Hydrostatic Compression of 2,4,6,8,10,12-hexanitrohexaaza-isowurtzitane (CL20) Co-Crystals

Report No. ARL-TR-7901
Authors: DeCarlos Taylor; Steve Hunter
Date/Pages: December 2016; 22 pages
Abstract: 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.
Distribution: Approved for public release
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Last Update / Reviewed: December 1, 2016