Artificial intelligence approaches for energetic materials by design: state of the art, challenges, and future directions

JB Choi, PCH Nguyen, O Sen… - Propellants …, 2023 - Wiley Online Library
Artificial intelligence (AI) is rapidly emerging as a enabling tool for solving complex materials
design problems. This paper aims to review recent advances in AI‐driven materials‐by …

A Physics‐Aware Deep Learning Model for Energy Localization in Multiscale Shock‐To‐Detonation Simulations of Heterogeneous Energetic Materials

PCH Nguyen, YT Nguyen, PK Seshadri… - Propellants …, 2023 - Wiley Online Library
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 …

PARC: Physics-aware recurrent convolutional neural networks to assimilate meso scale reactive mechanics of energetic materials

PCH Nguyen, YT Nguyen, JB Choi, PK Seshadri… - Science …, 2023 - science.org
The thermo-mechanical response of shock-initiated energetic materials (EMs) is highly
influenced by their microstructures, presenting an opportunity to engineer EM …

PARCv2: Physics-aware recurrent convolutional neural networks for spatiotemporal dynamics modeling

PCH Nguyen, X Cheng, S Azarfar, P Seshadri… - arXiv preprint arXiv …, 2024 - arxiv.org
Modeling unsteady, fast transient, and advection-dominated physics problems is a pressing
challenge for physics-aware deep learning (PADL). The physics of complex systems is …

[HTML][HTML] Impact-induced deformation and ignition related to localized viscous shear flow heating for high-ductility composite energetic materials

K Yang, H Duan, Y Wu, X Hou, F Huang - Materials & Design, 2022 - Elsevier
Understanding the impact-induced deformation and ignition properties of high-ductility
composite energetic material (CEM), including high-energy propellants and casted high …

Multi-scale modeling of shock initiation of a pressed energetic material III: Effect of Arrhenius chemical kinetic rates on macro-scale shock sensitivity

P Parepalli, YT Nguyen, O Sen, DB Hardin… - Journal of Applied …, 2024 - pubs.aip.org
Multi-scale predictive models for the shock sensitivity of energetic materials connect energy
localization (“hotspots”) in the microstructure to macro-scale detonation phenomena …

Electromagnetohydrodynamic (EMHD) flow through porous media—Multiscale approach

P Majumdar, D Dasgupta - Journal of Applied Physics, 2023 - pubs.aip.org
Electromagnetohydrodynamic (EMHD) flow in porous media is recently gaining substantial
attention from researchers. EMHD involves analyzing the combined effects of electric and …

Physically evocative meso-informed sub-grid source term for energy localization in shocked heterogeneous energetic materials

YT Nguyen, PK Seshadri, HS Udaykumar - Journal of Applied Physics, 2023 - pubs.aip.org
Reactive burn models for heterogeneous energetic materials (EMs) must account for
chemistry as well as microstructure to predict shock-to-detonation transition (SDT). Upon …

Effects of micrometer-scale cavities on the shock-to-detonation transition in a heterogeneous LX-17 energetic material

J Sun, P Yang, B Meng, R Zhou, B Tian, Z Chen - Physics of Fluids, 2023 - pubs.aip.org
Cavities and other fracture structures within energetic materials may have significant impact
on their performance. The mechanism on how hot spots induced by cavity collapse affect the …

Multiscale reactive model for 1, 3, 5-triamino-2, 4, 6-trinitrobenzene inferred by reactive MD simulations and unsupervised learning

P Lafourcade, JB Maillet, J Roche… - The Journal of …, 2023 - ACS Publications
When high-energy-density materials are subjected to thermal or mechanical insults at
extreme conditions (shock loading), a coupled response between the thermo-mechanical …