CoarseGraining and Scaling in Dissipative Particle Dynamics.pdfVIP

Coarse-Graining and Scaling in Dissipative Particle Dynamics Rudolf M. Fuchslin,¨ 1 Harold Fellermann,2, 3 Anders Eriksson,4 and Hans-Joachim Ziock2 1Ruhr Universit¨at Bochum, Biomolecular Information Processing (BioMIP), c/o BMZ, Otto-Hahnstr. 15, D-44227 Dortmund, Germany 2 Self-Organizing Systems, EES-6 MS-D462, Los Alamos National Laboratory, Los Alamos 87545 NM, USA 3 ICREA-Complex Systems Lab, Universitat Pompeu Fabra (GRIB), Dr Aiguader 88, 08003 Barcelona, Spain 7 4 Department of Energy and Environment, Chalmers University of Technology, SE-41296 G¨oteborg, Sweden 0 0 Dissipative particle dynamics (DPD) is now a well-established method for simulating soft matter 2 systems. However, its applicability was recently questioned because some investigations showed an upper coarse-graining limit that would prevent the applicability of the method to the whole meso- g u scopic range. This article aims to reestablish DPD as a truly scale-free method by analyzing the problems reported by other authors and by presenting a scaling scheme that allows one to gauge A a DPD-simulation to any desired length scale. 0 Keywords: mesoscopic simulation, dissipative particle dynamics, scaling, renormalization, calibration 1 ] 3 t I. INTRODUCTION do not depend on the level of coarse-graining. In a f