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Microstructure reconstruction has been an essential part of computational material engineering to reveal the relationship between microstructures and material properties. However, finding a general solution for microstructure…

Materials Science · Physics 2023-01-24 Kang-Hyun Lee , Gun Jin Yun

The influence of the microstructure of a polycrystalline material on its macroscopic deformation response is still one of the major problems in materials engineering. For materials characterized by elastic-plastic deformation responses,…

Materials Science · Physics 2022-02-07 Jan N. Fuhg , Lloyd van Wees , Mark Obstalecki , Paul Shade , Nikolaos Bouklas , Matthew Kasemer

Many physical systems can be modeled as large sets of domains "glued" together along boundaries - biological cells meet along cell membranes, soap bubbles meet along thin films, countries meet along geopolitical boundaries, and metallic…

Materials Science · Physics 2015-12-30 Jeremy K. Mason , Emanuel A. Lazar , Robert D. MacPherson , David J. Srolovitz

Synthesizing fully developed three-dimensional turbulent velocity fields remains a long-standing problem in fluid mechanics and an open challenge for generative modeling. The difficulty arises from the coexistence of extreme dimensionality,…

Fluid Dynamics · Physics 2026-03-16 Tianyi Li , Michele Buzzicotti , Fabio Bonaccorso , Luca Biferale

Determining whether a candidate crystalline material is thermodynamically stable depends on identifying its true ground-state structure, a central challenge in computational materials science. We introduce CrystalGRW, a diffusion-based…

Integrated computational materials engineering (ICME) has significantly enhanced the systemic analysis of the relationship between microstructure and material properties, paving the way for the development of high-performance materials.…

Materials Science · Physics 2023-12-14 Kang-Hyun Lee , Gun Jin Yun

Acquiring reliable microstructure datasets is a pivotal step toward the systematic design of materials with the aid of integrated computational materials engineering (ICME) approaches. However, obtaining three-dimensional (3D)…

Materials Science · Physics 2023-09-26 Kang-Hyun Lee , Gun Jin Yun

Atomic diffusion affects the properties of various engineering materials, which predominantly occur in the polycrystalline state. A rigorous description of polycrystalline diffusion must therefore account for crystallographic defects,…

Materials Science · Physics 2025-10-21 Lena Scholz , Yongliang Ou , Blazej Grabowski , Felix Fritzen

In the field of computer vision, unsupervised learning for 2D object generation has advanced rapidly in the past few years. However, 3D object generation has not garnered the same attention or success as its predecessor. To facilitate novel…

Computer Vision and Pattern Recognition · Computer Science 2020-07-29 Devendra K. Jangid , Neal R. Brodnik , Amil Khan , McLean P. Echlin , Tresa M. Pollock , Sam Daly , B. S. Manjunath

Materials performance is deeply linked to their microstructures, which govern key properties such as strength, durability, and fatigue resistance. EBSD is a major technique for characterizing these microstructures, but acquiring large and…

Materials Science · Physics 2025-12-22 Sterley Labady , Youssef Mesri , Daniel Pino Munoz , Baptiste Flipon , Marc Bernacki

In this research, atomistic molecular dynamics simulations are combined with mesoscopic phase-field computational methods in order to investigate phase-transformation in polycrystalline Aluminum microstructure. In fact, microstructural…

Materials Science · Physics 2019-07-03 Mehrdad Yousefi

This paper introduces StructDiff, a generative framework based on a single-scale diffusion model for single-image generation. Single-image generation aims to synthesize diverse samples with similar visual content to the source image by…

Computer Vision and Pattern Recognition · Computer Science 2026-04-15 Yinxi He , Kang Liao , Chunyu Lin , Tianyi Wei , Yao Zhao

In this study, we address damage initiation and micro-crack formation in ductile failure of polycrystalline metals. We show how our recently published thermodynamic framework for ductile phase-field fracture of single crystals can be…

Numerical Analysis · Mathematics 2024-11-01 Kim Louisa Auth , Jim Brouzoulis , Magnus Ekh

Heterogeneous porous materials play a crucial role in various engineering systems. Microstructure characterization and reconstruction provide effective means for modeling these materials, which are critical for conducting physical property…

Computational Physics · Physics 2025-11-19 Zhenchuan Ma , Qizhi Teng , Pengcheng Yan , Lindong Li , Kirill M. Gerke , Marina V. Karsanina , Xiaohai He

Existing video generation models excel at producing photo-realistic videos from text or images, but often lack physical plausibility and 3D controllability. To overcome these limitations, we introduce PhysCtrl, a novel framework for…

Computer Vision and Pattern Recognition · Computer Science 2025-11-11 Chen Wang , Chuhao Chen , Yiming Huang , Zhiyang Dou , Yuan Liu , Jiatao Gu , Lingjie Liu

The standard way of modeling plasticity in polycrystals is by using the crystal plasticity model for single crystals in each grain, and imposing suitable traction and slip boundary conditions across grain boundaries. In this fashion, the…

Computational Physics · Physics 2017-06-07 Nikhil Chandra Admal , Giacomo Po , Jaime Marian

Faces-classes of grains, often referred to as topological features, largely dictate the evolution of polycrystalline microstructures during grain growth. Realising these topological features is generally an arduous task, often demanding…

Materials Science · Physics 2023-01-02 Mridhula Venkatanarayanan , P G Kubendran Amos

Architected materials achieve unique mechanical properties through precisely engineered microstructures that minimize material usage. However, a key challenge of low-density materials is balancing high stiffness with stable deformability up…

Materials Science · Physics 2024-09-20 Matheus I. N. Rosa , Konstantinos Karapiperis , Kaoutar Radi , Dennis M. Kochmann

We introduce PolyDiff, the first diffusion-based approach capable of directly generating realistic and diverse 3D polygonal meshes. In contrast to methods that use alternate 3D shape representations (e.g. implicit representations), our…

Computer Vision and Pattern Recognition · Computer Science 2023-12-19 Antonio Alliegro , Yawar Siddiqui , Tatiana Tommasi , Matthias Nießner

Understanding and generating the fine-grained structure of objects -- such as birds with species-specific beaks, wings, and tails -- is a long-standing challenge in computer vision. We propose Chirpy3D, a part-aware multi-view diffusion…

Computer Vision and Pattern Recognition · Computer Science 2026-05-28 Kam Woh Ng , Jing Yang , Jia Wei Sii , Chee Seng Chan , Jiankang Deng , Yi-Zhe Song , Tao Xiang , Xiatian Zhu