Update to "Computational Aspects of Nitrogen-Rich HEDMs"

Report No. ARL-TR-7656
Authors: Betsy M Rice; Edward FC Byrd; William D Mattson
Date/Pages: April 2016; 20 pages
Abstract: Further computational studies and improved methods leading to prediction of properties and behavior of high-nitrogen materials continue as both computational capabilities and methods advance. As detailed in the 2007 book chapter titled "Computational Aspects of Nitrogen-Rich HEDMs" [Rice BM, Byrd EFC, Mattson WD. Struct Bond. 2007;125:153–194], a multitude of models were developed to predict key performance properties of energetic materials that include numerous high-nitrogen systems based on atomistic quantum mechanical simulations. In this report we will provide updates to these developments. Additionally, a number of theoretical studies have since been undertaken to explore the structure and behavior of novel condensed phases of polymeric nitrogen. This work shall outline advances in the field since its first publication in 2007.
Distribution: Approved for public release
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Last Update / Reviewed: April 1, 2016