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Atomistic Studies Of Shock-Wave And Detonation Phenomena In Energetic Materials, Mikalai Budzevich

USF Tampa Graduate Theses and Dissertations

The major goal of this PhD project is to investigate the fundamental properties of energetic materials, including their atomic and electronic structures, as well as mechanical properties, and relate these to the fundamental mechanisms of shock wave and detonation propagation using state-of-the-art simulation methods. The first part of this PhD project was aimed at the investigation of static properties of energetic materials (EMs) with specific focus on 1,3,5-triamino-2,4,6-trinitrobenzene (TATB). The major goal was to calculate the isotropic and anisotropic equations of state for TATB within a range of compressions not accessible to experiment, and to make predictions of anisotropic sensitivity …