Literature DB >> 14683074

Dissipative particle dynamics: a useful thermostat for equilibrium and nonequilibrium molecular dynamics simulations.

Thomas Soddemann1, Burkhard Dünweg, Kurt Kremer.   

Abstract

We discuss dissipative particle dynamics as a thermostat to molecular dynamics, and highlight some of its virtues: (i) universal applicability irrespective of the interatomic potential; (ii) correct and unscreened reproduction of hydrodynamic correlations; (iii) stabilization of the numerical integration of the equations of motion; and (iv) the avoidance of a profile bias in boundary-driven nonequilibrium simulations of shear flow. Numerical results on a repulsive Lennard-Jones fluid illustrate our arguments.

Year:  2003        PMID: 14683074     DOI: 10.1103/PhysRevE.68.046702

Source DB:  PubMed          Journal:  Phys Rev E Stat Nonlin Soft Matter Phys        ISSN: 1539-3755


  26 in total

1.  Shear-induced undulation of smectic-A: Molecular Dynamics simulations vs. analytical theory.

Authors:  Th Soddemann; G K Auernhammer; H Guo; B Dünweg; K Kremer
Journal:  Eur Phys J E Soft Matter       Date:  2004-02       Impact factor: 1.890

2.  Study of critical dynamics in fluids via molecular dynamics in canonical ensemble.

Authors:  Sutapa Roy; Subir K Das
Journal:  Eur Phys J E Soft Matter       Date:  2015-12-23       Impact factor: 1.890

3.  Efficient Schmidt number scaling in dissipative particle dynamics.

Authors:  Ryan C Krafnick; Angel E García
Journal:  J Chem Phys       Date:  2015-12-28       Impact factor: 3.488

4.  Strong influence of periodic boundary conditions on lateral diffusion in lipid bilayer membranes.

Authors:  Brian A Camley; Michael G Lerner; Richard W Pastor; Frank L H Brown
Journal:  J Chem Phys       Date:  2015-12-28       Impact factor: 3.488

5.  Translocation of nanoparticles through a polymer brush-modified nanochannel.

Authors:  Qianqian Cao; Chuncheng Zuo; Lujuan Li; Yingjie Li; Yang Yang
Journal:  Biomicrofluidics       Date:  2012-07-13       Impact factor: 2.800

6.  Polymer brushes with nanoinclusions under shear: A molecular dynamics investigation.

Authors:  A Milchev; D I Dimitrov; K Binder
Journal:  Biomicrofluidics       Date:  2010-09-30       Impact factor: 2.800

7.  Hybrid molecular-continuum simulations using smoothed dissipative particle dynamics.

Authors:  Nikolai D Petsev; L Gary Leal; M Scott Shell
Journal:  J Chem Phys       Date:  2015-01-28       Impact factor: 3.488

Review 8.  SWINGER: a clustering algorithm for concurrent coupling of atomistic and supramolecular liquids.

Authors:  Julija Zavadlav; Siewert J Marrink; Matej Praprotnik
Journal:  Interface Focus       Date:  2019-04-19       Impact factor: 3.906

9.  AC-field-induced polarization for uncharged colloids in salt solution: a dissipative particle dynamics simulation.

Authors:  Jiajia Zhou; Friederike Schmid
Journal:  Eur Phys J E Soft Matter       Date:  2013-04-15       Impact factor: 1.890

10.  Investigation of mechanisms of viscoelastic behavior of collagen molecule.

Authors:  Hossein Ghodsi; Kurosh Darvish
Journal:  J Mech Behav Biomed Mater       Date:  2015-07-26
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