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Motivated by the ever-improving performance of deep learning techniques, we design a mixed input convolutional neural network approach to predict transport properties in deformed nanoscale materials using a height map of deformations (from…

Mesoscale and Nanoscale Physics · Physics 2022-09-09 Jack G. Nedell , Jonah Spector , Adel Abbout , Michael Vogl , Gregory A. Fiete

The full elasticity tensor for nano-crystalline copper is derived in molecular simulations by performing numerical tests for a set of generated samples of the polycrystalline material. The results are analysed with respect to the anisotropy…

Computational Physics · Physics 2018-04-25 Katarzyna Kowalczyk-Gajewska , Marcin Maździarz

We propose a deep probabilistic-neural-network architecture for learning a minimal and near-orthogonal set of non-linear modes from high-fidelity turbulent-flow-field data useful for flow analysis, reduced-order modeling, and flow control.…

Fluid Dynamics · Physics 2021-09-06 Hamidreza Eivazi , Soledad Le Clainche , Sergio Hoyas , Ricardo Vinuesa

This study introduces PV-RNN, a novel variational RNN inspired by the predictive-coding ideas. The model learns to extract the probabilistic structures hidden in fluctuating temporal patterns by dynamically changing the stochasticity of its…

Machine Learning · Computer Science 2019-06-26 Ahmadreza Ahmadi , Jun Tani

We present a high-fidelity three dimensional computational framework for simulating the bulk mechanical behavior of granular aggregates composed of deformable brittle grains. Departing from classical discrete element methods (DEM), our…

Soft Condensed Matter · Physics 2025-07-16 Debdeep Bhattacharya , Davood Damircheli , Robert P. Lipton

Necking instabilities, in which tensile (extensional) deformation localizes into a small spatial region, are generic failure modes in elasto-viscoplastic materials. Materials in this very broad class --- including amorphous, crystalline,…

Materials Science · Physics 2018-07-11 Avraham Moriel , Eran Bouchbinder

Physics-aware deep learning (PADL) enables rapid prediction of complex physical systems, yet current convolutional neural network (CNN) architectures struggle with highly nonlinear flows. While scaling model size addresses complexity in…

Machine Learning · Computer Science 2026-01-21 Jack T. Beerman , Shobhan Roy , H. S. Udaykumar , Stephen S. Baek

High-fidelity fracture mechanics simulations of multiple microcracks interaction via physics-based models quickly become computationally expensive as the number of microcracks increases. This work develops a Graph Neural Network (GNN) based…

Materials Science · Physics 2022-05-12 Roberto Perera , Davide Guzzetti , Vinamra Agrawal

Nowadays, using vibration data in conjunction with pattern recognition methods is one of the most common fault detection strategies for structures. However, their performances depend on the features extracted from vibration data, the…

Signal Processing · Electrical Eng. & Systems 2022-02-25 Vahid Yaghoubi , Liangliang Cheng , Wim Van Paepegem , Mathias Kersemans

This paper focuses on molecular dynamics (MD) modeling of graphene reinforced cross-linked epoxy (Gr-Ep) nanocomposite. The goal is to study the influence of geometry, and concentration of reinforcing nanographene sheet (NGS) on interfacial…

Materials Science · Physics 2012-07-12 R. Rahman , A. Haque

Physical experiments can characterize the elastic response of granular materials in terms of macroscopic state-variables, namely volume (packing) fraction and stress, while the microstructure is not accessible and thus neglected. Here, by…

Soft Condensed Matter · Physics 2015-06-16 Nishant Kumar , Stefan Luding , Vanessa Magnanimo

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

While deep learning has shown tremendous success in a wide range of domains, it remains a grand challenge to incorporate physical principles in a systematic manner to the design, training, and inference of such models. In this paper, we aim…

Computational Physics · Physics 2020-06-16 Rui Wang , Karthik Kashinath , Mustafa Mustafa , Adrian Albert , Rose Yu

Constitutive and closure models play important roles in computational mechanics and computational physics in general. Classical constitutive models for solid and fluid materials are typically local, algebraic equations or flow rules…

Fluid Dynamics · Physics 2021-06-16 Xu-Hui Zhou , Jiequn Han , Heng Xiao

Accurate prediction of dielectric tensors is essential for accelerating the discovery of next-generation inorganic dielectric materials. Existing machine learning approaches, such as equivariant graph neural networks, typically rely on…

Materials Science · Physics 2026-01-13 Haowei Hua , Chen Liang , Ding Pan , Irwin King , Shengchao Liu , Koji Tsuda , Wanyu Lin

Biological soft tissues exhibit substantial inter-subject variability, making the automation of constitutive material modeling essential for patient-specific analysis and design. Such materials are not only highly nonlinear but also display…

Computational Physics · Physics 2026-04-16 Bahador Bahmani

This work proposes a Graph Neural Network (GNN) modeling approach to predict the resulting surface from a particle based fabrication process. The latter consists of spray-based printing of cementitious plaster on a wall and is facilitated…

Computational Engineering, Finance, and Science · Computer Science 2025-04-01 Diego Machain Rivera , Selen Ercan Jenny , Ping Hsun Tsai , Ena Lloret-Fritschi , Luis Salamanca , Fernando Perez-Cruz , Konstantinos E. Tatsis

DeepWarp is an efficient and highly re-usable deep neural network (DNN) based nonlinear deformable simulation framework. Unlike other deep learning applications such as image recognition, where different inputs have a uniform and consistent…

Graphics · Computer Science 2021-02-18 Ran Luo , Tianjia Shao , Huamin Wang , Weiwei Xu , Kun Zhou , Yin Yang

The elastic properties of materials derive from their electronic and atomic nature. However, simulating bulk materials fully at these scales is not feasible, so that typically homogenized continuum descriptions are used instead. A seamless…

Materials Science · Physics 2021-08-09 Jaber Rezaei Mianroodi , Shahed Rezaei , Nima H. Siboni , Bai-Xiang Xu , Dierk Raabe

In the present work, 3D convolutional neural networks (CNNs) are trained to link random heterogeneous, two-phase materials of arbitrary phase fractions to their elastic macroscale stiffness thus replacing explicit homogenization…

Materials Science · Physics 2021-09-08 Bernhard Eidel