Hydrostatic Compression of 2,4,6,8,10,12 hexanitrohexaaza isowurtzitane (CL20) Co Crystals
US Army Research Laboratory Aberdeen Proving Ground United States
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The pressure response of co-crystals of 2,4,6,8,10,12-hexanitrohexaaza-isowurtzitane CL20 has been determined using quantum molecular dynamics simulations. Co-crystals of CL20 with guest molecules including 2,4,6-trinitrotoluene TNT, 1,3-dinitrobenzene DNB, benzotrifuroxan BTF, and 1,3,5,7-tetranitro-1,3,5,7-tetrazacyclooctane HMX were studied and for each system the high pressure to 50 GPa unit cell parameters, bulk modulus, and estimates of the shock, particle, and sound velocities are provided.
- Atomic and Molecular Physics and Spectroscopy