A multiscale modeling strategy is used to quantify factors governing the temperature rise in
hot spots formed by pore collapse from supported and unsupported shock waves in the high …

Studies on the physicomechanical properties of commonly used energetic materials (EMs)
that were pursued by the group led by Professor John Sherwood are reviewed in this paper …

Meso-scale calculations of energy localization and initiation in energetic material
microstructures must capture the deformation and collapse of pores and high-temperature …

We have used reverse non-equilibrium molecular dynamics (⁠ R NEMD) simulations to
determine the full thermal conductivity tensor for the monoclinic high explosive crystal β-1, 3 …

Pore collapse induced hotspot formation is a key mechanism for initiating detonation of
shocked high explosives. Accurate continuum models that faithfully capture the pore …

Dispersion-corrected density functional theory calculations of the generalised stacking fault
energy surface of the (101) plane in monoclinic β-cyclotetramethylene tetranitramine (β …

We have used molecular dynamics simulations to determine the transport properties of
liquid pentaerythritol tetranitrate (PETN), an important energetic material. The density, ρ, self …

The molecular crystal cyclotetramethylene-tetranitramine (β-HMX) is a broadly used
energetic material. Its plastic deformation is important when describing the detonation …

High-fidelity constitutive models are critical for accurate meso-scale continuum modeling
and prediction of shock initiation of crystalline energetic materials (EMs). While empirically …

Using shock‐induced quasi‐2D pore collapse in β‐HMX as a specific case study, we
address three practical questions that arise when designing and interpreting molecular …