High-Pressure, High-Temperature Single-Crystal X-ray Diffraction Measurements of Energetic Materials

Understanding the properties (e.g., equation of state, EOS) of unreacted energetic materials at high-pressure and temperature (HPHT) conditions plays an important role in understanding their behavior under shock conditions. Specifically, determining the HPHT EOS and crystal structure of these materials is important due to the potential existence of HPHT polymorphs, pressure-induced amorphization, and the need of high-fidelity EOS parameters for the unreacted materials for continuum based simulations. Studies measuring the room-temperature EOS of energetic materials are numerous, but few studies probe the unreacted EOS at HPHT conditions. Additionally, due to the low symmetry phases of some of these materials, single-crystal X-ray diffraction (SC-XRD) is required to provide EOS parameters. As such, we have performed SC-XRD in a resistively heated DAC up to 300 °C and 30 GPa to determine the HPHT EOS of these materials.