Transport coefficients of off-lattice mesoscale-hydrodynamics simulation techniques

TL;DR

This paper investigates the transport coefficients, specifically viscosity and self-diffusion, of mesoscale hydrodynamic simulation techniques MPC and DPD, deriving analytical expressions and validating them with simulation data.

Contribution

It provides analytical formulas for transport coefficients in MPC and DPD methods, including angular-momentum conserving variants, and compares these with simulation results.

Findings

Analytical expressions for viscosity and diffusion constants are derived.

Good agreement between theoretical predictions and simulation data is demonstrated.

The work covers both angular-momentum conserving and non-conserving variants.

Abstract

The viscosity and self-diffusion constant of particle-based mesoscale hydrodynamic methods, multi-particle collision dynamics (MPC) and dissipative particle dynamics (DPD), are investigated, both with and without angular-momentum conservation. Analytical results are derived for fluids with an ideal-gas equation of state and a finite-time-step dynamics, and compared with simulation data. In particular, the viscosity is derived in a general form for all variants of the MPC method. In general, very good agreement between theory and simulations is obtained.