Fundamental Study of Dense Fluid-Detonation

Abstract

Detonation wave profiles are obtained using a realistic dense fluid equation of state. These profiles are compared to the predictions of the simplified Zeldovich Von Neumann Doering model. Methods are developed for simulating the rapid uniaxial compression of solids suited to molecular dynamics simulation. the interatomic distribution function are formulated in solids, for comparison with atomistic simulations and use in kinetic reaction models. The next two years will concentrate on reaction initiation and intramolecular energy transfers in reacting molecules in the solid phase.

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Document Details

Document Type
Technical Report
Publication Date
Mar 31, 1983
Accession Number
ADA171936

Entities

People

  • William G. Hoover

Organizations

  • University of California

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Chemical Kinetics
  • Chemical Reactions
  • Computational Fluid Dynamics
  • Computational Science
  • Computer Simulations
  • Detonation Waves
  • Distribution Functions
  • Energy Transfer
  • Equations
  • Equations Of Motion
  • Fluid Dynamics
  • Mathematical Models
  • Mechanics
  • Molecular Dynamics
  • Molecules
  • Simulations
  • Thermal Conductivity

Fields of Study

  • Chemistry
  • Physics

Readers

  • Combustion Dynamics and Shock Wave Physics.
  • Materials Science and Engineering.
  • Quantum Chemistry