Elucidating the Phenomena That Govern Reaction Dynamics in Assembled Nanostructured Energetic Materials at Scales Relevant to Munitions and Propellants
Abstract
The overall objective of this LRIR is to make, model and measure materials that can be safely assessed for high energy density and fast reaction rates (> 1km/s). The overarching goal is to synthesize, characterize and more accurately predict potential candidate materials such as energetic core shell nanoclusters, with energy densities exceeding that of organic explosives, to determine their role in existing and future Air Force munitions and propellants. Regarding specifically the theoretical/computational component of this LRIR, the primary objectives are to predict key properties of core-shell-nanoclusters, including, for example, intrinsic stabilities, fundamental nature of the interactions between core-shell layers, and kinetic stabilities of oxidizer-coated-nanoclusters (i.e, nano-thermites.) Due to the frequent use of aluminum in explosive and propellants, core-shell nanoclusters containing aluminum are of primary interest. Specific computational efforts described herein include (a) structure and energetics of Al core-shell nanoclusters (b) the possibility of inversion of such core-shell species and (c) the oxidation of aluminum nanoclusters. In addition, a series of calculations designed to investigate the fundamental limits of chemical energy storage based upon chemical bond lengths and bond energies is summarized.
Document Details
- Document Type
- Technical Report
- Publication Date
- Dec 12, 2019
- Accession Number
- AD1106564
Entities
People
- Jerry A. Boatz
Organizations
- Air Force Research Laboratory