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

Abstract

A numerical integration scheme based upon the Shardlow-splitting algorithm is presented for the constant-temperature, constant-pressure Dissipative Particle Dynamics (DPD-P) method, where both a deterministic (Hoover) and stochastic (Langevin) barostat are considered under both uniform and nonuniform dilation. The approaches are verified using both a standard DPD fluid model and a coarse-grain solid model. 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
ADA589068

Entities

People

  • John K. Brennan
  • Martin Lísal

Organizations

  • United States Army Research Laboratory

Tags

Communities of Interest

  • Weapons Technologies

DTIC Thesaurus Topics

  • Algorithms
  • Differential Equations
  • Diffusion Coefficient
  • Dissipation
  • Dynamics
  • Equations
  • Equations Of Motion
  • Fokker Planck Equations
  • Military Research
  • Molecular Dynamics
  • Nonuniform
  • Numerical Integration
  • Particles
  • Probability
  • Simulations
  • Splitting
  • Standards

Fields of Study

  • Physics

Readers

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