Bulletin of the American Physical Society
22nd Biennial Conference of the APS Topical Group on Shock Compression of Condensed Matter
Volume 67, Number 8
Monday–Friday, July 11–15, 2022; Anaheim, California
Session V05: Structure, Performance, and Sensitivity Relationships
2:00 PM–3:30 PM,
Thursday, July 14, 2022
Anaheim Marriott
Room: Platinum 3
Chair: Michael Armstrong, Lawrence Livermore Natl Lab
Abstract: V05.00005 : A Bond Centered Approach to Energetic Performance and Sensitivity*
3:00 PM–3:15 PM
Presenter:
Jack Davis
Authors:
Jack Davis
Frank Marrs
(Los Alamos National Laboratory)
Alexandra Burch
(Los Alamos National Laboratory)
Nicholas Lease
(Los Alamos National Laboratory)
Suyana Ferreira
(Los Alamos National Laboratory)
Marc J Cawkwell
(Los Alamos National Laboratory)
Virginia W Manner
(Los Alamos Natl Lab)
Collaborations:
Q-5, T-1, CCS-6
utilized to establish safety characteristics for new explosives. Despite decades of research
investigating handling sensitivity properties for energetics, it is still difficult to determine what
molecular properties are most critical. In this presentation we discuss trends in impact
sensitivity will be discussed with respect to energetic functional groups and overall molecular
bonding. Specifically, a series of over 230 nitrate esters and alkyl nitro energetics were analyzed
for the atomic connectivity of the energetic functional group. Primary nitrate esters were found
to be less sensitive than secondary, likely a reflection of the weaker trigger linkage in secondary
carbons. This trend is less pronounced in C-Nitro energetics, owing to the strong C-NO2 linkage.
To examine the impact of non-energetic functional groups, a new parameter encompassing all
of a molecule’s bonds, the average bond strength, was calculated for 50 energetics of all
classes. A strong trend between increasing average bond strength and decreasing sensitivity is
observed. Finally, measured sensitivity data is compared to the specific heat of explosion, Q, to
identify outliers in the overall trends of increasing sensitivity with increasing performance.
*LANL LDRD
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