Molecular Dynamics of Shocks in Crystals with Defects

Abstract

We examine, using computational molecular dynamics, shocks launched in two-dimensional crystals by a flying plate. The interaction of the shock with various lattice defects is observed, and is seen to create sites of rapidly growing, thermalized, hot fluid-like phases included within the crystal lattice. We hypothesize that these included fluid-like regions are the sites of the initial chemical reactions leading to detonation in energetic materials, and that crystallographic defects therefore control the sensitivity of single crystal high explosives to shock-initiation. The computations are carried out on the massively parallel Connection Machine using a parallelized version of the MLG algorithm.

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Document Details

Document Type
Technical Report
Publication Date
Jul 15, 1992
Accession Number
ADA253353

Entities

People

  • Elaine Oran
  • Jay Paul Boris
  • Lee Phillips
  • Robert S. Sinkovits

Organizations

  • United States Naval Research Laboratory

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Chemical Reactions
  • Crystal Lattices
  • Crystals
  • Detonations
  • Dynamics
  • Energetic Materials
  • Energy
  • Energy Transfer
  • Equations
  • Explosives
  • High Explosives
  • Kinetic Energy
  • Materials
  • Molecular Dynamics
  • Molecular Mechanics Methods
  • Simulations
  • Two Dimensional

Readers

  • Combustion Dynamics and Shock Wave Physics.
  • Computational Fluid Dynamics (CFD)
  • Materials Science and Engineering.