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Machine learning has emerged as a significant approach to efficiently tackle electronic structure problems. Despite its potential, there is less guarantee for the model to generalize to unseen data that hinders its application in real-world…

Machine Learning · Computer Science 2024-02-16 Gengyuan Hu , Gengchen Wei , Zekun Lou , Philip H. S. Torr , Wanli Ouyang , Han-sen Zhong , Chen Lin

The failure of heterogeneous materials with microstructures is a complex process of damage nucleation, growth and localisation. This process spans multiple length scales and is challenging to simulate numerically due to its high…

Materials Science · Physics 2023-05-24 Philip P. Müller , Falk K. Wittel , David S. Kammer

Prediction of material property is a key problem because of its significance to material design and screening. We present a brand-new and general machine learning method for material property prediction. As a representative example, polymer…

Machine Learning · Computer Science 2022-03-01 Zhilong Liang , Zhiwei Li , Shuo Zhou , Yiwen Sun , Changshui Zhang , Jinying Yuan

A novel homogenization methodology is proposed for analyzing the failure of fiber-reinforced composite materials, utilizing elastic and eigen influence tensors within a damage informed transformation field analysis (D-TFA) framework. This…

Computational Engineering, Finance, and Science · Computer Science 2025-09-26 Harpreet Singh

This paper presents an immersed, isogeometric finite element framework to predict the response of multi-material, multi-physics problems with complex geometries using locally refined discretizations. To circumvent the need to generate…

Numerical Analysis · Mathematics 2022-12-05 Mathias Schmidt , Lise Noel , Keenan Doble , John A. Evans , Kurt Maute

In the present work, the evolution of damage in periodic composite materials is investigated through a novel finite element-based multiscale computational approach. The methodology is developed by means of the original combination of…

Numerical Analysis · Mathematics 2019-08-09 Francesca Fantoni , Andrea Bacigalupo , Marco Paggi , Josè Reinoso

In the paper, we present an integrated data-driven modeling framework based on process modeling, material homogenization, mechanistic machine learning, and concurrent multiscale simulation. We are interested in the injection-molded short…

Computational Engineering, Finance, and Science · Computer Science 2020-03-24 Zeliang Liu , Haoyan Wei , Tianyu Huang , C. T. Wu

A supervised machine learning (ML) based computational methodology for the design of particulate multifunctional composite materials with desired thermal conductivity (TC) is presented. The design variables are physical descriptors of the…

Computational Physics · Physics 2025-07-25 Mohammad Saber Hashemi , Masoud Safdari , Azadeh Sheidaei

Recently, there has been a growing interest in applying machine learning methods to problems in engineering mechanics. In particular, there has been significant interest in applying deep learning techniques to predicting the mechanical…

Machine Learning · Computer Science 2023-03-15 Saeed Mohammadzadeh , Peerasait Prachaseree , Emma Lejeune

This work develops a dynamic homogenization approach for metamaterials. It finds an approximate macroscopic homogenized equation with constant coefficients posed in space and time; however, the resulting homogenized equation is higher order…

Analysis of PDEs · Mathematics 2022-06-23 Kshiteej Deshmukh , Timothy Breitzman , Kaushik Dayal

In the analysis of composite materials with heterogeneous microstructures, full resolution of the heterogeneities using classical numerical approaches can be computationally prohibitive. This paper presents a micromechanics-enhanced finite…

Materials Science · Physics 2011-11-08 J. Novák , Ł. Kaczmarczyk , P. Grassl , J. Zeman , C. J. Pearce

Advancement in manufacturing methods enable designing so called metamaterials with a tailor-made microstructure. Microstructure affects materials response within a length-scale, where we model this behavior by using the generalized…

Computational Engineering, Finance, and Science · Computer Science 2022-12-02 Bozo Vazic , Bilen Emek Abali , Pania Newell

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

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

Machine learning promises to deliver powerful new approaches to neutron scattering from magnetic materials. Large scale simulations provide the means to realise this with approaches including spin-wave, Landau Lifshitz, and Monte Carlo…

Computational Physics · Physics 2020-11-12 Anjana M. Samarakoon , D. Alan Tennant

We introduce a new class of unfitted finite element methods with high order accurate numerical integration over curved surfaces and volumes which are only implicitly defined by level set functions. An unfitted finite element method which is…

Numerical Analysis · Mathematics 2015-12-10 Christoph Lehrenfeld

Virtual garment simulation has become increasingly important with applications in garment design and virtual try-on. However, reproducing garments faithfully remains a cumbersome process. We propose an end-to-end method for estimating…

Graphics · Computer Science 2024-01-30 Joy Xiaoji Zhang , Gene Wei-Chin Lin , Lukas Bode , Hsiao-yu Chen , Tuur Stuyck , Egor Larionov

In this paper, we present a machine learning based architecture for microwave characterization of inkjet printed components on flexible substrates. Our proposed architecture uses several machine learning algorithms and automatically selects…

Machine Learning · Computer Science 2024-04-09 Abhishek Sahu , Peter H. Aaen , Praveen Damacharla

In this paper, gradient-based optimization methods are combined with finite-element modeling for improving electric devices. Geometric design parameters are considered by affine decomposition of the geometry or by the design element…

Numerical homogenization for mechanical multiscale modeling by means of the finite element method (FEM) is an elegant way of obtaining structure-property relations, if the behavior of the constituents of the lower scale is well understood.…

Numerical Analysis · Mathematics 2025-08-07 Nils Lange , Geralf Hütter , Bjoern Kiefer