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The microstructure of material strongly influences its mechanical properties and the microstructure itself is influenced by the processing conditions. Thus, establishing a Process-Structure-Property relationship is a crucial task in…

Materials Science · Physics 2021-07-21 Mohammad Safiuddin , CH Likith Reddy , Ganesh Vasantada , CHJNS Harsha , Srinu Gangolu

A key problem in computational material science deals with understanding the effect of material distribution (i.e., microstructure) on material performance. The challenge is to synthesize microstructures, given a finite number of…

Thin films are ubiquitous in modern technology and highly useful in materials discovery and design. For achieving optimal extrinsic properties their microstructure needs to be controlled in a multi-parameter space, which usually requires a…

Applied Physics · Physics 2020-03-31 Lars Banko , Yury Lysogorskiy , Dario Grochla , Dennis Naujoks , Ralf Drautz , Alfred Ludwig

The research and development cycle of advanced manufacturing processes traditionally requires a large investment of time and resources. Experiments can be expensive and are hence conducted on relatively small scales. This poses problems for…

Computer Vision and Pattern Recognition · Computer Science 2023-02-17 Scott Howland , Lara Kassab , Keerti Kappagantula , Henry Kvinge , Tegan Emerson

With a goal of accelerating fabrication of additively manufactured components with precise microstructures, we developed a method for structural characterization of key features in additively manufactured materials and parts. The method…

Computer Vision and Pattern Recognition · Computer Science 2023-02-14 Amra Peles , Vincent C. Paquit , Ryan R. Dehoff

We investigate methods of microstructure representation for the purpose of predicting processing condition from microstructure image data. A binary alloy (uranium-molybdenum) that is currently under development as a nuclear fuel was studied…

In this study, a novel topology optimization approach based on conditional Wasserstein generative adversarial networks (CWGAN) is developed to replicate the conventional topology optimization algorithms in an extremely computationally…

Machine Learning · Computer Science 2019-01-16 Sharad Rawat , M. -H. Herman Shen

Data scarcity and sparsity in bio-manufacturing poses challenges for accurate model development, process monitoring, and optimization. We aim to replicate and capture the complex dynamics of industrial bioprocesses by proposing the use of a…

Emerging Technologies · Computer Science 2025-10-21 Shawn M. Gibford , Mohammad Reza Boskabadi , Christopher J. Savoie , Seyed Soheil Mansouri

Machine learning-based data-driven modeling can allow computationally efficient time-dependent solutions of PDEs, such as those that describe subsurface multiphysical problems. In this work, our previous approach of conditional generative…

Computational Engineering, Finance, and Science · Computer Science 2022-08-31 T. Kadeethum , D. O'Malley , Y. Choi , H. S. Viswanathan , N. Bouklas , H. Yoon

The analysis of parametric and non-parametric uncertainties of very large dynamical systems requires the construction of a stochastic model of said system. Linear approaches relying on random matrix theory and principal componant analysis…

Machine Learning · Statistics 2023-02-02 Hamza Boukraichi , Nissrine Akkari , Fabien Casenave , David Ryckelynck

In recent years, there has been a growing interest in accelerated materials innovation in the context of the process-structure-property chain. In this regard, it is essential to take into account manufacturing processes and tailor materials…

Materials Science · Physics 2024-11-12 Lukas Morand , Tarek Iraki , Johannes Dornheim , Stefan Sandfeld , Norbert Link , Dirk Helm

We propose a physics-aware generative adversarial network model, FluxGAN, capable of simultaneously generating high-quality images of large microstructures and description of their thermal properties. During the training phase, the model…

Disordered Systems and Neural Networks · Physics 2023-10-10 Artem K. Pimachev , Manoj Settipalli , Sanghamitra Neogi

Generating realistic graph-structured data is challenging due to discrete structures, variable sizes, and class-specific connectivity patterns that resist conventional generative modelling. While recent graph generation methods employ…

Machine Learning · Computer Science 2026-02-02 Seyedeh Ava Razi Razavi , James Sargant , Sheridan Houghten , Renata Dividino

Microstructure of materials is often characterized through image analysis to understand processing-structure-properties linkages. We propose a largely automated framework that integrates unsupervised and supervised learning methods to…

Applications · Statistics 2025-09-05 Kungang Zhang , Wei Chen , Wing K. Liu , L. Catherine Brinson , Daniel W. Apley

Image-based crop growth modeling can substantially contribute to precision agriculture by revealing spatial crop development over time, which allows an early and location-specific estimation of relevant future plant traits, such as leaf…

Computer Vision and Pattern Recognition · Computer Science 2024-06-25 Lukas Drees , Dereje T. Demie , Madhuri R. Paul , Johannes Leonhardt , Sabine J. Seidel , Thomas F. Döring , Ribana Roscher

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

The sensitivity of heterogeneous energetic (HE) materials (propellants, explosives, and pyrotechnics) is critically dependent on their microstructure. Initiation of chemical reactions occurs at hot spots due to energy localization at sites…

Materials Science · Physics 2023-05-12 Sehyun Chun , Sidhartha Roy , Yen Thi Nguyen , Joseph B. Choi , H. S. Udaykumar , Stephen S. Baek

Conditional distribution is a fundamental quantity for describing the relationship between a response and a predictor. We propose a Wasserstein generative approach to learning a conditional distribution. The proposed approach uses a…

Machine Learning · Computer Science 2021-12-21 Shiao Liu , Xingyu Zhou , Yuling Jiao , Jian Huang

Generative models are successfully used for image synthesis in the recent years. But when it comes to other modalities like audio, text etc little progress has been made. Recent works focus on generating audio from a generative model in an…

Computer Vision and Pattern Recognition · Computer Science 2018-09-30 Chae Young Lee , Anoop Toffy , Gue Jun Jung , Woo-Jin Han

Stochastic subgrid-scale parametrizations aim to incorporate effects of unresolved processes in an effective model by sampling from a distribution usually described in terms of resolved modes. This is an active research area in climate,…

Computational Physics · Physics 2021-12-01 Jeric Alcala , Ilya Timofeyev
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