Self-consistent modeling of the influence of texture on thermal expansion in polycrystalline TATB

This paper presents a modeling approach for simulating the anisotropic thermal expansion of polycrystalline (1,3,5-triamino-2,4,6-trinitrobenzene) TATB-based explosives which utilizes microstructural information including the porosity, crystal aspect ratio and processing-induced texture. A self-consistent homogenization procedure is used to relate the macroscopic thermoelastic response to the constitutive behavior of single-crystal TATB. The model includes a representation of the grain aspect ratio, porosity and, crystallographic texture attributed to the consolidation process. A quantitative model is proposed for describing the evolution of the preferred orientation of basal planes in TATB during consolidation and an algorithm constructed for developing a discrete representation of the associated orientation distribution function. Analytical and numerical solutions using this model are shown to produce textures consistent with previous measurements and characterization for isostatically and uniaxially 'die-pressed' specimens. Predicted thermal strain versus temperature results for textured specimens are shown to be in agreement with corresponding experimental measurements. Results from these simulations are used to identify qualitative trends. Key conclusions from this work include the following. Both porosity and grain aspect ratio have an influence on the thermal expansion of polycrystal TATB, considering realistic material variability. The preferred orientation of the single-crystal TATB [001] poles within a polycrystal gives rise to pronounced anisotropy of the macroscopic thermal expansion. The extent of this preferred orientation depends on the magnitude of the deformation and, consequently, is expected to vary spatially throughout manufactured components much like the porosity. The modeling approach presented here has utility toward bringing spatially variable microstructural features into macroscale system engineering models.