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Microscopic molecular dynamics characterization of the second-order non-Navier-Fourier constitutive laws in the Poiseuille gas flow

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dc.contributor.author Rana, Anirudh
dc.date.accessioned 2023-08-16T05:17:15Z
dc.date.available 2023-08-16T05:17:15Z
dc.date.issued 2016-08
dc.identifier.uri https://pubs.aip.org/aip/pof/article/28/8/082003/644034/Microscopic-molecular-dynamics-characterization-of
dc.identifier.uri http://dspace.bits-pilani.ac.in:8080/xmlui/handle/123456789/11417
dc.description.abstract The second-order non-Navier-Fourier constitutive laws, expressed in a compact algebraic mathematical form, were validated for the force-driven Poiseuille gas flow by the deterministic atomic-level microscopic molecular dynamics (MD). Emphasis is placed on how completely different methods (a second-order continuum macroscopic theory based on the kinetic Boltzmann equation, the probabilistic mesoscopic direct simulation Monte Carlo, and, in particular, the deterministic microscopic MD) describe the non-classical physics, and whether the second-order non-Navier-Fourier constitutive laws derived from the continuum theory can be validated using MD solutions for the viscous stress and heat flux calculated directly from the molecular data using the statistical method. Peculiar behaviors (non-uniform tangent pressure profile and exotic instantaneous heat conduction from cold to hot [R. S. Myong, “A full analytical solution for the force-driven compressible Poiseuille gas flow based on a nonlinear coupled constitutive relation,” Phys. Fluids 23(1), 012002 (2011)]) were re-examined using atomic-level MD results. It was shown that all three results were in strong qualitative agreement with each other, implying that the second-order non-Navier-Fourier laws are indeed physically legitimate in the transition regime. Furthermore, it was shown that the non-Navier-Fourier constitutive laws are essential for describing non-zero normal stress and tangential heat flux, while the classical and non-classical laws remain similar for shear stress and normal heat flux. en_US
dc.language.iso en en_US
dc.publisher AIP en_US
dc.subject Mathematics en_US
dc.subject Microscopic en_US
dc.subject Molecular dynamics en_US
dc.subject Poiseuille gas flow en_US
dc.title Microscopic molecular dynamics characterization of the second-order non-Navier-Fourier constitutive laws in the Poiseuille gas flow en_US
dc.type Article en_US


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