The irreversible thermal expansion of an energetic material

Abstract

The works deals with a macroscopically isotropic energetic material based on triamino-trinitrobenzene (TATB) crystals bonded with a small volume fraction of a thermoplastic polymer. This material is shown experimentally to display an irreversible thermal expansion behavior characterized by dilatancy and variations of its thermal expansion coefficient when heated or cooled outside a narrow reversibility temperature range. The analysis of cooling results suggests the existence of residual stresses in the initial state, attributed to the manufacturing process. Microstructure-level FFT computations including the very strong anisotropic thermoelastic TATB crystal response and temperature-dependent binder plasticity, show that strong internal stresses develop in the disoriented crystals under thermal load, either heating or cooling. Upon cooling, binder plastic yielding in hindered, thus promoting essentially brittle microcracking, while it is favored upon heating. Despite its low volume fraction, the role of the binder is essential, its plastic yielding causing stress redistribution and residual stresses upon cooling back to ambient.

Elastic Anisotropy of 1,3,5‐Triamino‐2,4,6‐Trinitrobenzene as a Function of Temperature and Pressure: A Molecular Dynamics Study

“…In the present study, we focus on the temperature and pressure dependence of TATB crystal structure and elastic properties, which constitute the foundation for future mesoscopic modelling at the grain-scale and above, aiming at studying the mechanical behavior of polycrystalline samples under extreme conditions such as shock loading, high strain-rate deformation, or thermal aggression [3,[24][25][26][27][28][29]. Computing crystal structure and elastic constants of non-reacted and crystalline TATB over a wider range of temperature and pressure is then of primary importance.…”

Elastic anisotropy of 1,3,5-Triamino-2,4,6-Trinitrobenzene as a function of temperature and pressure: A Molecular Dynamics study

“…In the present study, we focus on the temperature and pressure dependence of TATB crystal structure and elastic properties, which constitute the foundation for future mesoscopic modeling at the grain-scale and above, aiming at studying the mechanical behavior of polycrystalline samples under extreme conditions such as shock loading, high strain-rate deformation or thermal aggression [3,24,25,26,27,28,29]. Computing crystal structure and elastic constants of non-reacted and crystalline TATB over a wider range of temperature and pressure is then of primary importance.…”