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

Report No. ARL-TR-6582
Authors: John K. Brennan; Martin Lísal
Date/Pages: September 2013; 32 pages
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.
Distribution: Approved for public release
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Last Update / Reviewed: September 1, 2013