2023/03/30 by Chunyu Li, Li, Chunyu, Juan C. Verduzco +7 · 2 citations
Earth and Planetary Sciences · Engineering · #Combustion and Detonation Processes #Energetic Materials and Combustion #FOS: Physical sciences #High-pressure geophysics and materials #Materials Science (cond-mat.mtrl-sci)
paper · pdf · doi:10.48550/arxiv.2303.17345
openalex publication_date 2023/03/30 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
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 accelerated by the localization of the energy deposited into hotspots. These results from the interaction of a supersonic wave with the materials microstructure and are governed by complex, coupled processes, including the collapse of porosity, interfacial friction, and localized plastic deformation. These mechanisms are not fully understood and today we lack predictive models to, for example, predict the shock to detonation transition from chemistry and microstructure alone. We demonstrate that deep learning techniques can be used to predict the resulting shock-induced temperature fields in complex composite materials obtained from large-scale molecular dynamics simulations with the initial microstructure as the only input. The accuracy of the Microstructure-Informed Shock-induced Temperature net (MISTnet) model is higher than the current state of the art at a fraction of the computation cost.