Accession Number:

ADA148017

Title:

Applications of Molecular Dynamics to the Study of Shock-Induced Chemistry.

Descriptive Note:

Annual project rept.,

Corporate Author:

NAVAL RESEARCH LAB WASHINGTON DC

Personal Author(s):

Report Date:

1984-10-01

Pagination or Media Count:

12.0

Abstract:

The goal of this program is to develop and apply molecular dynamics techniques to problems in shock-induced chemistry in reactive and non-reactive materials. The three major thrusts of the work proposed are 1 To develop phenomenological submodels of molecular interactions that can be used in full molecular dynamics calculations. In particular, to develop models which include known quantum mechanical properties of atoms and molecules 2 To develop a model for doing many particle interactions on a vector computer and 3 To apply the resulting numerical models to problems of shocks in condensed phase materials.

Subject Categories:

  • Atomic and Molecular Physics and Spectroscopy
  • Quantum Theory and Relativity

Distribution Statement:

APPROVED FOR PUBLIC RELEASE