Three-dimensional boundary conditions for numerical simulations of reactive compressible flows with complex thermochemistry

The Navier–Stokes characteristic boundary conditions (NSCBC) is a very efficient numerical strategy to treat boundary conditions in fully compressible solvers. The present work is an extension of the 3D-NSCBC method proposed by Yoo et al. and Lodato et al. in order to account for multi-component reactive flows with detailed chemistry and complex transport. A new approach is proposed for the outflow boundary conditions which enables clean exit of non-normal flows, and the specific treatment of all kinds of edges and corners is carefully addressed. The proposed methodology is successfully validated on various challenging multi-component reactive flow configurations.     

An Hamiltonian interface SPH formulation for multi-fluid and free surface flows

In the present work a new SPH model for simulating interface and free surface flows is presented. This formulation is an extension of the one discussed in Colagrossi and Landrini (2003) and is related to the one proposed by Hu and Adams (2006) to study multi-fluid flows. The new SPH scheme allows an accurate treatment of the discontinuity of quantities at the interface (such as the density), and permits to model flows where both interfaces and a free surface are present. The governing equations are derived following a Lagrangian variational principle leading to an Hamiltonian system of particles. The proposed formulation is validated on test cases for which reference solutions are available in the literature.     

A fully automatic method for predicting internal reacting flows

A fully automatic method for computing elliptic internal reacting flows is presented. It uses a majorant operator-splitting method for the conservation of species equations, which permits their usually problematic integration to be performed in a two-step process. For the first nonreacting stage the algorithm of Gosman et al. [18] is utilised, whilst the form of the second reacting stage enables the method of characteristics to be implemented so that a set of ordinary differential equations is obtained. The latter are solved using Gear's [5] method for combatting the stiffness that is frequently associated with problems involving realistic chemical kinetic schemes. Some sample results for turbulent reacting flow in a combustor with a conical burner tunnel section demonstrate the viability of the technique.     

A fast algorithm for simulating vesicle flows in three dimensions

Vesicles are locally-inextensible fluid membranes that can sustain bending. In this paper, we extend the study of Veerapaneni et al. [S.K. Veerapaneni, D. Gueyffier, G. Biros, D. Zorin, A numerical method for simulating the dynamics of 3D axisymmetric vesicles suspended in viscous flows, Journal of Computational Physics 228 (19) (2009) 7233–7249] to general non-axisymmetric vesicle flows in three dimensions.     

Applicability of coupling strength estimation for linear chains of restricted access

The characterization of an unknown quantum system requires the Hamiltonian identification. The full access to the system, however, is usually restricted, hindering the direct retrieval of the relevant parameters, and a reliable indirect estimation is usually required. In this work, based on the reformulated form of the original algorithm of Burgarth et al.[Phys. Rev. A 79 020305(2009)], the robustness of the estimation scheme against numerous sources of errors during the actual measurement is analyzed. The scheme is numerically studied for sites with a chain structure, exploring its applicability against observational errors including the limited signal-noise ratio and the finite spectral width. The spectral distribution of the end site is shown to determine the applicability of the method, and reducing the influence from truncated spectral components is critical to realize the robust reconstruction of the coupling strengths.     

Three-dimensional non-free-parameter lattice-Boltzmann model and its application to inviscid compressible flows

In this Letter, a three-dimensional (3D) lattice-Boltzmann model is presented following the non-free-parameter lattice-Boltzmann method of Qu et al. [K. Qu, C. Shu, Y.T. Chew, Phys. Rev. E 75 (2007) 036706]. A simple function, which satisfies the zeroth- through third-order moments of the Maxwellian distribution function, is introduced to replace the Maxwellian distribution function as the continuous equilibrium distribution function in 3D space. The function is then discretized to discrete-velocity directions via a 25-point Lagrangian interpolation polynomial. To simulate compressible flows with shock waves, an implicit-explicit finite-difference scheme based on the total variation diminishing flux limitation is adopted to solve the discrete Boltzmann-BGK equation in order to capture the shock waves in compressible flows with a finite number of grid points. The model is validated by its application to some typical inviscid compressible flows ranging from 1D to 3D, and the numerical results are found to be in excellent agreement with the analytical solutions and/or other numerical results.     

