Molecular-level study of compressible gaseous continua

Abstract

For over 150 years, compressible gaseous continua have usually been formulated in terms of the Navier-Stokes-Fourier (NSF) equations for the macroscopic velocity, pressure and energy as functions of position and time. This study introduces molecular-level investigations of compressible gaseous continua using direct simulation in the Monte Carlo method and molecular dynamics. It is observed that the thermodynamic flux can be generated as long as molecular collisions occur, even without temperature drive and stress tensor work. This is contrary to the general opinion that temperature drive and stress tensor work are the only proximate causes driving thermodynamic flow.

Examination of Couette Flow with a Pressure Gradient and Heat Conduction Using Molecular Dynamics Simulation

“…MD simulations are more useful than Navier-Stokes equations for compressible flows because they can offer precise insights into the behavior of compressible gaseous continua at the molecular level. Conducting this investigation at the molecular level enables a more thorough comprehension of compressibility, which is essential for accurately capturing the dynamics of compressible flows [21].…”