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Machine learning has the potential to accelerate materials discovery by accurately predicting materials properties at a low computational cost. However, the model inputs remain a key stumbling block. Current methods typically use…

Computational Physics · Physics 2021-01-07 Rhys E. A. Goodall , Alpha A. Lee

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

The vast combination of material properties seen in nature are achieved by the complexity of the material microstructure. Advanced characterization and physics based simulation techniques have led to generation of extremely large…

Machine Learning · Computer Science 2023-01-12 Veera Sundararaghavan , Megna N. Shah , Jeff P. Simmons

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

Analyzing large volumes of high-dimensional data requires dimensionality reduction: finding meaningful low-dimensional structures hidden in their high-dimensional observations. Such practice is needed in atomistic simulations of complex…

Computational Physics · Physics 2023-10-17 Jakub Rydzewski , Ming Chen , Omar Valsson

This paper considers the design of structures made of engineered materials, accounting for uncertainty in material properties. We present a topology optimization approach that optimizes the structural shape and topology at the macroscale…

Optimization and Control · Mathematics 2021-10-27 Subhayan De , Kurt Maute , Alireza Doostan

Cellular solids and micro-lattices are a class of lightweight architected materials that have been established for their unique mechanical, thermal, and acoustic properties. It has been shown that by tuning material architecture, a…

Materials Science · Physics 2024-03-12 Shengzhi Luan , Enze Chen , Joel John , Stavros Gaitanaros

Simplified representations of macromolecules help in rationalising and understanding the outcome of atomistic simulations, and serve to the construction of effective, coarse-grained models. The number and distribution of coarse-grained…

Soft Condensed Matter · Physics 2021-10-27 Roberto Menichetti , Marco Giulini , Raffaello Potestio

The three-dimensional (3D) microstructures of polycrystalline materials exert a critical influence on their mechanical and physical properties. Realistic, controllable construction of these microstructures is a key step toward elucidating…

Computer Vision and Pattern Recognition · Computer Science 2026-03-13 Chi Chen , Tianle Jiang , Xiaodong Wei , Yanming Wang

This work proposes a general framework for capturing noise-driven transitions in spatially extended non-equilibrium systems and explains the emergence of coherent patterns beyond the instability onset. The framework relies on stochastic…

Dynamical Systems · Mathematics 2024-12-16 Mickaël D. Chekroun , Honghu Liu , James C. McWilliams

Machine learning techniques not only offer efficient tools for modelling dynamical systems from data, but can also be employed as frontline investigative instruments for the underlying physics. Nontrivial information about the original…

Data Analysis, Statistics and Probability · Physics 2021-02-24 Francesco Borra , Marco Baldovin

Properties of crystalline materials are closely linked to microstructure arising from the spatial arrangement, orientation, and phase of nanocrystals. Rapid characterization of crystalline microstructure can accelerate the identification of…

Materials Science · Physics 2026-02-16 Kwanghwi Je , Ellis R. Kennedy , Sungin Kim , Yao Yang , Erik H. Thiede

Machine learning techniques have been widely employed as effective tools in addressing various engineering challenges in recent years, particularly for the challenging task of microstructure-informed materials modeling. This work provides a…

Materials Science · Physics 2024-05-29 Xiang-Long Peng , Mozhdeh Fathidoost , Binbin Lin , Yangyiwei Yang , Bai-Xiang Xu

Finding efficient means of fingerprinting microstructural information is a critical step towards harnessing data-centric machine learning approaches. A statistical framework is systematically developed for compressed characterisation of a…

Computer Vision and Pattern Recognition · Computer Science 2024-01-23 Michael D. White , Alexander Tarakanov , Christopher P. Race , Philip J. Withers , Kody J. H. Law

A topology optimization method is presented for the design of periodic microstructured materials with prescribed homogenized nonlinear constitutive properties over finite strain ranges. The mechanical model assumes linear elastic isotropic…

Computational Engineering, Finance, and Science · Computer Science 2020-05-20 Reza Behrou , Maroun Abi Ghanem , Brianna C. Macnider , Vimarsh Verma , Ryan Alvey , Jinho Hong , Ashley F. Emery , Hyunsun Alicia Kim , Nicholas Boechler

Synthesizing realistic microstructure images conditioned on processing parameters is crucial for understanding process-structure relationships in materials design. However, this task remains challenging due to limited training micrographs…

Materials Science · Physics 2025-11-21 Hoang Cuong Phan , Minh Tien Tran , Chihun Lee , Hoheok Kim , Sehyeok Oh , Dong-Kyu Kim , Ho Won Lee

Stochastic porous structures are ubiquitous in natural phenomena and have gained considerable traction across diverse domains owing to their exceptional physical properties. The recent surge in interest in microstructures can be attributed…

Graphics · Computer Science 2023-05-17 Zhongren Wang , Lihao Tian , Xiaokang Liu , Andrei Sharf , Lin Lu

Machine learning (ML) is emerging as a transformative tool for the design of architected materials, offering properties that far surpass those achievable through lab-based trial-and-error methods. However, a major challenge in current…

We construct and study branching Markov processes on the space of finite configurations of the state space of a given standard process, controlled by a branching kernel and a killing one. In particular, we may start with a superprocess,…

Probability · Mathematics 2015-08-03 Lucian Beznea , Oana Lupascu

Honeycomb-like microstructures have been shown to exhibit local elastic buckling under compression, with three possible geometric buckling modes, or pattern transformations. The individual pattern transformations, and consequently also…

Soft Condensed Matter · Physics 2020-04-14 O. Rokoš , M. M. Ameen , R. H. J. Peerlings , M. G. D. Geers