goswami

The Deep Operator Network (DeepONet) structure has shown great potential in approximating complex solution operators with low generalization errors. Recently, a sequential DeepONet (S-DeepONet) was proposed to use sequential learning models…

Computational Engineering, Finance, and Science · Computer Science 2024-06-17 Junyan He , Shashank Kushwaha , Jaewan Park , Seid Koric , Diab Abueidda , Iwona Jasiuk

Multiscale simulations are indispensable for connecting microstructural features to the macroscopic behavior of polycrystalline materials, but their high computational demands limit their practicality. Deep material networks (DMNs) have…

Computational Engineering, Finance, and Science · Computer Science 2025-02-05 Ting-Ju Wei , Tung-Huan Su , Chuin-Shan Chen

Fiber reinforcement and polymer matrix respond differently to manufacturing conditions due to mismatch in coefficient of thermal expansion and matrix shrinkage during curing of thermosets. These heterogeneities generate residual stresses…

Computational Engineering, Finance, and Science · Computer Science 2026-05-04 Elham Kiyani , Amit Makarand Deshpande , Madhura Limaye , Zhiwei Gao , Zongren Zou , Sai Aditya Pradeep , Srikanth Pilla , Gang Li , Zhen Li , George Em Karniadakis

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

We develop a polycrystal graph neural network (PGNN) model for predicting the effective properties of polycrystalline materials, using the Li7La3Zr2O12 ceramic as an example. A large-scale dataset with >5000 different three-dimensional…

Materials Science · Physics 2023-06-09 Minyi Dai , Mehmet F. Demirel , Xuanhan Liu , Yingyu Liang , Jia-Mian Hu

The existing physical-informed Deep Operator Networks are mostly based on either the well-known mathematical formula of the system or huge amounts of data for different scenarios. However, in some cases, it is difficult to get the exact…

Signal Processing · Electrical Eng. & Systems 2026-02-24 Jieming Sun , Lichun Li

The macroscopic response of short fiber reinforced composites is dependent on an extensive range of microstructural parameters. Thus, micromechanical modeling of these materials is challenging and in some cases, computationally expensive.…

Machine Learning · Computer Science 2022-10-04 J. Friemann , B. Dashtbozorg , M. Fagerström , S. M. Mirkhalaf

Numerical modeling of polycrystal plasticity is computationally intensive. We employ Graph Neural Networks (GNN) to predict stresses on complex geometries for polycrystal plasticity from Finite Element Method (FEM) simulations. We present a…

Materials Science · Physics 2025-02-13 Hanfeng Zhai

Computational solid mechanics has become an indispensable approach in engineering, and numerical investigation of fracture in composites is essential as composites are widely used in structural applications. Crack evolution in composites is…

Materials Science · Physics 2023-09-26 Hao Xu , Wei Fan , Ambrose C. Taylor , Dongxiao Zhang , Lecheng Ruan , Rundong Shi

The behavior of materials is influenced by a wide range of phenomena occurring across various time and length scales. To better understand the impact of microstructure on macroscopic response, multiscale modeling strategies are essential.…

The combination of deep learning algorithm and materials science has made significant progress in predicting novel materials and understanding various behaviours of materials. Here, we introduced a new model called as the Crystal…

Materials Science · Physics 2024-05-21 Zijian Du , Luozhijie Jin , Le Shu , Yan Cen , Yuanfeng Xu , Yongfeng Mei , Hao Zhang

A variant of the U-Net convolutional neural network architecture is proposed to estimate linear elastic compatibility stresses in a-Zr (hcp) polycrystalline grain structures. Training data was generated using VGrain software with a…

Materials Science · Physics 2023-03-16 J. D. Langcaster , D. S. Balint , M. R. Wenman

Modeling the recovery of interdependent critical infrastructure is a key component of quantifying and optimizing societal resilience to disruptive events. However, simulating the recovery of large-scale interdependent systems under random…

Machine Learning · Computer Science 2022-06-23 Somayajulu L. N. Dhulipala , Ryan C. Hruska