Molecular Dynamics Studies of Energy Transfer Processes in Crystal System,

Abstract

Computer molecular dynamics studies have been carried out on the problem of attaining a fundamental understanding of shock-induced initiation of energetic materials. The studies focus on an important specific facet of this problem, namely, the energy transfer processes in crystal systems, particularly in molecular lattices. Code development for the CRAY computer during the preceding year is reviewed and the shock studies that were carried out are listed. Plans for additional studies of the underlying mechanisms of intermolecular-intramolecular energy transfer and the dynamics of intramolecular energy exchange in shock-loaded systems are presented. Keywords: Shock front; Shock wave; Explosives; Shock structure.

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Document Details

Document Type
Technical Report
Publication Date
Dec 17, 1985
Accession Number
ADA163132

Entities

People

  • Arnold M. Karo
  • Franklin E. Walker

Organizations

  • Lawrence Livermore National Laboratory

Tags

DTIC Thesaurus Topics

  • Chemical Reactions
  • Chemistry
  • Computer Programs
  • Computers
  • Dynamics
  • Energetic Materials
  • Energy
  • Energy Transfer
  • Frequency
  • Frequency Domain
  • Materials
  • Molecular Dynamics
  • Simulations
  • Time Intervals
  • Two Dimensional
  • United States
  • United States Government

Fields of Study

  • Chemistry

Readers

  • Combustion Dynamics and Shock Wave Physics.
  • Quantum Chemistry
  • Systems Analysis and Design