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High-fidelity simulations of shock initiation of an energetic crystal-binder system due to flyer impact
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High-fidelity simulations of shock initiation of an energetic crystal-binder system due to flyer impact

Shobhan Roy, Pradeep K Seshadri, Chukwudubem Okafor, Belinda P Johnson and H. S Udaykumar
ArXiv.org
Cornell University
04/05/2026
DOI: 10.48550/arxiv.2604.04308
url
https://doi.org/10.48550/arxiv.2604.04308View
Preprint (Author's original) This preprint has not been evaluated by subject experts through peer review. Preprints may undergo extensive changes and/or become peer-reviewed journal articles. Open Access

Abstract

Meso-scale simulations of energy localization at hotspots provide closure models for multiscale frameworks of shock-to-detonation transition (SDT). Validation of such meso-scale calculations is challenging as direct comparison with experiments is constrained both by limitations of data acquisition in the experiments (e.g., of temperature fields) and modeling over-simplifications in the simulations. To address the latter problem and bring modeling closer to experiments, we advance a high-fidelity meso-scale computational framework for interface-resolved reactive calculations of shock initiation in plastic-bonded explosives (PBXs). Accurate resolution of shock and interfacial dynamics is achieved through higher-order (5th-order WENO) schemes, and sharp interface treatments are implemented for physically accurate material-material interactions. Recently obtained atomistics-consistent material models are used for HMX, with the grid resolution taken down to atomistic scale (O(nm)). The crystal geometries are obtained directly from experiments via nano-CT imaging. The impacting flyer plate, energetic crystal and binder are tracked as distinct phases, and flyer-binder impact and separation are simulated, capturing the flyer deformation and the effects of relief waves from the flyer surface. By combining these high-fidelity modeling components, we evaluate how closely simulations can approach experimental data. Overall, this work provides as assessment of which aspects of numerical treatment and material modeling have the greatest impact on meso-scale simulations of flyer-induced initiation of PBXs, and points to where further improvements are necessary.
 Physics - Applied Physics Physics - Computational Physics Physics - Fluid Dynamics Physics - Materials Science Physics - Mesoscale and Nanoscale Physics

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