  In energetic materials, the localization of energy into "hotspots" when a
shock wave interacts with the material's microstructure is known to dictate the
initiation of chemical reactions and detonation. Recent results have shown
that, following the shock-induced collapse of pores with circular
cross-sections, more energy is localized as internal potential energy (PE) than
can be inferred from the kinetic energy (KE) distribution. This leads to a
complex thermo-mechanical state that is typically overlooked. The mechanisms
associated with pore collapse and hotspot formation and the resulting energy
localization are known to be highly dependent on material properties,
especially its ability to deform plastically and alleviate strain energy, as
well as the size and shape of the pore. Therefore, we use molecular dynamics
simulations to characterize shock-induced pore collapse and the subsequent
formation of hotspots in TATB, a highly anisotropic molecular crystal, for
various defect shapes, shock strengths and crystallographic orientations. We
find that the the localization of energy as PE is consistently higher and its
extent larger than as localized as KE. A detailed analysis of the MD
trajectories reveal the underlying molecular process that govern the effect of
orientation and pore shape on the resulting hotspots. We find that the regions
of highest PE for a given KE relate to not the impact front of the collapse,
but the areas of maximum plastic deformation, while KE is maximized at the
point of impact. A comparison with previous results in HMX reveal less energy
localization in TATB which could be a contributing factor to its insensitivity.
