Abstract
Many of the safety properties of solid energetic materials are related to microstructural features. The mechanisms coupling microstructural features to safety, however, are difficult to directly measure. Grain-scale simulation is a rapidly expanding area which promises to improve our understanding of energetic material safety. In this chapter, we review two approaches to grain-scale simulation. The first is multi-crystal simulations, which emphasize the role of multi-crystal interactions in determining the response of the material. The second is single-crystal simulations, which emphasize a more detailed treatment of the chemical and physical processes underlying energetic material safety.
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Reproduced with permission from Austin RA, Barton NR, Reaugh JE, Fried LE J Appl Phys 117:185902. Copyright 2015, AIP Publishing LLC
Acknowledgements
This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 (LLNL-BOOK-692711).
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Austin, R.A., Springer, H.K., Fried, L.E. (2017). Grain-Scale Simulation of Shock Initiation in Composite High Explosives. In: Shukla, M., Boddu, V., Steevens, J., Damavarapu, R., Leszczynski, J. (eds) Energetic Materials. Challenges and Advances in Computational Chemistry and Physics, vol 25. Springer, Cham. https://doi.org/10.1007/978-3-319-59208-4_8
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