Dissipative particle dynamics

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Dissipative particle dynamics (DPD) is a technique originally developed for simulating hydrodynamic phenomena. In particular, it targets fluctuating hydrodynamics, a mesoscopic regime in which fluctuations play a role. One of its main uses is a thermostat for molecular dynamics simulations, since the DPD interactions have the desirable property of momentum conservation (both linear, and angular). In one of its most recent formulations it makes intense use of Voronoi tessellations .

References

  1. P. J. Hoogerbrugge and J. M. V. A. Koelman "Simulating Microscopic Hydrodynamic Phenomena with Dissipative Particle Dynamics", Europhysics Letters 19 pp. 155-160 (1992)
  2. P. Español and P. Warren "Statistical Mechanics of Dissipative Particle Dynamics", Europhysics Letters 30 pp. 191-196 (1995)
  3. Eirik G. Flekkøy and Peter V. Coveney "From Molecular Dynamics to Dissipative Particle Dynamics", Physical Review Letters 83 pp. 1775 - 1778 (1999)
  4. Eirik G. Flekkøy, Peter V. Coveney, and Gianni De Fabritiis "Foundations of dissipative particle dynamics", Physical Review E 62 pp. 2140 - 2157 (2000)