Theoretical Prediction of the Heats of Formation, Densities, and Relative Sensitivities for 5,7-dinitro-5,7-diaza-1,3-dioxabicyclo (3:3:0)octan-2-one

Abstract

Using the US Army Research Laboratorydeveloped series of scripts, written to dramatically simplify the computation of crystalline density and heat of formation, the performance properties for the 5,7-dinitro-5,7-diaza-1,3-dioxabicyclo(3:3:0)octan-2-one notional energetic material were evaluated. Additionally, a qualitative estimation of the impact sensitivity has been calculated. This report outlines the procedures used to generate this information, as well as Cheetah calculations using the predicted crystalline density and heat of formation.

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Document Details

Document Type
Technical Report
Publication Date
Apr 01, 2016
Accession Number
AD1007809

Entities

People

  • Edward F.C. Byrd

Organizations

  • United States Army Research Laboratory

Tags

Communities of Interest

  • Weapons Technologies

DTIC Thesaurus Topics

  • Buildings And Structures
  • Computations
  • Department Of Defense
  • Energetic Materials
  • Heat Of Formation
  • Information Operations
  • Materials
  • Materials Laboratories
  • Military Research
  • Molecules
  • Rdx
  • Sensitivity
  • Surface Warfare
  • Tnt
  • United States

Fields of Study

  • Chemistry

Readers

  • Computational Modeling and Simulation
  • Quantum Chemistry