Document Detail

A comparative study between dissipative particle dynamics and molecular dynamics for simple- and complex-geometry flows.
MedLine Citation:
PMID:  16178589     Owner:  NLM     Status:  PubMed-not-MEDLINE    
The purpose of this study is to compare the results from molecular-dynamics and dissipative particle dynamics (DPD) simulations of Lennard-Jones (LJ) fluid and determine the quantitative effects of DPD coarse graining on flow parameters. We illustrate how to select the conservative force coefficient, the cut-off radius, and the DPD time scale in order to simulate a LJ fluid. To show the effects of coarse graining and establish accuracy in the DPD simulations, we conduct equilibrium simulations, Couette flow simulations, Poiseuille flow simulations, and simulations of flow around a periodic array of square cylinders. For the last flow problem, additional comparisons are performed against continuum simulations based on the spectral/hp element method.
Eric E Keaveny; Igor V Pivkin; Martin Maxey; George Em Karniadakis
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Publication Detail:
Type:  Journal Article    
Journal Detail:
Title:  The Journal of chemical physics     Volume:  123     ISSN:  0021-9606     ISO Abbreviation:  J Chem Phys     Publication Date:  2005 Sep 
Date Detail:
Created Date:  2005-09-23     Completed Date:  2007-07-19     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  0375360     Medline TA:  J Chem Phys     Country:  United States    
Other Details:
Languages:  eng     Pagination:  104107     Citation Subset:  -    
Division of Applied Mathematics, Brown University, Providence, Rhode Island 02912, USA.
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