Overview and progresses of first-principles computational studies on Polymeric Nitrogen as an energetic material

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Authors
  1. Song, Y.
Corporate Authors
Defence R&D Canada - Valcartier, Valcartier QUE (CAN);Q-Science Company, Brossard QC (CAN)
Abstract
The synthesis and formulations of new energetic compounds for military purposes are hazardous, time and money consuming. The most relevant properties of energetic materials to be determined are the heats of formation and densities. A fast and precise evaluation by modeling of these important properties, would largely simplify the design process of these materials. This work mainly reports a general review on the first-principles computational methods and studies done on pure polymeric nitrogen and polymeric nanostructured polymeric and polynitrogen carbon nanotube systems considered as high energetic density materials.

Il y a un résumé en français ici.

Keywords
Energetic materials
Report Number
DRDC-VALCARTIER-CR-2008-018 — Contractor Report
Date of publication
01 Oct 2008
Number of Pages
51
DSTKIM No
CA031482
CANDIS No
530386
Format(s):
Hardcopy;Document Image stored on Optical Disk

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