Computational Chemistry Toolkit for Energetic Materials Design

reportActive / Technical Report | Accession Number: ADA481672 | Open PDF

Abstract:

A computational chemistry toolkit is presented, demonstrating the ability to predict properties related to performance or hazard of these materials. The purpose of this toolkit is to allow the design and assessment of advanced energetic materials before investing in synthesis. Newly developed methods are presented to treat emerging exotic high-nitrogen systems considered as candidates for insensitive and environmentally-friendly advanced energetic materials.

Author(s):
Byrd, Edward F. ; Hurley, Margaret M. ; Rice, Betsy M.
Author Organization(s):
ARMY RESEARCH LAB ABERDEEN PROVING GROUND MD
Descriptive Note:
Conference paper
Supplementary Note:
See also ADM002075. Presented at the Army Science Conference (25th) held in Orlando, FL, on 27-30 Nov 2006. Prepared in cooperation with Office of Naval Research (ONR). The original document contains color images.
Pagination:
0007

Security Markings

DOCUMENT & CONTEXTUAL SUMMARY

Distribution:
Approved For Public Release
Distribution Statement:
Approved For Public Release; Distribution Is Unlimited.

RECORD

Collection: TR
Identifying Numbers
Monitor Series:
ARL/APG
 Subject Terms
Joint Capability Areas:
JCA_3.2_Engagement; JCA_3_Force Application; JCA_3.2.1_Kinetic Means; JCA_5_Command and Control; JCA_1.2.7_Experimentation; JCA_5.3_Planning; JCA_1_Force Support; JCA_6_Net Centric; JCA_1.2_Force Preparation; JCA_8_Building Partnerships
Modernization Areas:
Quantum Science and Computing
Communities of Interest:
Energy and Power Technologies
Descriptor(s):
*ENERGETIC PROPERTIES, *COMPUTATIONAL CHEMISTRY, *HAZARDOUS MATERIALS, *SOFTWARE TOOLS, INSENSITIVE EXPLOSIVES, NITROGEN, SYNTHESIS, SYMPOSIA
Field(s)/Group(s):
Physical Chemistry, Numerical Mathematics
Keyword(s):
*ENERGETIC MATERIALS
Report Date:
2006 Nov 01
Creation Date:
2008 Jun 11