Molecular Simulations of Dynamic Processes of Solid Explosives

Abstract

A variety of molecular dynamics simulations of energetic materials is presented, demonstrating the ability to predict structural and thermodynamic properties of these materials. The studies are also used to explore at an atomic level dynamic processes that might influence conversion of the material to products. These studies are presented to illustrate how information generated through molecular dynamics simulations can be used in the design, development and testing of energetic materials.

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Document Details

Document Type
Technical Report
Publication Date
Dec 01, 2004
Accession Number
ADA432102

Entities

People

  • Betsy M. Rice
  • Dan C. Sorescu
  • Donald L. Thompson
  • Paras M. Agrawal
  • Vinayak Kabadi

Organizations

  • United States Army Research Laboratory

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Chemical Reactions
  • Conversion
  • Dielectric Permittivity
  • Dynamics
  • Energetic Materials
  • Energy
  • Energy Transfer
  • Equations
  • Explosives
  • Kinetic Energy
  • Materials
  • Melting Point
  • Molecular Dynamics
  • Physical Properties
  • Simulations
  • Thermodynamic Properties
  • Transition Temperature

Readers

  • Agricultural Chemistry/Soil Science
  • Computational Fluid Dynamics (CFD)