Continuum shock mixture models for Ni+Al multilayers: Inert mesoscale simulations

Kittell, David E.; Specht, Paul Elliott; Abere, Michael Joseph Kim; Potter, Kevin Matthew; Adams, David P.

doi:10.1063/5.0274283

Continuum shock mixture models for Ni+Al multilayers: Inert mesoscale simulations

Journal Article · Mon Jun 09 00:00:00 EDT 2025 · Journal of Applied Physics

DOI:https://doi.org/10.1063/5.0274283· OSTI ID:2584023

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Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)

Mesoscale modeling of shock waves in Ni+Al multilayers poses significant challenges that are due, in part, to shock-induced chemical reactions. Current modeling approaches utilize reactive molecular dynamics (MD), but they are limited to resolving domains of only a few hundred nanometers. In contrast, actual multilayer superlattices can be tens of micrometers thick, and they exhibit non-ideal (i.e., wavy) interfaces. The second part of our research builds upon previous work developing physically based, thermodynamically complete equations of state for various Ni and Al intermetallic compositions. Here, we introduce a novel workflow for high-fidelity mesoscale simulations of Ni+Al multilayers using a continuum hydrocode. By increasing the simulation domain size beyond MD limitations (e.g., 2 × 6 μm²) and incorporating explicit interfacial roughness, we investigate the shock response of Ni+Al multilayers at previously unexplored scales. Our experimental design encompasses nine multilayer geometries with varying roughness amplitudes and tilt angles (θ = 15°, 30°, and 45°), alongside 19 flyer impact velocities ranging from 0.3 to 3.0 km/s, resulting in a total of 171 high-fidelity simulations. The bulk shock state from inert 2D mesoscale simulations aligns with the law of mixtures, while temperature and pressure fluctuations strongly correlate with multilayer geometry types. A new metric dubbed the “hot spot probability integral” shows a greater dependence on a tilt angle than interfacial roughness.

View Accepted Manuscript (DOE)

Research Organization:: Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA); USDOE Laboratory Directed Research and Development (LDRD) Program

Grant/Contract Number:: NA0003525

OSTI ID:: 2584023

Alternate ID(s):: OSTI ID: 2585617

Journal Information:: Journal of Applied Physics, Journal Name: Journal of Applied Physics Journal Issue: 22 Vol. 137; ISSN 0021-8979; ISSN 1089-7550

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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