Dissipative Particle Dynamics with energy conservation

TL;DR

This paper introduces an energy-conserving extension of dissipative particle dynamics (DPD) that incorporates internal energy and temperature variables, enabling the simulation of thermal processes in complex fluids at a mesoscopic level.

Contribution

It presents a novel generalized DPD model that conserves energy by including internal energy and temperature, allowing thermal phenomena to be studied with mesoscopic simulations.

Findings

Model incorporates internal energy and temperature for each particle.

Thermal conduction is modeled via temperature differences.

Enables simulation of thermal processes in complex fluids.

Abstract

Dissipative particle dynamics (DPD) does not conserve energy and this precludes its use in the study of thermal processes in complex fluids. We present here a generalization of DPD that incorporates an internal energy and a temperature variable for each particle. The dissipation induced by the dissipative forces between particles is invested in raising the internal energy of the particles. Thermal conduction occurs by means of (inverse) temperature differences. The model can be viewed as a simplified solver of the fluctuating hydrodynamic equations and opens up the possibility of studying thermal processes in complex fluids with a mesoscopic simulation technique.