Crystalline molecular explosives are key components of engineered explosive formulations.
In precision applications a high degree of consistency and predictability is desired under a …

A numerical model is developed to study the shock wave ignition of octahydro-1, 3, 5, 7-
tetranitro-1, 3, 5, 7-tetrazocine (HMX) crystal. The model accounts for the coupling between …

Material models for single-crystal β-HMX are systematically examined in the context of
continuum pore-collapse simulations. Continuum predictions using five different isotropic …

The collapse of pores plays an essential role in the shock initiation of high energy (HE)
materials. When these materials are subjected to shock loading, energy is localized in hot …

This work examines the use of crystal based continuum mechanics in the context of dynamic
loading. In particular, we examine model forms and simulations which are relevant to pore …

The formation of hotspots due to collapse of voids leads to enhanced sensitivity of
heterogeneous energetic (HE) materials. Several mechanisms of void collapse have been …

A fundamental understanding of solid electrolyte interphase (SEI) properties is critical for
enabling further improvement of lithium batteries and stabilizing the anode–electrolyte …

Quantum chemistry-based dipole polarizable and nonpolarizable force fields have been
developed for 1, 3, 5-triamino-2, 4, 6-trinitrobenzene (TATB). Molecular dynamics …

Molecular dynamics has been employed to simulate the well-known high energy density
compound ε-CL-20 (hexanitrohexaazaisowurtzitane) crystal and 12 ε-CL-20-based PBXs …

The explosive molecular crystal cyclotetramethylene tetranitramine was studied in three
orientations in a set of plate impact experiments; the orientations studied were {110},{011} …