Anirudh Singh Rana

A robust numerical method for the R13 equations of rarefied gas dynamics: Application to lid driven cavity

In this work we present a finite difference scheme to compute steady state solutions of the regularized 13 moment (R13) equations of rarefied gas dynamics. The scheme allows fast solutions for 2D and 3D boundary value problems (BVPs) with velocity slip and temperature jump boundary conditions. The scheme is applied to the lid driven cavity problem for Knudsen numbers up to 0.7. The results compare well with those obtained from more costly solvers for rarefied gas dynamics, such as the Integro Moment Method (IMM) and the Direct Simulation Monte Carlo (DSMC) method. The R13 equations yield better results than the classical Navier-Stokes-Fourier equations for this boundary value problem, since they give an approximate description of Knudsen boundary layers at moderate Knudsen numbers. The R13 based numerical solutions are computationally economical and may be considered as a reliable alternative mathematical model for complex industrial problems at moderate Knudsen numbers.

Heat transfer in micro devices packaged in partial vacuum

The influence of rarefaction effects on technical processes is studied numerically for a heat transfer problem in a rarefied gas, a box with bottom heated plate. Solutions obtained from several macroscopic models, in particular the classical Navier-Stokes-Fourier equations with jump and slip boundary conditions, and the regularized 13 moment (R13) equations [Struchtrup & Torrilhon, Phys. Fluids 15, 2003] are compared. The R13 results show significant flow patterns which are not present in the classical hydrodynamic description.

Thermodynamically admissible boundary conditions for the regularized 13 moment equations

A phenomenological approach to the boundary conditions for linearized R13 equations is derived using the second law of thermodynamics. The phenomenological coefficients appearing in the boundary conditions are calculated by comparing the slip, jump, and thermal creep coefficients with linearized Boltzmann solutions for Maxwell’s accommodation model for different values of the accommodation coefficient. For this, the linearized R13 equations are solved for viscous slip, thermal creep, and temperature jump problems and the results are compared to the solutions of the linearized Boltzmann equation. The influence of different collision models (hard-sphere, Bhatnagar–Gross–Krook, and Maxwell molecules) and accommodation coefficients on the phenomenological coefficients is studied.

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

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.

Thermal stress vs. thermal transpiration: A competition in thermally driven cavity flows

The velocity dependent Maxwell (VDM) model for the boundary condition of a rarefied gas, recently presented by Struchtrup [“Maxwell boundary condition and velocity dependent accommodation coefficient,” Phys. Fluids 25, 112001 (2013)], provides the opportunity to control the strength of the thermal transpiration force at a wall with temperature gradient. Molecular simulations of a heated cavity with varying parameters show intricate flow patterns for weak, or inverted transpiration force. Microscopic and macroscopic transport equations for rarefied gases are solved to study the flow patterns and identify the main driving forces for the flow. It turns out that the patterns arise from a competition between thermal transpiration force at the boundary and thermal stresses in the bulk.

Evaporation boundary conditions for the R13 equations of rarefied gas dynamics

The regularized 13 moment (R13) equations are a macroscopic model for the description of rarefied gas flows in the transition regime. The equations have been shown to give meaningful results for Knudsen numbers up to about 0.5. Here, their range of applicability is extended by deriving and testing boundary conditions for evaporating and condensing interfaces. The macroscopic interface conditions are derived from the microscopic interface conditions of kinetic theory. Tests include evaporation into a half-space and evaporation/condensation of a vapor between two liquid surfaces of different temperatures. Comparison indicates that overall the R13 equations agree better with microscopic solutions than classical hydrodynamics.

Coupled constitutive relations: a second law based higher-order closure for hydrodynamics

In the classical framework, the Navier–Stokes–Fourier equations are obtained through the linear uncoupled thermodynamic force-flux relations which guarantee the non-negativity of the entropy production. However, the conventional thermodynamic descrip- tion is only valid when the Knudsen number is sufficiently small. Here, it is shown that the range of validity of the Navier–Stokes–Fourier equations can be extended by incorporating the nonlinear coupling among the thermodynamic forces and fluxes. The resulting system of conservation laws closed with the coupled constitutive relations is able to describe many interesting rarefaction effects, such as Knudsen paradox, transpiration flows, thermal stress, heat flux without temperature gradients, etc., which cannot be predicted by the classical Navier–Stokes–Fourier equations. For this system of equations, a set of phenomenological boundary conditions, which respect the second law of thermodynamics, is also derived. Some of the benchmark problems in fluid mechanics are studied to show the applicability of the derived equations and boundary conditions.

Evaporation Boundary Conditions for the Linear R13 Equations Based on the Onsager Theory

Due to the failure of the continuum hypothesis for higher Knudsen numbers, rarefied gases and microflows of gases are particularly difficult to model. Macroscopic transport equations compete with particle methods, such as the Direct Simulation Monte Carlo method (DSMC), to find accurate solutions in the rarefied gas regime. Due to growing interest in micro flow applications, such as micro fuel cells, it is important to model and understand evaporation in this flow regime. Here, evaporation boundary conditions for the R13 equations, which are macroscopic transport equations with applicability in the rarefied gas regime, are derived. The new equations utilize Onsager relations, linear relations between thermodynamic fluxes and forces, with constant coefficients, that need to be determined. For this, the boundary conditions are fitted to DSMC data and compared to other R13 boundary conditions from kinetic theory and Navier–Stokes–Fourier (NSF) solutions for two one-dimensional steady-state problems. Overall, the suggested fittings of the new phenomenological boundary conditions show better agreement with DSMC than the alternative kinetic theory evaporation boundary conditions for R13. Furthermore, the new evaporation boundary conditions for R13 are implemented in a code for the numerical solution of complex, two-dimensional geometries and compared to NSF solutions. Different flow patterns between R13 and NSF for higher Knudsen numbers are observed.

Numerical solution of the moment equations using kinetic flux-splitting schemes

Processes in rarefied gases are accurately described by the Boltzmann equation. The solution of the Boltzmann equation using direct numerical methods and direct simulation Monte Carlo methods (DSMC) is very time consuming. An alternative approach can be obtained by using moment equations, which allow the calculation of processes in the transition regime at reduced computational cost. In the current work, a finite volume method is developed for the solution of these moment equations. The numerical scheme is based on kinetic schemes, similar to those developed for the Euler and Navier-Stokes equations by Deshpande (1986), Perthame (1990), Xu et al. (2005), Le Tallec and Perlat (1998), and others.

Analytical and Numerical Solutions of Boundary Value Problems for the Regularized 13 Moment Equations

Classical hydrodynamics—the laws of Navier‐Stokes and Fourier—fails in the description of processes in rarefied gases. For not too large Knudsen numbers, extended macroscopic models offer an alternative to the solution of the Boltzmann equations. Anlytical and numerical solutions show that the regularized 13 moment equations can capture all important linear and non‐linear rarefaction effects with good accuracy.