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@ARTICLE{Huang:187407,
      author       = {Huang, Chien-Cheng and Varghese, Anoop and Gompper, Gerhard
                      and Winkler, Roland G.},
      title        = {{T}hermostat for nonequilibrium
                      multiparticle-collision-dynamics simulations},
      journal      = {Physical review / E},
      volume       = {91},
      number       = {1},
      issn         = {1539-3755},
      address      = {College Park, Md.},
      publisher    = {APS},
      reportid     = {FZJ-2015-01078},
      pages        = {013310},
      year         = {2015},
      abstract     = {Multiparticle collision dynamics (MPC), a particle-based
                      mesoscale simulation technique for complex fluid, is widely
                      employed in nonequilibrium simulations of soft matter
                      systems. To maintain a defined thermodynamic state,
                      thermalization of the fluid is often required for certain
                      MPC variants. We investigate the influence of three
                      thermostats on the nonequilibrium properties of a MPC fluid
                      under shear or in Poiseuille flow. In all cases, the local
                      velocities are scaled by a factor, which is either
                      determined via a local simple scaling approach (LSS), a
                      Monte Carlo-like procedure (MCS), or by the
                      Maxwell-Boltzmann distribution of kinetic energy (MBS). We
                      find that the various scaling schemes leave the flow profile
                      unchanged and maintain the local temperature well. The fluid
                      viscosities extracted from the various simulations are in
                      close agreement. Moreover, the numerically determined
                      viscosities are in remarkably good agreement with the
                      respective theoretically predicted values. At equilibrium,
                      the calculation of the dynamic structure factor reveals that
                      the MBS method closely resembles an isothermal ensemble,
                      whereas the MCS procedure exhibits signatures of an
                      adiabatic system at larger collision-time steps. Since the
                      velocity distribution of the LSS approach is non-Gaussian,
                      we recommend to apply the MBS thermostat, which has been
                      shown to produce the correct velocity distribution even
                      under nonequilibrium conditions.},
      cin          = {IAS-2 / ICS-2},
      ddc          = {530},
      cid          = {I:(DE-Juel1)IAS-2-20090406 / I:(DE-Juel1)ICS-2-20110106},
      pnm          = {551 - Functional Macromolecules and Complexes (POF3-551)},
      pid          = {G:(DE-HGF)POF3-551},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000349868500014},
      doi          = {10.1103/PhysRevE.91.013310},
      url          = {https://juser.fz-juelich.de/record/187407},
}