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An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids

An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids

Published on: December 4, 2017

Hydrodynamic fluctuations in thermostatted multiparticle collision dynamics.

Humberto Híjar¹, Godehard Sutmann

¹Institute for Advanced Simulation, Jülich Supercomputing Centre, Research Centre Jülich, D-52425 Jülich, Germany. hijar@daad-alumni.de

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics

|May 24, 2011

Summary

This study investigates fluid mesoscopic fluctuations using Multiparticle Collision Dynamics with local thermostatting. Results show thermostat application influences thermodynamic conditions, transitioning from isothermal to adiabatic behavior.

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Area of Science:

Computational physics
Fluid dynamics
Statistical mechanics

Background:

Mesoscopic fluctuations in fluids are crucial for understanding macroscopic properties.
Multiparticle Collision Dynamics (MCD) is a versatile method for simulating fluid behavior.
Local thermostatting procedures can alter fluctuation dynamics.

Purpose of the Study:

To investigate the impact of local thermostatting on mesoscopic fluid fluctuations simulated by MCD.
To analyze how different thermostat application intervals affect thermodynamic conditions.
To validate simulation results against linearized hydrodynamic theory.

Main Methods:

Simulating fluid behavior using Multiparticle Collision Dynamics (MCD).
Implementing local thermostatting procedures at varying time intervals.
Computing correlation functions of hydrodynamic fluctuating fields.
Comparing simulation data with theoretical predictions from linearized hydrodynamics.

Main Results:

Thermostatting accelerates the relaxation of temperature fluctuations towards equilibrium.
Gradual transition from isothermal to adiabatic conditions observed based on thermostat application frequency.
Good agreement found between MCD simulations and theoretical predictions for hydrodynamic fluctuations.

Conclusions:

Local thermostatting in MCD effectively controls temperature fluctuations.
The simulated system exhibits properties consistent with fluids in contact with a heat reservoir.
The study validates the use of MCD with local thermostats for studying hydrodynamic fluctuations.