Literature DB >> 11138113

Towards better integrators for dissipative particle dynamics simulations

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Abstract

Coarse-grained models that preserve hydrodynamics provide a natural approach to study collective properties of soft-matter systems. Here, we demonstrate that commonly used integration schemes in dissipative particle dynamics give rise to pronounced artifacts in physical quantities such as the compressibility and the diffusion coefficient. We assess the quality of these integration schemes, including variants based on a recently suggested self-consistent approach, and examine their relative performance. Implications of integrator-induced effects are discussed.

Year:  2000        PMID: 11138113     DOI: 10.1103/physreve.62.r7611

Source DB:  PubMed          Journal:  Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics        ISSN: 1063-651X


  7 in total

1.  Computer Modeling of an Ion Trap Mass Analyzer, Part I: Low Pressure Regime.

Authors:  Dragan Nikolić; Stojan M Madzunkov; Murray R Darrach
Journal:  J Am Soc Mass Spectrom       Date:  2015-08-19       Impact factor: 3.109

2.  A mesoscopic bridging scale method for fluids and coupling dissipative particle dynamics with continuum finite element method.

Authors:  Milos Kojic; Nenad Filipovic; Akira Tsuda
Journal:  Comput Methods Appl Mech Eng       Date:  2013-01-15       Impact factor: 6.756

3.  A Multiple Time Stepping Algorithm for Efficient Multiscale Modeling of Platelets Flowing in Blood Plasma.

Authors:  Peng Zhang; Na Zhang; Yuefan Deng; Danny Bluestein
Journal:  J Comput Phys       Date:  2015-03-01       Impact factor: 3.553

4.  Kinetics of domain registration in multicomponent lipid bilayer membranes.

Authors:  Kan Sornbundit; Charin Modchang; Wannapong Triampo; Darapond Triampo; Narin Nuttavut; P B Sunil Kumar; Mohamed Laradji
Journal:  Soft Matter       Date:  2014-10-07       Impact factor: 3.679

5.  Molecular dynamics simulations of lipid bilayers: major artifacts due to truncating electrostatic interactions.

Authors:  M Patra; M Karttunen; M T Hyvönen; E Falck; P Lindqvist; I Vattulainen
Journal:  Biophys J       Date:  2003-06       Impact factor: 4.033

6.  Jdpd: an open java simulation kernel for molecular fragment dissipative particle dynamics.

Authors:  Karina van den Broek; Hubert Kuhn; Achim Zielesny
Journal:  J Cheminform       Date:  2018-05-21       Impact factor: 5.514

7.  On the effect of the thermostat in non-equilibrium molecular dynamics simulations.

Authors:  José Ruiz-Franco; Lorenzo Rovigatti; Emanuela Zaccarelli
Journal:  Eur Phys J E Soft Matter       Date:  2018-07-02       Impact factor: 1.890

  7 in total

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