Smoothed Dissipative Particle Dynamics package for LAMMPS

M Jalalvand and MA Charsooghi and S Mohammadinejad, COMPUTER PHYSICS COMMUNICATIONS, 255, 107261 (2020).

DOI: 10.1016/j.cpc.2020.107261

An isothermal implementation of Smoothed Dissipative Particle Dynamics (SDPD) for LAMMPS is presented. SDPD is useful for hydrodynamics simulations at mesoscale where the effect of thermal fluctuations are important, but a molecular dynamics simulation is prohibitively expensive. We have used this package to simulate diffusion of spherical colloids. The results (particularly the long-time behaviour of velocity autocorrelation function) are in agreement with theoretical models that take hydrodynamic interactions into account. Program summary Program Title: Smoothed Dissipative Particle Hydrodynamics Program Files doi: Licensing provisions: LGPLv3 Programming language: C++ Nature of problem: Multi-scale simulation of fluctuating hydrodynamics with consistent thermodynamics and hydrodynamic interactions in arbitrary geometry. Solution method: We have implemented an isothermal version of the Smoothed Dissipative Particle Hydrodynamics. SDPD is a multi-scale method as its input is only the resolution of particle grid used to model the fluid and macroscopic properties of fluid like viscosity and density (e.g there is no need to specify the strength of fluctuating force). SDPD respects the laws of thermodynamics and the Navier-Stokes equation by design. (C) 2020 Elsevier B.V. All rights reserved.

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