We are using ultrafast shock experiments, carbon condensates recovery and analysis, and large-scale simulations to develop more accurate models of explosives while advancing the emerging field of detonation and high-pressure synthesis science. Predicting the behavior of carbon-rich explosives under strong shock conditions advances the physics, chemistry, and material science of high explosives in support of National Nuclear Security Administration missions.
Armstrong, M. R., et al. 2018. "Ultrafast Shock Experiments on Cryogenic Carbon Monoxide." APS Meeting, Los Angeles, CA, March 2018. LLNL-ABS-740937, LLNL-PRES-747542.
Lindsey, R. K., et al. 2018. "Achieving Large Scale Quantum-Accurate Reactive Molecular Dynamics." LLNL-PRES-759891.
——— . 2018. "Chebyshev Interaction Model for Efficient Simulations (ChIMES): Rapidly Parameterizable Force Fields for Quantum-Accurate Reactive Simulation." LLNL-PRES-756276.
——— . 2018. "ChIMES: Machine-Learned Force Fields for Quantum-Accurate Reactive Simulation." Data Science Workshop. LLNL-ABS-751889, LLNL-POST-754507.
——— . 2018. "Shock-Induced Chemical Reactivity in CO on Picosecond Time Scales." 16th International Detonation Symposium, Cambridge, MD, July 2018. LLNL-ABS-740040, LLNL-PRES-754199.