Dissipative Particle Dynamics at Isothermal Conditions Using Shardlow-Like Splitting Algorithms

Abstract

A numerical integration scheme based upon the Shardlow-splitting algorithm (SSA) is presented for the constant-temperature dissipative particle dynamics method. The SSA is formulated for both a velocity-Verlet scheme and an implicit scheme, where the velocity-Verlet scheme consistently performed better. The original SSA formulated for systems of equal-mass particles has been extended to systems of unequal-mass particles. For completeness, the Fokker-Planck equation and derivation of the fluctuation-dissipation theorem are included.

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Document Details

Document Type
Technical Report
Publication Date
Sep 01, 2013
Accession Number
ADA588147

Entities

People

  • J. E. Purkinje
  • John K. Brennan
  • Martin Lísal

Organizations

  • United States Army Research Laboratory

Tags

Communities of Interest

  • Weapons Technologies

DTIC Thesaurus Topics

  • Algorithms
  • Application Software
  • Computer Simulations
  • Differential Equations
  • Dissipation
  • Dynamics
  • Equations
  • Equations Of Motion
  • Fokker Planck Equations
  • Insensitive Explosives
  • Military Research
  • Molecular Dynamics
  • Numerical Integration
  • Particles
  • Probability
  • Simulations
  • Splitting

Fields of Study

  • Physics

Readers

  • Calculus or Mathematical Analysis
  • Computational Fluid Dynamics (CFD)