[c] 1IntroductionTriaminotrinitrobenzene (TATB) is ah igh explosive thati s used in extremely safe ("insensitive") explosive formulations. Twoo ft he most widely used formulationsa re the plastic-bonded explosives( PBX) PBX 9502 (95 wt-% TATB, 5wt-% Kel-F8 00 polymer binder) and LX-17 (92.5 wt-% TATB, 7.5 wt-% Kel-F8 00). The propensity of these PBX formulationst or emain unreactiveu nder aw ide rangeo fp otential insults, including fragment impact and fire disaster scenarios, has led to their widespread applicationa cross many weapons systems [1].W hile TATB is advantageous in this regard, there are three sources of anisotropy in TATB crystals that complicate mechanisms of polycrystalr esponse. First,T ATBh as at riclinic crystal structure that is as ource of crystal anisotropy in its own right [2].S econd, each triclinicu nit cell of TATB possesses two TATB molecules each comprising am odified benzene ring.T he bonds within the modified benzene ring are sufficiently strong that the molecules remain flat and aligned in layersa long the (001)c rystallographic plane. The intermolecularb onds formed within these molecular layers of TATB are strong hydrogen bonds, while the bonds betweena djacent layers are of relatively weaker van der Waals type, leading to stronglya nisotropic deformation and thermal expansion behavior. Third, the geometric morphology of TATB crystals is also anisotropic;d epending on the synthesis route, the graphite-like platelet aspect ratioc an be somewhat mitigated or exaggerated, wheret he large flat surfacesc orrespond to crystallographic (001) planes [3,4].The thermal expansion of single-crystal TATB is entirely reversible. However,b ulk polycrystalline TATB exhibits an irreversible volumee xpansion upon thermal cycling while in Abstract:T riaminotrinitrobenzene (TATB) is ah ighly anisotropic molecular crystal used in several plastic-bonded explosive (PBX) formulations. TATB-based explosives exhibit irreversible volume expansion( "ratchet growth") whent hermally cycled. At heoretical understanding of the relationship betweena nisotropy of the crystal, crystal orientation distribution (texture) of polycrystalline aggregates, and the intergranular interactions leading to this irreversible growth is necessary to accurately develop physics-based predictive models for TATB-basedPBXs under variousthermal environments. In this work, TATB lattice parameters were measured using neutron diffraction duringt hermal cyclingo fl oose powder and ap ressedp ellet. The measured lattice parameters help clarify conflictingr eports in the literature as these new results are more consistent with one set of previous results than another.T he lattice parameters of pressed TATB were also measured as af unction of temperature, showings ome differences from the powder.T his data is used along with anisotropic single-crystal stiffness moduli reported in thel iterature to model the nominal stresses associated with intergranularc onstraints during thermal expansion. The texture of both specimens were characterized...