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We consider the dissipative coupling between a stochastic Lattice Boltzmann(LB) fluid and a particle-based Molecular Dynamics (MD) system, as it was firstintroduced by Ahlrichs and D\"unweg (J. Chem. Phys. 111 (1999) 8225). The fluidvelocity at the position of a particle is determined by interpolation, suchthat a Stokes friction force gives rise to an exchange of momentum between theparticle and the surrounding fluid nodes. For efficiency reasons, the LB timestep is chosen as a multiple of the MD time step, such that the MD system isupdated more frequently than the LB fluid. In this situation, there aredifferent ways to implement the coupling: Either the fluid velocity at thesurrounding nodes is only updated every LB time step, or it is updated every MDstep. It is demonstrated that the latter choice, which enforces momentumconservation on a significantly shorter time scale, is clearly superior interms of stability and accuracy, and nevertheless only marginally slower interms of execution speed. The second variant is therefore the recommendedimplementation.

An improved dissipative coupling scheme for a system of Molecular Dynamics particles interacting with a Lattice Boltzmann fluid