An adaptive GRP scheme for compressible fluid flows

This paper presents a second-order accurate adaptive generalized Riemann problem (GRP) scheme for one and two dimensional compressible fluid flows. The current scheme consists of two independent parts: Mesh redistribution and PDE evolution. The first part is an iterative procedure. In each iteration, mesh points are first redistributed, and then a conservative interpolation formula is used to calculate the cell-averages and the slopes of conservative variables on the resulting new mesh. The second part is to evolve the compressible fluid flows on a fixed nonuniform mesh with the Eulerian GRP scheme, which is directly extended to two-dimensional arbitrary quadrilateral meshes. Several numerical examples show that the current adaptive GRP scheme does not only improve the resolution as well as accuracy of numerical solutions with a few mesh points, but also reduces possible errors or oscillations effectively.     

Simple and efficient relaxation methods for interfaces separating compressible fluids,cavitating flows and shocks in multiphase mixtures

Numerical approximation of the five-equation two-phase flow of Kapila et al. [A.K. Kapila, R. Menikoff, J.B. Bdzil, S.F. Son, D.S. Stewart, Two-phase modeling of deflagration-to-detonation transition in granular materials: reduced equations, Physics of Fluids 13(10) (2001) 3002–3024] is examined. This model has shown excellent capabilities for the numerical resolution of interfaces separating compressible fluids as well as wave propagation in compressible mixtures [A. Murrone, H. Guillard, A five equation reduced model for compressible two phase flow problems, Journal of Computational Physics 202(2) (2005) 664–698; R. Abgrall, V. Perrier, Asymptotic expansion of a multiscale numerical scheme for compressible multiphase flows, SIAM Journal of Multiscale and Modeling and Simulation (5) (2006) 84–115; F. Petitpas, E. Franquet, R. Saurel, O. Le Metayer, A relaxation-projection method for compressible flows. Part II. The artificial heat exchange for multiphase shocks, Journal of Computational Physics 225(2) (2007) 2214–2248]. However, its numerical approximation poses some serious difficulties. Among them, the non-monotonic behavior of the sound speed causes inaccuracies in wave’s transmission across interfaces. Moreover, volume fraction variation across acoustic waves results in difficulties for the Riemann problem resolution, and in particular for the derivation of approximate solvers. Volume fraction positivity in the presence of shocks or strong expansion waves is another issue resulting in lack of robustness. To circumvent these difficulties, the pressure equilibrium assumption is relaxed and a pressure non-equilibrium model is developed. It results in a single velocity, non-conservative hyperbolic model with two energy equations involving relaxation terms. It fulfills the equation of state and energy conservation on both sides of interfaces and guarantees correct transmission of shocks across them. This formulation considerably simplifies numerical resolution. Following a strategy developed previously for another flow model [R. Saurel, R. Abgrall, A multiphase Godunov method for multifluid and multiphase flows, Journal of Computational Physics 150 (1999) 425–467], the hyperbolic part is first solved without relaxation terms with a simple, fast and robust algorithm, valid for unstructured meshes. Second, stiff relaxation terms are solved with a Newton method that also guarantees positivity and robustness. The algorithm and model are compared to exact solutions of the Euler equations as well as solutions of the five-equation model under extreme flow conditions, for interface computation and cavitating flows involving dynamics appearance of interfaces. In order to deal with correct dynamic of shock waves propagating through multiphase mixtures, the artificial heat exchange method of Petitpas et al. [F. Petitpas, E. Franquet, R. Saurel, O. Le Metayer, A relaxation-projection method for compressible flows. Part II. The artificial heat exchange for multiphase shocks, Journal of Computational Physics 225(2) (2007) 2214–2248] is adapted to the present formulation.     

Stochastic finite difference lattice Boltzmann method for steady incompressible viscous flows

With the advent of state-of-the-art computers and their rapid availability, the time is ripe for the development of efficient uncertainty quantification (UQ) methods to reduce the complexity of numerical models used to simulate complicated systems with incomplete knowledge and data. The spectral stochastic finite element method (SSFEM) which is one of the widely used UQ methods, regards uncertainty as generating a new dimension and the solution as dependent on this dimension. A convergent expansion along the new dimension is then sought in terms of the polynomial chaos system, and the coefficients in this representation are determined through a Galerkin approach. This approach provides an accurate representation even when only a small number of terms are used in the spectral expansion; consequently, saving in computational resource can be realized compared to the Monte Carlo (MC) scheme. Recent development of a finite difference lattice Boltzmann method (FDLBM) that provides a convenient algorithm for setting the boundary condition allows the flow of Newtonian and non-Newtonian fluids, with and without external body forces to be simulated with ease. Also, the inherent compressibility effect in the conventional lattice Boltzmann method, which might produce significant errors in some incompressible flow simulations, is eliminated. As such, the FDLBM together with an efficient UQ method can be used to treat incompressible flows with built in uncertainty, such as blood flow in stenosed arteries. The objective of this paper is to develop a stochastic numerical solver for steady incompressible viscous flows by combining the FDLBM with a SSFEM. Validation against MC solutions of channel/Couette, driven cavity, and sudden expansion flows are carried out.     

