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- ARL-TR-7901 - Hydrostatic Compression of 2,4,6,8,10,12-hexanitrohexaaza-isowurtzitane...
Hydrostatic Compression of 2,4,6,8,10,12-hexanitrohexaaza-isowurtzitane (CL20) Co-Crystals
|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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