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cond-mat.mes-hall2024
On resolving meso-scale calculations of pore-collapse-generated hotspots in energetic crystals for consistency with atomistic models
Chukwudubem Okafor, Jacob Herrin, Catalin R. Picu +4
Meso-scale calculations of pore collapse and hotspot formation in energetic crystals provide closure models to macro-scale hydrocodes for predicting the shock sensitivity of energe…
cond-mat.mes-hall2024
Graph neural network coarse-grain force field for the molecular crystal RDX
Brian H. Lee, James P. Larentzos, John K. Brennan +1
Condense phase molecular systems organize in wide range of distinct molecular configurations, including amorphous melt and glass as well as crystals often exhibiting polymorphism,…