Accession Number:

ADA589068

Title:

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

Descriptive Note:

Final rept. May 2010-Feb 2013

Corporate Author:

ARMY RESEARCH LAB ABERDEEN PROVING GROUND MD WEAPONS AND MATERIALS RESEARCH DIRECTORATE

Personal Author(s):

Report Date:

2013-09-01

Pagination or Media Count:

34.0

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.

Subject Categories:

  • Numerical Mathematics

Distribution Statement:

APPROVED FOR PUBLIC RELEASE