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To leverage advancements in machine learning for metallic materials design and property prediction, it is crucial to develop a data-reduced representation of metal microstructures that surpasses the limitations of current physics-based…

The fracture simulation of random particle reinforced composite structures remains a challenge. Current techniques either assumed a homogeneous model, ignoring the microstructure characteristics of composite structures, or considered a…

Numerical Analysis · Mathematics 2022-12-23 Zihao Yang , Shaoqi Zheng , Shangkun Shen , Fei Han

The problem of generating microstructures of complex materials in silico has been approached from various directions including simulation, Markov, deep learning and descriptor-based approaches. This work presents a hybrid method that is…

The automated construction of coarse-grained models represents a pivotal component in computer simulation of physical systems and is a key enabler in various analysis and design tasks related to uncertainty quantification. Pertinent methods…

Machine Learning · Statistics 2019-09-11 Constantin Grigo , Phaedon-Stelios Koutsourelakis

Microstructure reconstruction is an important cornerstone to the inverse materials design concept. In this work, a general algorithm is developed to reconstruct a three-dimensional microstructure from given descriptors. Based on…

Materials Science · Physics 2021-10-26 Paul Seibert , Alexander Raßloff , Marreddy Ambati , Markus Kästner

We apply recent advances in machine learning and computer vision to a central problem in materials informatics: The statistical representation of microstructural images. We use activations in a pre-trained convolutional neural network to…

Computational Physics · Physics 2018-12-04 Nicholas Lubbers , Turab Lookman , Kipton Barros

Direct prediction of material properties from microstructures through statistical models has shown to be a potential approach to accelerating computational material design with large design spaces. However, statistical modeling of highly…

Computational Physics · Physics 2017-12-12 Ruijin Cang , Hechao Li , Hope Yao , Yang Jiao , Yi Ren

Heterogeneous materials are crucial to producing lightweight components, functional components, and structures composed of them. A crucial step in the design process is the rapid evaluation of their effective mechanical, thermal, or, in…

Machine Learning · Computer Science 2025-04-02 Sanath Keshav , Julius Herb , Felix Fritzen

The 3D microstructure of porous media, such as electrodes in lithium-ion batteries or fiber-based materials, significantly impacts the resulting macroscopic properties, including effective diffusivity or permeability. Consequently,…

Microstructures, i.e., architected materials, are designed today, typically, by maximizing an objective, such as bulk modulus, subject to a volume constraint. However, in many applications, it is often more appropriate to impose constraints…

Materials Science · Physics 2022-07-15 Saketh Sridhara , Aaditya Chandrasekhar , Krishnan Suresh

In this work, we propose a novel generalized Wasserstein-2 distance approach for efficiently training stochastic neural networks to reconstruct random field models, where the target random variable comprises both continuous and categorical…

Machine Learning · Computer Science 2025-07-08 Mingtao Xia , Qijing Shen

Determining a process-structure-property relationship is the holy grail of materials science, where both computational prediction in the forward direction and materials design in the inverse direction are essential. Problems in materials…

Computational Engineering, Finance, and Science · Computer Science 2020-04-28 Anh Tran , John A. Mitchell , Laura P. Swiler , Tim Wildey

Microstructure reconstruction, a major component of inverse computational materials engineering, is currently advancing at an unprecedented rate. While various training-based and training-free approaches are developed, the majority of…

Materials Science · Physics 2022-11-28 Christian Düreth , Paul Seibert , Dennis Rücker , Stephanie Handford , Markus Kästner , Maik Gude

This paper presents a stochastic Wang tiling based technique to compress or reconstruct disordered microstructures on the basis of given spatial statistics. Unlike the existing approaches based on a single unit cell, it utilizes a finite…

Materials Science · Physics 2012-10-24 Jan Novák , Anna Kučerová , Jan Zeman

The microstructure analyses of porous media have considerable research value for the study of macroscopic properties. As the premise of conducting these analyses, the accurate reconstruction of microstructure digital model is also an…

Image and Video Processing · Electrical Eng. & Systems 2023-04-26 Zhenchuan Ma , Xiaohai He , Pengcheng Yan , Fan Zhang , Qizhi Teng

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

Integrated Computational Materials Engineering (ICME) aims to accelerate optimal design of complex material systems by integrating material science and design automation. For tractable ICME, it is required that (1) a structural feature…

Materials Science · Physics 2017-05-01 Ruijin Cang , Yaopengxiao Xu , Shaohua Chen , Yongming Liu , Yang Jiao , Max Yi Ren

We report a multiscale approach of broad applicability to stochastic reconstruction of multiphase materials, including porous ones. The approach devised uses an optimization method, such as the simulated annealing (SA) and the so-called…

Materials Science · Physics 2018-11-13 R. Piasecki , W. Olchawa , D. Frączek , R. Wiśniowski

Multiscale techniques have been widely shown to potentially overcome the limitation of homogenization schemes in representing the microscopic failure mechanisms in heterogeneous media as well as their influence on their structural response…

Numerical Analysis · Mathematics 2021-08-10 Fabrizio Greco , Lorenzo Leonetti , Paolo Lonetti , Raimondo Luciano , Andrea Pranno

Finding quantitative descriptors representing the microstructural features of a given material is an ongoing research area in the paradigm of Materials-by-Design. Historically, microstructural analysis mostly relies on qualitative…

Materials Science · Physics 2022-08-09 Khaled Alrfou , Amir Kordijazi , Tian Zhao