Stable and accurate schemes for smoothed dissipative particle dynamics

TL;DR

This paper introduces a new numerical scheme for SDPD that incorporates a Metropolis step to enhance stability, addressing existing issues with energy conservation and parallelizability.

Contribution

It adapts recent DPDE numerical schemes to SDPD and introduces a Metropolis step for improved stability in the integration process.

Findings

Enhanced stability of SDPD simulations

Improved energy conservation properties

Potential for better parallel implementation

Abstract

Smoothed Dissipative Particle Dynamics (SDPD) is a mesoscopic particle method which allows to select the level of resolution at which a fluid is simulated. The numerical integration of its equations of motion still suffers from the lack of numerical schemes satisfying all the desired properties: energy conservation, parallelizability and stability. The similarities between SDPD and Dissipative Particle Dynamics with Energy conservation (DPDE), which is another coarse-grained model, enable the adaptation of recent numerical schemes developed for DPDE to the SDPD setting. In this article, we introduce a Metropolis step in the integration of the fluctuation/dissipation part of SDPD to improve its stability.