Direct Simulation Monte Carlo Application of the Three Dimensional Forced Harmonic Oscillator Model

Abstract

An implementation of the three-dimensional forced harmonic oscillator model of vibration translation energy transfer in atom-diatom and diatom-diatom collisions is proposed. The implementation employs precalculated lookup tables for transition probabilities and is suitable for the direct simulation Monte Carlo method. It takes into account the microscopic reversibility between the excitation and deexcitation processes, and it satisfies the detailed balance requirement at equilibrium. The implementation is verified for oxygen and nitrogen thermal heat baths and validated for aftershock relaxation of oxygen in argon. Comparison with the one-dimensional forced harmonic oscillator model shows large differences in macroparameters for high-temperature bath relaxation and moderate-to-large differences in realistic oxygen shock conditions.

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Document Details

Document Type
Technical Report
Publication Date
Dec 07, 2017
Accession Number
AD1046037

Entities

People

  • Igor V. Adamovich
  • Ingrid J. Wysong
  • Sergey F. Gimelshein

Organizations

  • Air Force Research Laboratory

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Accuracy
  • Air Force
  • Air Force Research Laboratories
  • Diatomic Molecules
  • Energy
  • Energy Gaps
  • Energy Transfer
  • Experimental Data
  • Gas Flow
  • Heat Transfer
  • High Temperature
  • Monte Carlo Method
  • Relaxation Time
  • Scattering
  • Simulations
  • Three Dimensional
  • Vibrational Relaxation

Fields of Study

  • Physics

Readers

  • Computational Modeling and Simulation
  • Molecular Photonics/Laser Physics
  • Structural Dynamics.