Large-Scale Reactive Simulations of Shocked Energetic Materials
Sandia National Laboratories
Starting with the first parallel implementation of the ReaxFF potential in the GRASP MD code in 2006, the shock response of energetic materials has proven to be an excellent science application for reactive molecular dynamics. This is still true today, with the newly-completed LAMMPS Kokkos implementation of ReaxFF and the NNSA Trinity computer being used to run 0.1B atom simulations of shock-induced void collapse and hotspot initiation in HNS. In this talk, I will review the progression of energetic materials simulations over the last decade, highlighting some recent accomplishments and discussing what we envision doing next.