Accession Number : AD1022936


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


Descriptive Note : Technical Report


Corporate Author : US Army Research Laboratory Aberdeen Proving Ground United States


Personal Author(s) : Taylor,DeCarlos ; Hunter, Steve


Full Text : https://apps.dtic.mil/dtic/tr/fulltext/u2/1022936.pdf


Report Date : 01 Dec 2016


Pagination or Media Count : 22


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.


Descriptors :   energetic materials , compression , Molecular dynamics , computational modeling


Subject Categories : Atomic and Molecular Physics and Spectroscopy


Distribution Statement : APPROVED FOR PUBLIC RELEASE