Accession Number:

ADA588147

Title:

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

Descriptive Note:

Final rept. Apr 2012-Jan 2013

Corporate Author:

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

Report Date:

2013-09-01

Pagination or Media Count:

32.0

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.

Subject Categories:

  • Numerical Mathematics

Distribution Statement:

APPROVED FOR PUBLIC RELEASE