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Predictive simulations of the shock-to-detonation transition (SDT) in heterogeneous energetic materials (EM) are vital to the design and control of their energy release and sensitivity. Due to the complexity of the thermo-mechanics of EM…

The thermo-mechanical response of shock-initiated energetic materials (EM) is highly influenced by their microstructures, presenting an opportunity to engineer EM microstructure in a "materials-by-design" framework. However, the current…

Direct numerical simulation of hierarchical materials via homogenization-based concurrent multiscale models poses critical challenges for 3D large scale engineering applications, as the computation of highly nonlinear and path-dependent…

Computational Engineering, Finance, and Science · Computer Science 2022-12-29 Shiguang Deng

Physics-aware deep learning (PADL) has gained popularity for use in complex spatiotemporal dynamics (field evolution) simulations, such as those that arise frequently in computational modeling of energetic materials (EM). Here, we show that…

Materials Science · Physics 2025-12-16 Zoë J. Gray , Joseph B. Choi , Youngsoo Choi , H. Keo Springer , H. S. Udaykumar , Stephen S. Baek

The behavior of materials is influenced by a wide range of phenomena occurring across various time and length scales. To better understand the impact of microstructure on macroscopic response, multiscale modeling strategies are essential.…

Modeling the unsaturated behavior of porous materials with multimodal pore size distributions presents significant challenges, as standard hydraulic models often fail to capture their complex, multi-scale characteristics. A common…

Geophysics · Physics 2026-03-05 Yejin Kim , Hyoung Suk Suh

Meta-materials are an important emerging class of engineered materials in which complex macroscopic behaviour--whether electromagnetic, thermal, or mechanical--arises from modular substructure. Simulation and optimization of these materials…

Machine Learning · Computer Science 2020-05-18 Alex Beatson , Jordan T. Ash , Geoffrey Roeder , Tianju Xue , Ryan P. Adams

Meta-learning, or learning-to-learn, seeks to design algorithms that can utilize previous experience to rapidly learn new skills or adapt to new environments. Representation learning -- a key tool for performing meta-learning -- learns a…

Machine Learning · Computer Science 2022-01-04 Nilesh Tripuraneni , Chi Jin , Michael I. Jordan

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

Mesoscale simulations of discrete defects in metals provide an ideal framework to investigate the micro-scale mechanisms governing the plastic deformation under high thermal and mechanical loading conditions. To bridge size and time-scale…

We present an approach to numerical homogenization of the elastic response of microstructures. Our work uses deep neural network representations trained on data obtained from direct numerical simulation (DNS) of martensitic phase…

Computational Physics · Physics 2019-01-04 K. Sagiyama , K. Garikipati

We propose a method to facilitate exploration and analysis of new large data sets. In particular, we give an unsupervised deep learning approach to learning a latent representation that captures semantic similarity in the data set. The core…

Computer Vision and Pattern Recognition · Computer Science 2020-12-23 Gary B Huang , Huei-Fang Yang , Shin-ya Takemura , Pat Rivlin , Stephen M Plaza

Machine learning approaches to spatiotemporal physical systems have primarily focused on next-frame prediction, with the goal of learning an accurate emulator for the system's evolution in time. However, these emulators are computationally…

Machine Learning · Computer Science 2026-03-16 Helen Qu , Rudy Morel , Michael McCabe , Alberto Bietti , François Lanusse , Shirley Ho , Yann LeCun

The expansiveness of compositional phase space is too vast to fully search using current theoretical tools for many emergent problems in condensed matter physics. The reliance on a deep chemical understanding is one method to identify local…

Superconductivity · Physics 2023-01-26 Lazar Novakovic , Ashkan Salamat , Keith V. Lawler

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 physical sciences are replete with dynamical systems that require the resolution of a wide range of length and time scales. This presents significant computational challenges since direct numerical simulation requires discretization at…

Machine Learning · Computer Science 2025-11-11 Andrew F. Ilersich , Prasanth B. Nair

From the nano-scale to the macro-scale, biological tissue is spatially heterogeneous. Even when tissue behavior is well understood, the exact subject specific spatial distribution of material properties is often unknown. And, when…

Tissues and Organs · Quantitative Biology 2020-11-02 Emma Lejeune , Bill Zhao

The response of materials to dynamical, or shock, loading is important to planetary science, aerospace engineering, and energetic materials. Thermal-activated processes, including chemical reactions and phase transitions, are significantly…

Materials Science · Physics 2023-03-31 Chunyu Li , Juan Carlos Verduzco , Brian H. Lee , Robert J. Appleton , Alejandro Strachan

Representation learning is a widely adopted framework for learning in data-scarce environments, aiming to extract common features from related tasks. While centralized approaches have been extensively studied, decentralized methods remain…

Machine Learning · Computer Science 2025-12-30 Donghwa Kang , Shana Moothedath

Machine-learning models in high-energy physics are often trained on simulated data, where fully simulated samples are computationally expensive while fast simulation provides large statistics at reduced realism. In this work, we…

Machine Learning · Computer Science 2026-05-11 Matthias Schott , Lucie Flek
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