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

Report No. ARL-TR-6583
Authors: John K. Brennan ; Martin Lísal
Date/Pages: September 2013; 32 pages
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.
Distribution: Approved for public release
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Last Update / Reviewed: September 1, 2013