HyPAM: A hybrid continuum-particle model for incompressible free-surface flows

Three major issues associated with numerical simulations of complex free-surface flows, viz. interface tracking, fragmentation and large physical jumps, are addressed by a new hybrid continuum-particle model (HyPAM). The new model consists of three parts: (1) the Polygonal Area Mapping method [Q. Zhang, P.L.-F. Liu, A new interface tracking method: the polygonal area mapping method, J. Comput. Phys. 227(8) (2008) 4063-4088]; (2) a new algorithm that decomposes the interested (water) phase into a continuum zone, a buffer zone and a particle zone, based on material topology and graph theory; (3) a ‘passive-response’ assumption, in which the air phase is assumed to respond passively to the continuum part of the water phase. The incompressible inviscid Euler equations and the equations describing the free fall of rigid bodies are used as the governing equations for the continuum-buffer zone and the particle zone, respectively, and separately. A number of examples, including water droplet impact, solitary wave propagation, and dam-break problems, are simulated for the illustration and validation of HyPAM. It is shown that HyPAM is more accurate and versatile than a continuum-based Volume-of-Fluid model. One major contribution of this work is the single-phase decomposition algorithm, useful for many other hybrid formulations. Neglecting surface tension, viscosity and particle interactions, HyPAM is currently limited to mildly-fragmented free-surface flows with high Reynolds and Weber numbers.     

Extension of the finite volume particle method to viscous flow

The finite volume particle method (FVPM) is a mesh-free method for fluid dynamics which allows simple and accurate implementation of boundary conditions and retains the conservation and consistency properties of classical finite volume methods. In this article, the FVPM is extended to viscous flows using a consistency-corrected smoothed particle hydrodynamics (SPH) approximation to evaluate velocity gradients. The accuracy of the viscous FVPM is improved by a higher-order discretisation of the inviscid flux combined with a second-order temporal discretisation. The higher-order inviscid FVPM is validated for a 1-D shock tube problem, in which it demonstrates an enhanced shock capturing ability. For two-dimensional simulations, a small arbitrary Lagrange–Euler correction to fully Lagrangian particle motion is beneficial in maintaining a favourable particle distribution over long simulation times. The viscous FVPM is validated for two-dimensional Poiseuille, Taylor–Green and lid-driven cavity flows, and good agreement is achieved with analytic or reference numerical solutions. These results establish the viability of FVPM as a tool for mesh-free simulation of viscous flows in engineering.     

Construction of low dissipative high-order well-balanced filter schemes for non-equilibrium flows

The goal of this paper is to generalize the well-balanced approach for non-equilibrium flow studied by Wang et al. (2009) [29] to a class of low dissipative high-order shock-capturing filter schemes and to explore more advantages of well-balanced schemes in reacting flows. More general 1D and 2D reacting flow models and new examples of shock turbulence interactions are provided to demonstrate the advantage of well-balanced schemes. The class of filter schemes developed by Yee et al. (1999) [33], Sjögreen and Yee (2004) [27] and Yee and Sjögreen (2007) [38] consist of two steps, a full time step of spatially high-order non-dissipative base scheme and an adaptive non-linear filter containing shock-capturing dissipation. A good property of the filter scheme is that the base scheme and the filter are stand-alone modules in designing. Therefore, the idea of designing a well-balanced filter scheme is straightforward, i.e. choosing a well-balanced base scheme with a well-balanced filter (both with high-order accuracy). A typical class of these schemes shown in this paper is the high-order central difference schemes/predictor–corrector (PC) schemes with a high-order well-balanced WENO filter. The new filter scheme with the well-balanced property will gather the features of both filter methods and well-balanced properties: it can preserve certain steady-state solutions exactly; it is able to capture small perturbations, e.g. turbulence fluctuations; and it adaptively controls numerical dissipation. Thus it shows high accuracy, efficiency and stability in shock/turbulence interactions. Numerical examples containing 1D and 2D smooth problems, 1D stationary contact discontinuity problem and 1D turbulence/shock interactions are included to verify the improved accuracy, in addition to the well-balanced behavior.     

