The linear Navier-Stokes-Fourier (NSF) constitutive relations are capable of simulating the near-continuum flows, but fail in description of those flows which are removed far away from local equilibrium. In this paper, a diatomic nonlinear model named as nonlinear coupled constitutive relations (NCCR), derived from Eu's generalized hydrodynamics and proposed by Myong, is presented as an alternative for simulating these hypersonic gas flows with a goal of recovering NSF's solutions in continuum regime and being superior in transition regime. To guarantee stable computation, a reliable and efficient coupled algorithm is proposed for this diatomic nonlinear constitutive model. Constitutive-curve analysis is carried out in detail to compare this coupled algorithm with Myong's previous algorithm. Local flow regions are investigated carefully in these hypersonic flows past a cone tip, a hollow cylinder-flare and a HTV-type vehicle. The convergent solutions of NCCR model are compared with NSF, DSMC calculations and experiment. It is demonstrated that the NCCR model works as efficiently as the NSF model in continuum regime, but more accurately compared with DSMC and experiment than NSF in non-equilibrium flows. The discrepancies of flow- field and surface parameters, imply a potential for remedying NSF's deficiency in local non-equilibrium regions.
The particle-based ellipsoidal statistical Bhatnagar-Gross-Krook (ESBGK) model is extended to diatomic molecules and compared with the Direct Simulation Monte Carlo (DSMC) method. For this an efficient method is developed that optionally allows the handling of quantized vibrational energies. The proposed method is verified with a gas in an adiabatic box relaxing from a non-equilibrium state to an equilibrium. It is shown that the analytical Landau-Teller expression as well as DSMC results agree very well with the new method. Furthermore, the method is compared with DSMC results and experimenta…
An implicit scheme for steady state solutions of diatomic gas flow is presented. The method solves the Rykov model equation in the finite volume discrete velocity method (DVM) framework, in which the translational and rotational degrees of freedom are taken into account. At the cell interface, a difference scheme of the model equation is used to construct a multiscale flux (similar to discrete unified gas-kinetic scheme (DUGKS)), so that the cell size is not constrained by the cell Knudsen (Kn) number. The physical local time step is implemented to preserve the multiscale property in the nonun…
Hypersonic flow around a vehicle in near space flight is associated with multiscale non-equilibrium physics at a large variation of local Knudsen number from the leading edge highly compressible flow to the trailing edge particle free transport. To accurately capture the solution in all flow regimes from the continuum Navier-Stokes solution to the rarefied gas dynamics in a single computation requires genuinely multiscale method. The unified gas-kinetic wave-particle (UGKWP) method targets on the simulation of such a multicale transport. Due to the wave-particle decomposition, the dynamics in …
In this paper, the unified gas-kinetic wave-particle (UGKWP) method is further developed for diatomic gas with the energy exchange between translational and rotational modes for flow study in all regimes. The multiscale transport mechanism in UGKWP is coming from the direct modeling in a discretized space, where the cell's Knudsen number, defined by the ratio of particle mean free path over the numerical cell size, determines the flow physics simulated by the wave particle formulation. The non-equilibrium distribution function in UGKWP is tracked by the discrete particle and analytical wave. T…
A computationally accurate and efficient numerical method under a unified framework is crucial to various multi-scale scientific and engineering problems. So far, many numerical methods have encountered various challenges in efficiently solving multi-scale non-equilibrium flows that cover a wide range of Knudsen numbers, especially the three-dimensional hypersonic flows. In this study, a conservative implicit scheme is further presented for three-dimensional steady flows of diatomic gases in all flow regimes, where both the implicit microscopic kinetic equations based on Rykov model and the co…
