Elimination of time step effects in DPD

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    Abstract

    The equilibrium statistics of quantities computed by means of DPD (dissipative particle dynamics) are usually very sensitive to the time step used in the simulation. In this letter we show how to eliminate this sensitivity by considering the irreversible dynamics in DPD as the limiting case of a thermostat that leaves Maxwell-Boltzmann distribution invariant even for finite time steps. The remaining dependency on time step is solely due to the discretization of the conservative part of the dynamics and is independent of the thermostat.
    Original languageEnglish
    Pages (from-to)311-317
    JournalEurophysics Letters
    Volume66
    Issue number3
    DOIs
    Publication statusPublished - 2004

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    elimination
    thermostats
    Boltzmann distribution
    leaves
    statistics
    sensitivity
    simulation

    Cite this

    @article{c1967f51b3044eb6bad34ec0d51a4779,
    title = "Elimination of time step effects in DPD",
    abstract = "The equilibrium statistics of quantities computed by means of DPD (dissipative particle dynamics) are usually very sensitive to the time step used in the simulation. In this letter we show how to eliminate this sensitivity by considering the irreversible dynamics in DPD as the limiting case of a thermostat that leaves Maxwell-Boltzmann distribution invariant even for finite time steps. The remaining dependency on time step is solely due to the discretization of the conservative part of the dynamics and is independent of the thermostat.",
    author = "E.A.J.F. Peters",
    year = "2004",
    doi = "10.1209/epl{\%}2Fi2004-10010-4",
    language = "English",
    volume = "66",
    pages = "311--317",
    journal = "EPL",
    issn = "0295-5075",
    publisher = "Institute of Physics",
    number = "3",

    }

    Elimination of time step effects in DPD. / Peters, E.A.J.F.

    In: Europhysics Letters, Vol. 66, No. 3, 2004, p. 311-317.

    Research output: Contribution to journalArticleAcademicpeer-review

    TY - JOUR

    T1 - Elimination of time step effects in DPD

    AU - Peters, E.A.J.F.

    PY - 2004

    Y1 - 2004

    N2 - The equilibrium statistics of quantities computed by means of DPD (dissipative particle dynamics) are usually very sensitive to the time step used in the simulation. In this letter we show how to eliminate this sensitivity by considering the irreversible dynamics in DPD as the limiting case of a thermostat that leaves Maxwell-Boltzmann distribution invariant even for finite time steps. The remaining dependency on time step is solely due to the discretization of the conservative part of the dynamics and is independent of the thermostat.

    AB - The equilibrium statistics of quantities computed by means of DPD (dissipative particle dynamics) are usually very sensitive to the time step used in the simulation. In this letter we show how to eliminate this sensitivity by considering the irreversible dynamics in DPD as the limiting case of a thermostat that leaves Maxwell-Boltzmann distribution invariant even for finite time steps. The remaining dependency on time step is solely due to the discretization of the conservative part of the dynamics and is independent of the thermostat.

    U2 - 10.1209/epl%2Fi2004-10010-4

    DO - 10.1209/epl%2Fi2004-10010-4

    M3 - Article

    VL - 66

    SP - 311

    EP - 317

    JO - EPL

    JF - EPL

    SN - 0295-5075

    IS - 3

    ER -