The non-equilibrium chemical reacting combustion flows of a proposed long slender scramjet system were numerically studied by solving the turbulent Reynolds averaged Navier-Stokes (RANS) equations. The Spalart-Allmaras one equation turbulence model is used which produces better results for near wall and boundary layer flow field problems. The lower-upper symmetric Gauss-Seidel implicit scheme, which enables results converge efficiently under steady state condition, is combined with the weighted essentially non-oscillatory (WENO) scheme to yield an accurate simulation tool for scramjet combustion flow field analysis. Using the WENO schemes high-order accuracy and its non-oscillatory solution at flow discontinuities, better resolution of the hypersonic flow problems involving complex shock-shock/shock-boundary layer interactions inside the flow path, can be achieved. Two types of scramjet combustor with cavity-based and strut-based fuel injector were considered as the testing models. The flow characteristics with and without combustion reactions of the two types combustor model were studied with a transient hydrogen/oxygen combustion model. The detailed results of aerodynamic data are obtained and discussed, moreover, the combustion properties of varying the equivalent ratio of hydrogen, including the concentration of reacting species, hydrogen and oxygen, and the reacting products, water, are demonstrated to study the combustion process and performance of the combustor. The comparisons of flow field structures, pressure on wall and velocity profiles between the experimental data and the solutions of the present algorithms, showed qualitatively as well as the quantitatively in good agreement, and validated the adequacy of the present simulation tool for hypersonic scramjet reacting flow analysis.

As a spatially extended dissipative system with strong nonlinearity the radio-frequency (rf) dielectric-barrier discharges (DBDs) at atmospheric pressure possess complex spatiotemporal nonlinear behaviors. In this paper, the time-domain nonlinear behaviors of rf DBD in atmospheric argon are studied numerically by a one-dimensional fluid model. Simulation results show that, under appropriate controlling parameters, the rf DBD can undergo a transition from single-period state to chaos through period doubling bifurcation with increasing discharge time, i.e., the regular periodic oscillation and chaos can coexist in a long time series of the atmospheric-pressure rf DBD. With increasing applied voltage amplitude, the duration of the periodic oscillation reduces gradually and chaotic zone increases, and finally the whole discharge series becomes completely chaotic state. This is different from conventional period doubling route to chaos. Moreover, the spatial characteristics of rf period-doubling discharge and chaos, as well as the parameter range of various discharge behaviors occurring are also investigated in this paper.

Internal waves arise in a wide array of oceanographic problems of both theoretical and engineering interest. In this contribution we present a new model, valid in the weakly nonlinear regime, for the propagation of disturbances along the interface between two ideal fluid layers of infinite extent and different densities. Additionally, we present a novel high-order/spectral algorithm for its accurate and stable simulation. Numerical validation results and simulations of wave-packet evolution are provided.

An optimal control problem is considered to find a stable surface traction, which minimizes the discrepancy between a given displacement field and its estimation. Firstly, the inverse elastic problem is constructed by variational inequalities, and a stable approximation of surface traction is obtained with Tikhonov regularization. Then a finite element discretization of the inverse elastic problem is analyzed. Moreover, the error estimation of the numerical solutions is deduced. Finally, a numerical algorithm is detailed and three examples in two-dimensional case illustrate the efficiency of the algorithm.

In [SIAM J. Sci. Comput., 35(2)(2013), A1049-A1072], a class of multi-domain hybrid DG and WENO methods for conservation laws was introduced. Recent applications of this method showed that numerical instability may encounter if the DG flux with Lagrangian interpolation is applied as the interface flux during the moment of conservative coupling. In this continuation paper, we present a more robust approach in the construction of DG flux at the coupling interface by using WENO procedures of reconstruction. Based on this approach, such numerical instability is overcome very well. In addition, the procedure of coupling a DG method with a WENO-FD scheme on hybrid meshes is disclosed in detail. Typical testing cases are employed to demonstrate the accuracy of this approach and the stability under the flexibility of using either WENO-FD flux or DG flux at the moment of requiring conservative coupling.

