Three-dimensional microstructure-explicit and void-explicit mesoscale simulations of detonation of HMX at millimeter sample size scale

Abstract

Fully three-dimensional (3D) microstructure-explicit and void-explicit mesoscale simulations of the shock-to-detonation (SDT) process of pressed granular HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) are performed. The overall size scale of the models is up to 3 × 3 × 15 mm3, with ∼30 000 grains and 206 265 voids. The models account for the heterogeneous material microstructure, constituent distribution, constituent morphology, and voids. Loading conditions considered involve piston velocities in the range of 600-1200 m/s or pressures in the range of 4-8 GPa. The focus is on analyzing the SDT process and the effects of microstructure and voids on the run-to-detonation distance (RDD). Companion two-dimensional (2D) simulations are also carried out to assess the differences between 2D and 3D. Statistically equivalent microstructure sample sets (SEMSSs) are generated and used for both 2D and 3D, allowing the prediction of the statistical and probabilistic Pop plots (PPs). The predictions are in general agreement with trends in available experimental data in the literature. It is found that both the microstructure (heterogeneous grain size, morphology, and size distribution) and voids significantly affect the RDD and the PPs. These effects are systematically delineated and quantified via the use of SEMSSs with different combinations of attributes. A recently developed probabilistic formulation for the PPs is used to characterize the results, allowing uncertainties in the relations between the shock pressure and RDD arising from material heterogeneities to be quantified. The probabilistic formulation is further used to quantify the confidence levels in the ranked order of influences of different combinations of microstructure and voids on the PPs.