Electron-Molecule Collisions and UV Signatures in Flowfields

Abstract

The objective of our work is to harness the computational power of large parallel computers to obtain electron collision cross sections needed in modelling the chemical and physical properties of flowfields over hardbodies. Such electron collision data are very fragmentary, often not available, and difficult to measure. We have developed a scalable implementation of our formulation of electron-molecule collisions. With these scalable algorithms we routinely achieve aggregate performance in the tens of gigaflop range on available computer system. This capability has allowed us to carry out sophisticated first-principles calculations of electron collisions with species such as N2, O2, CO, NO, and H2O.

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Document Details

Document Type
Technical Report
Publication Date
Oct 01, 2000
Accession Number
ADA384182

Entities

People

  • Vincent Mckoy

Organizations

  • California Institute of Technology

Tags

Communities of Interest

  • Energy and Power Technologies
  • Materials and Manufacturing Processes
  • Weapons Technologies

DTIC Thesaurus Topics

  • Abstracts
  • Algorithms
  • Carbon Monoxide
  • Chemistry
  • Collisions
  • Computational Science
  • Computers
  • Dielectric Gases
  • Electron Scattering
  • Electronic Structure Theory
  • Excitation
  • First Principles Calculations
  • Jet Propulsion
  • Molecules
  • Physical Properties
  • Quantum Properties
  • Scientists

Fields of Study

  • Physics

Readers

  • Computational Fluid Dynamics (CFD)
  • Molecular Photonics/Laser Physics
  • Parallel and Distributed Computing.

Technology Areas

  • Microelectronics