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The Equilibrium Of A Velocity-Verlet Type Algorithm For Dpd With Finite Time Steps

Author

Listed:
  • J. B. GIBSON

    (Department of Mathematical Sciences, University of Liverpool, Liverpool L69 3BX, U.K.)

  • K. CHEN

    (Department of Mathematical Sciences, University of Liverpool, Liverpool L69 3BX, U.K.)

  • S. CHYNOWETH

    (Shell Global Solutions, Thornton, P.O. Box 1, Chester CH1 3SH, U.K.)

Abstract

Dissipative particle dynamics (DPD) originated as a tool for performing fluid dynamics simulations of complex fluids and amongst other things has been used to simulate dilute polymer solutions. The technique employed an Euler time-stepping technique up until recently, when a velocity-Verlet type algorithm was proposed. This paper presents a more accurate velocity-Verlet and analyses the equilibrium properties of this new technique for finite time-steps. An expression for the temperature in terms of the basic DPD parameters is derived for this scheme.

Suggested Citation

  • J. B. Gibson & K. Chen & S. Chynoweth, 1999. "The Equilibrium Of A Velocity-Verlet Type Algorithm For Dpd With Finite Time Steps," International Journal of Modern Physics C (IJMPC), World Scientific Publishing Co. Pte. Ltd., vol. 10(01), pages 241-261.
    • Handle: RePEc:wsi:ijmpcx:v:10:y:1999:i:01:n:s0129183199000176
    DOI: 10.1142/S0129183199000176
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    Cited by:

    1. Peng, Linyu & Arai, Noriyoshi & Yasuoka, Kenji, 2022. "A stochastic Hamiltonian formulation applied to dissipative particle dynamics," Applied Mathematics and Computation, Elsevier, vol. 426(C).

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