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):

Report Date:

2016-12-01

Pagination or Media Count:

22.0

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.

Subject Categories:

  • Atomic and Molecular Physics and Spectroscopy

Distribution Statement:

APPROVED FOR PUBLIC RELEASE