Self-diffusion coefficient in smoothed dissipative particle dynamics

Sergey Litvinov; Marco Ellero; Xiangyu Hu; Nikolaus A. Adams

doi:10.1063/1.3058437

Self-diffusion coefficient in smoothed dissipative particle dynamics

Sergey Litvinov, Marco Ellero, Xiangyu Hu, Nikolaus A. Adams

Chair of Aerodynamics and Fluid mechanics

Research output: Contribution to journal › Article › peer-review

35 Scopus citations

Abstract

Smoothed dissipative particle dynamics (SDPD) is a novel coarse grained method for the numerical simulation of complex fluids. It has considerable advantages over more traditional particle-based methods. In this paper we analyze the self-diffusion coefficient D of a SDPD solvent by using the strategy proposed by Groot and Warren [J. Chem. Phys. 107, 4423 (1997)]. An analytical expression for D in terms of the model parameters is developed and verified by numerical simulations.

Original language	English
Article number	021101
Journal	Journal of Chemical Physics
Volume	130
Issue number	2
DOIs	https://doi.org/10.1063/1.3058437
State	Published - 2009

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10.1063/1.3058437

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abstract = "Smoothed dissipative particle dynamics (SDPD) is a novel coarse grained method for the numerical simulation of complex fluids. It has considerable advantages over more traditional particle-based methods. In this paper we analyze the self-diffusion coefficient D of a SDPD solvent by using the strategy proposed by Groot and Warren [J. Chem. Phys. 107, 4423 (1997)]. An analytical expression for D in terms of the model parameters is developed and verified by numerical simulations.",

author = "Sergey Litvinov and Marco Ellero and Xiangyu Hu and Adams, {Nikolaus A.}",

note = "Funding Information: Financial support from the Deutsche Forschungsgemeinschaft (DFG) via Grant Nos. EL503/1-1 and AD186/8 is gratefully acknowledged. One of the authors (M.E.) would like to thank Pep Espa{\~n}ol for useful discussions and suggestions.",

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AU - Ellero, Marco

AU - Hu, Xiangyu

AU - Adams, Nikolaus A.

N1 - Funding Information: Financial support from the Deutsche Forschungsgemeinschaft (DFG) via Grant Nos. EL503/1-1 and AD186/8 is gratefully acknowledged. One of the authors (M.E.) would like to thank Pep Español for useful discussions and suggestions.

PY - 2009

Y1 - 2009

N2 - Smoothed dissipative particle dynamics (SDPD) is a novel coarse grained method for the numerical simulation of complex fluids. It has considerable advantages over more traditional particle-based methods. In this paper we analyze the self-diffusion coefficient D of a SDPD solvent by using the strategy proposed by Groot and Warren [J. Chem. Phys. 107, 4423 (1997)]. An analytical expression for D in terms of the model parameters is developed and verified by numerical simulations.

AB - Smoothed dissipative particle dynamics (SDPD) is a novel coarse grained method for the numerical simulation of complex fluids. It has considerable advantages over more traditional particle-based methods. In this paper we analyze the self-diffusion coefficient D of a SDPD solvent by using the strategy proposed by Groot and Warren [J. Chem. Phys. 107, 4423 (1997)]. An analytical expression for D in terms of the model parameters is developed and verified by numerical simulations.

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Self-diffusion coefficient in smoothed dissipative particle dynamics

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