The study examines the flow of Lennard-Jones argon gas under macroscopically uniform shear flow using Objective Molecular Dynamics (OMD). The resulting stress and temperature profiles are compared with corresponding macroscopic profiles derived from Navier-Stokes-Fourier (NSF) continuum mechanics. Agreement between NSF and computational data is found for small shear rates. We also investigate the regime where NSF has limitations in predicting the correct behavior. As an alternative method to achieve better prediction in this regime, we use theory of Rivlin-Ericksen (RE). We propose and calibrate the non-linear RE constitutive model using OMD results. The model is shown to reduce to NSF theory in the limit of low gradient flows and make significant improvement over it under far-from-equilibrium conditions. We also establish the connection between RE and kinetic theory for a gas composed of Maxwellian molecules in simple shear.
|Original language||English (US)|
|Title of host publication||AIAA SciTech Forum 2022|
|Publisher||American Institute of Aeronautics and Astronautics Inc, AIAA|
|State||Published - 2022|
|Event||AIAA Science and Technology Forum and Exposition, AIAA SciTech Forum 2022 - San Diego, United States|
Duration: Jan 3 2022 → Jan 7 2022
|Name||AIAA Science and Technology Forum and Exposition, AIAA SciTech Forum 2022|
|Conference||AIAA Science and Technology Forum and Exposition, AIAA SciTech Forum 2022|
|Period||1/3/22 → 1/7/22|
Bibliographical noteFunding Information:
The work of GP and RDJ is supported through the Multidisciplinary Research Program of the University Research Initiative (MURI) under Grant No. FA9550-18-1-0095 and a Vannevar Bush Faculty Fellowship. T. E. Schwartzentruber acknowledges funding from NASA under grant 80NSSC20K1061.
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