Materials Modeling for Rocket Propulsion

Abstract

OUTLINE: 1. Introduction; 2. Technical challenges in propellant design; 3. Modeling and Simulation (M&S) techniques & tools: a) Quantum chemistry; b) Molecular dynamics; c) QSPR; d) High Performance Computing (HPC); 4. Examples: a) Identification of suitable target compounds; b) Determination of viable intermediates; c) Confirmation of successful synthesis; 5. Summary and Conclusions.

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Document Details

Document Type
Technical Report
Publication Date
Apr 01, 2005
Accession Number
ADA435038

Entities

People

  • Jerry A. Boatz

Organizations

  • Air Force Research Laboratory

Tags

Communities of Interest

  • Weapons Technologies

DTIC Thesaurus Topics

  • Air Force Research Laboratories
  • Chemistry
  • Computational Chemistry Methods
  • Computations
  • Energetic Materials
  • Energy
  • Energy Transfer
  • High Performance Computing
  • Ionic Liquids
  • Materials
  • Molecular Dynamics
  • Phase Transformations
  • Physical Properties
  • Quantum Chemistry
  • Rocket Propulsion
  • Spectra
  • Vibrational Spectra

Fields of Study

  • Chemistry

Readers

  • Distributed Systems and Data Platform Development
  • Organic Chemistry
  • Systems Analysis and Design

Technology Areas

  • Quantum Computing