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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},
}