Reformulating constitutive relation in terms of gradient dynamics (being derivative of a dissipation potential) brings additional information on stability, metastability and instability of the dynamics with respect to perturbations of the constitutive relation, called CR-stability. CR-instability is connected to the loss of convexity of the dissipation potential, which makes the Legendre-conjugate dissipation potential multivalued and causes dissipative phase transitions, that are not induced by non-convexity of free energy, but by non-convexity of the dissipation potential. CR-stability of th…
Non-equilibrium effects play a vital role in high-speed and rarefied gas flows and the accurate simulation of these flow regimes are far beyond the capability of near-local-equilibrium Navier-Stokes-Fourier equations. Eu proposed generalized hydrodynamic equations which are consistent with the laws of irreversible thermodynamics to solve this problem. Based on Eu's generalized hydrodynamics equations, a computational model, namely the nonlinear coupled constitutive relations(NCCR),was developed by R.S.Myong and applied successfully to one-dimensional shock wave structure and two-dimensional ra…
Well-Posed Two-Temperature Constitutive Equations for Stable Dense Fluid Shockwaves using Molecular Dynamics and Generalizations of Navier-Stokes-Fourier Continuum Mechanics
The classical Lorentz reciprocal theorem (LRT) was originally derived for slow viscous flows of incompressible Newtonian fluids under the isothermal condition. In the present work, we extend the LRT from simple to complex fluids with open or moving boundaries that maintain non-equilibrium stationary states. In complex fluids, the hydrodynamic flow is coupled with the evolution of internal degrees of freedom such as the solute concentration in two-phase binary fluids and the spin in micropolar fluids. The dynamics of complex fluids can be described by local conservation laws supplemented with l…
In this paper, a unified gas-kinetic scheme (UGKS) with simplified multi-scale numerical flux is proposed for the thermodynamic non-equilibrium flow simulation involving the excitation of molecular vibrational degrees of freedom in all flow regimes. The present UGKS keep the basic conservation laws of the macroscopic flow variables and the microscopic gas distribution function in a discretized space. In order to improve the efficiency of the UGKS, a simplify multi-scale numerical flux is directly constructed from the characteristic difference solution of the kinetic model equation. In addition…
The role of thermodynamics in deriving constitutive equations is unique, and various approaches have been developed in the last decades. In the present paper, the frameworks of Extended Irreversible Thermodynamics (EIT) and Non-Equilibrium Thermodynamics with Internal Variables (NET-IV) are discussed and compared to each other on the basis of a particular problem of rarefied gases. In this comparison, both theoretical and experimental aspects are taken into account. Eventually, an experiment by Meyer and Sessler covering a wide range of pressures and frequencies is investigated. Here, concentr…
We present a series of three-dimensional discrete Boltzmann (DB) models for compressible flows in and out of equilibrium. The key formulating technique is the construction of discrete equilibrium distribution function through inversely solving the kinetic moment relations that it satisfies. The crucial physical requirement is that all the used kinetic moment relations must be consistent with the non-equilibrium statistical mechanics. The necessity of such a kinetic model is that, with increasing the complexity of flows, the dynamical characterization of non-equilibrium state and the understand…
Lagrangian dynamics unveil polymer conformation in viscoelastic flows
Tufts University（塔夫茨大学）；Institute for Mechanobiology, Department of Bioengineering, College of Engineering, Northeastern University（东北大学生物工程学院机制生物学研究所）；Department of Mechanical Science and Engineering, University of Illinois Urbana-Champaign（伊利诺伊大学厄巴纳-香槟分校机械科学与工程系）；Department of Mechanical Engineering and Applied Mechanics, University of Pennsylvania（宾夕法尼亚大学机械工程和应用力学系）
In this paper we propose a novel approach to construct macroscopic balance equations and constitutive equations describing various irreversible phenomena. It is based on the general principles of non-equilibrium thermodynamics and consists of four basic steps: picking suitable state variables, choosing a strictly concave entropy function, separating entropy fluxes and production rates properly, and determining a dissipation matrix. Our approach takes the advantage of both EIT and GENERIC formalisms, and shows a direct correspondence with Levermore's moment closure hierarchies for the Boltzmann…
