Properties of Three-Dimensional Energetic Solids and Molecular Crystals.

Abstract

The ultimate goal is to provide a comprehensive atomistic level understanding of rapid combustion or explosion of solid phase energetic materials. This understanding is to include ultimately the question of initiation of the rapid oxidation, the sustaining of the rapid oxidation and its ultimate quenching. In addition atomistic factors related to stability, ageing and reliability are to be investigated. In order to facilitate this initial phase of the study prototype materials have ben selected for study. These prototypes are CH4 and and NO. The initial process has been of two types. Specific results for the CH4 system and development of condensed matter physics techniques in ways optimally appropriate for molecular solids. The initial choice of CH4 was based upon two factors. The first and dominant factor is the availability of excellent data on the structure and electronic spectra of CH4 in both gas and condensed phases. The second factor is that both gas and condensed phases of CH4 have high symmetry of simple types. The initial studies on CH4 are attempts to characterize the ground and low lying excited states of CH4 in vacuum, bulk solid and at a solid surface.

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Document Details

Document Type
Technical Report
Publication Date
Feb 01, 1982
Accession Number
ADA111081

Entities

People

  • A. Barry Kunz
  • Asim K. Ray
  • D. R. Beck
  • R. S. Weidman
  • T. O. Woodruff

Organizations

  • Michigan Technological University

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Condensed Matter Physics
  • Energetic Materials
  • Energy Bands
  • Excitation
  • Geometry
  • Ground State
  • Hartree Fock Approximation
  • Ionization Potentials
  • Materials
  • Michigan
  • Military Research
  • Perturbation Theory
  • Phase
  • Physics
  • Solid Phases
  • Three Dimensional
  • Universities

Fields of Study

  • Physics

Readers

  • Quantum Chemistry
  • Systems Analysis and Design
  • Theoretical Analysis.

Technology Areas

  • Microelectronics