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 :

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