Fast free-surface detection and level-set function definition in SPH solvers

The present paper proposes a novel algorithm to detect the free-surface in particle simulations, both in two and three dimensions. Since the proposed algorithms are based on SPH interpolations their implementation does not require complex geometrical procedures. Thus the free-surface detection can be easily embedded in SPH solvers, without a significant increase of the CPU time. Throughout this procedure accurate normal vectors to the free-surface are made available. Then it is possible to define a level-set function algorithm which is presented in detail. The latter allows in-depth analyses of three-dimensional free-surface simulations by using standard visualization tools, including internal features of the flow. The algorithms proposed for detecting free-surface particles and defining the level-set function are validated on simple and complex two- and three-dimensional flow simulations. The usefulness of the proposed procedures to post-process and analyze complex flows are illustrated on realistic examples.     

Gas kinetic algorithm for flows in Poiseuille-like microchannels using Boltzmann model equation

~~Gas kinetic algorithm for flows in Poiseuille-like microchannels using Boltzmann model equation1. Feynman, R., There's plenty of room at the bottom, Journal of Microelectromechanical Systems, 1992, 1: 60 -66. 2. Piekos, E. S., Breuer, K. S., Numerical modeling of micromechanical devices using the direct simulation Monte Carlo method, Transactions of the ASME, Journal of Fluids Engineering, 1996, 118: 464-469. 3. Beskok, A., Karniadakis, G. E., Trimmer, W., Rarefaction and …     

关于分区模拟无粘流内边界守恒算法的相容性

本文讨论用分区方法计算可压缩无粘流动的内边界通量守恒算法。分析指出插值型通量守恒算法不保证相容性条件,计算表明这种不相容性能引起数值解出现明显误差,或破坏其稳定性、收敛性。为此,文中提出内边界采用自适应算法并给出了算例。     

Long waves in streamwise varying shear flows: new mechanisms for a weakly nonlinear instability

The weakly nonlinear dynamics of long waves embedded in marginally stable shear flows that vary in the streamwise direction are shown to be governed by a variable-coefficient Boussinesq equation. Depending on the local stability characteristics of the flow, new nonmodal or modal instabilities may emerge that serve as natural mechanisms for achieving amplitude thresholds necessary for weakly nonlinear instability and the transition to fully finite-amplitude states.     

Viscous heating and the stability of newtonian and viscoelastic taylor-couette flows

The effects of viscous heating on the stability of Taylor-Couette flow were investigated through flow visualization experiments for Newtonian and viscoelastic fluids. For highly viscous Newtonian fluids, viscous heating drives a transition to a new, oscillatory mode of instability at a critical Reynolds number significantly below that at which the inertial transition is observed in isothermal flows. The effects of viscous heating may explain the discrepancies between the observed and predicted critical conditions and the symmetry of the disturbance flow for viscoelastic instabilities.     

A coupled pressure-based computational method for incompressible/compressible flows

Pressure-based flow solvers couple continuity and linearized truncated momentum equations to derive a Poisson type pressure correction equation and use the well known SIMPLE algorithm. Momentum equations and the pressure correction equation are typically solved sequentially. In many cases this method results in slow and often difficult convergence. The current paper proposes a novel computational algorithm, solving for pressure and velocity simultaneously within a pressure-correction coupled solution approach using finite volume method on structured and unstructured meshes. The method can be applied to both incompressible and subsonic compressible flows. For subsonic compressible flows, the energy equation is also coupled with flow field and the density of fluid is obtained by equation of state. The procedure eliminates the pressure correction step, the most expensive component of the SIMPLE-like algorithms. The proposed coupled continuity-momentum-energy equation method can be used to simulate steady state or transient flow problems. The method has been tested on several CFD benchmark cases with excellent results showing dramatically improved numerical convergence and significant reduction in computational time.     

Evaluation of numerical strategies for large eddy simulation of particulate two-phase recirculating flows

Predicting particle dispersion in recirculating two-phase flows is a key issue for reacting flows and a potential application of large eddy simulation (LES) methods. In this study, Euler/Euler and Euler/Lagrange LES approaches are compared in the bluff body configuration from Borée et al. [J. Borée, T. Ishima, I. Flour, The effect of mass loading and inter-particle collisions on the development of the polydispersed two-phase flow downstream of a confined bluff body, J. Fluid Mech. 443 (2001) 129–165] where glass beads are injected into a complex recirculating flow. These tests are performed for non-reacting, non-evaporating sprays but are mandatory validations before computing realistic combustion chambers. Two different codes (one explicit and compressible and the other implicit and incompressible) are also tested on the same configuration. Results show that the gas flow is well predicted by both codes. The dispersed phase is also well predicted by both codes but the Lagrangian approach predicts root-mean-square values more accurately than the Eulerian approach. The effects of mesh, solvers and numerical schemes are discussed for each method.