Accelerating the design of compositionally complex materials via physics-informed artificial intelligence

D Raabe, JR Mianroodi, J Neugebauer - Nature Computational …, 2023 - nature.com
The chemical space for designing materials is practically infinite. This makes disruptive
progress by traditional physics-based modeling alone challenging. Yet, training data for …

A mixed formulation for physics-informed neural networks as a potential solver for engineering problems in heterogeneous domains: Comparison with finite element …

S Rezaei, A Harandi, A Moeineddin, BX Xu… - Computer Methods in …, 2022 - Elsevier
Physics informed neural networks (PINNs) are capable of finding the solution for a given
boundary value problem. Here, the training of the network is equivalent to the minimization …

Modeling and simulation of microstructure in metallic systems based on multi-physics approaches

JR Mianroodi, P Shanthraj, C Liu, S Vakili… - npj Computational …, 2022 - nature.com
The complex interplay between chemistry, microstructure, and behavior of many
engineering materials has been investigated predominantly by experimental methods …

[HTML][HTML] Deep CNNs as universal predictors of elasticity tensors in homogenization

B Eidel - Computer Methods in Applied Mechanics and …, 2023 - Elsevier
In the present work, 3D convolutional neural networks (CNNs) are trained to link random
heterogeneous, multiphase materials to their elastic macroscale stiffness thus replacing …

An artificial neural network for surrogate modeling of stress fields in viscoplastic polycrystalline materials

MS Khorrami, JR Mianroodi, NH Siboni… - npj Computational …, 2023 - nature.com
The purpose of this work is the development of a trained artificial neural network for
surrogate modeling of the mechanical response of elasto-viscoplastic grain microstructures …

Mixed formulation of physics‐informed neural networks for thermo‐mechanically coupled systems and heterogeneous domains

A Harandi, A Moeineddin, M Kaliske… - International Journal …, 2024 - Wiley Online Library
Physics‐informed neural networks (PINNs) are a new tool for solving boundary value
problems by defining loss functions of neural networks based on governing equations …

Machine-learning-based surrogate modeling of microstructure evolution using phase-field

I Peivaste, NH Siboni, G Alahyarizadeh… - Computational Materials …, 2022 - Elsevier
Phase-field-based models have become common in material science, mechanics, physics,
biology, chemistry, and engineering for the simulation of microstructure evolution. Yet, they …

FE2 Computations with Deep Neural Networks: Algorithmic Structure, Data Generation, and Implementation

H Eivazi, JA Tröger, S Wittek, S Hartmann… - Mathematical and …, 2023 - mdpi.com
Multiscale FE 2 computations enable the consideration of the micro-mechanical material
structure in macroscopical simulations. However, these computations are very time …

Emerging Directions for Carbon Capture Technologies: A Synergy of High-Throughput Theoretical Calculations and Machine Learning

Q Lei, L Li, H Chen, X Wang - Environmental Science & …, 2023 - ACS Publications
As the world grapples with the challenges of energy transition and industrial
decarbonization, the development of carbon capture technologies presents a promising …

Data-driven multiscale simulation of solid-state batteries via machine learning

A Asheri, M Fathidoost, V Glavas, S Rezaei… - Computational Materials …, 2023 - Elsevier
The battery cell performance is determined by electro-chemo-mechanical mechanisms on
different length scales. Though there exist multi-field multiscale simulation frameworks, the …