Formal analogies between the Car-Parrinello (CP) ab-initio molecular dynamics for quantum many-body systems, and the Lattice Boltzmann (LB) method for classical and quantum fluids, are pointed out. A theoretical scenario, whereby the quantum LB would be coupled to the CP framework to speed-up many-body quantum simulations, is also discussed, together with accompanying considerations on the computational efficiency of the prospective CP-LB scheme.

In Markov Chain Monte Carlo (MCMC) simulations, thermal equilibria quantities are estimated by ensemble average over a sample set containing a large number of correlated samples. These samples are selected in accordance with the probability distribution function, known from the partition function of equilibrium state. As the stochastic error of the simulation results is significant, it is desirable to understand the variance of the estimation by ensemble average, which depends on the sample size (i.e., the total number of samples in the set) and the sampling interval (i.e., cycle number between two consecutive samples). Although large sample sizes reduce the variance, they increase the computational cost of the simulation. For a given CPU time, the sample size can be reduced greatly by increasing the sampling interval, while having the corresponding increase in variance be negligible if the original sampling interval is very small. In this work, we report a few general rules that relate the variance with the sample size and the sampling interval. These results are observed and confirmed numerically. These variance rules are derived for the MCMC method but are also valid for the correlated samples obtained using other Monte Carlo methods. The main contribution of this work includes the theoretical proof of these numerical observations and the set of assumptions that lead to them.

This paper presents a parallel Newton-Krylov-Schwarz method for the numerical simulation of unsteady flows at high Reynolds number around a high-speed train under crosswind. With a realistic train geometry, a realistic Reynolds number, and a realistic wind speed, this is a very challenging computational problem. Because of the limited parallel scalability, commercial CFD software is not suitable for supercomputers with a large number of processors. We develop a Newton-Krylov-Schwarz based fully implicit method, and the corresponding parallel software, for the 3D unsteady incompressible Navier-Stokes equations discretized with a stabilized finite element method on very fine unstructured meshes. We test the algorithm and software for flows passing a train modeled after China’s high-speed train CRH380B, and we also compare our results with results obtained from commercial CFD software. Our algorithm shows very good parallel scalability on a supercomputer with over one thousand processors.

This paper investigates the eigenmode optimization problem governed by the scalar Helmholtz equation in continuum system in which the computed eigenmode approaches the prescribed eigenmode in the whole domain. The first variation for the eigenmode optimization problem is evaluated by the quadratic penalty method, the adjoint variable method, and the formula based on sensitivity analysis. A penalty optimization algorithm is proposed, in which the density evolution is accomplished by introducing an artificial time term and solving an additional ordinary differential equation. The validity of the presented algorithm is confirmed by numerical results of the first and second eigenmode optimizations in 1D and 2D problems.

In this paper we present a method to generate independent samples for a general random variable, either continuous or discrete. The algorithm is an extension of the Acceptance-Rejection method, and it is particularly useful for kinetic simulation in which the rates are fluctuating in time and have singular limits, as occurs for example in simulation of recombination interactions in a plasma. Although it depends on some additional requirements, the new method is easy to implement and rejects less samples than the Acceptance-Rejection method.

The additive Schwarz preconditioner with minimal overlap is extended to triangular spectral elements (TSEM). The method is a generalization of the corresponding method in tensorial quadrilateral spectral elements (QSEM). The proposed preconditioners are based on partitioning the domain into overlapping subdomains, solving local problems on these subdomains and solving an additional coarse problem associated with the subdomain mesh. The results of numerical experiments show that the proposed preconditioner are robust with respect to the number of elements and are more efficient than the preconditioners with generous overlaps.

An explicit spectrally accurate order-adaptive Hermite-Taylor method for the Schrödinger equation is developed. Numerical experiments illustrating the properties of the method are presented. The method, which is able to use very coarse grids while still retaining high accuracy, compares favorably to an existing exponential integrator – high order summation-by-parts finite difference method.

In order to model the dispersal of volcanic particles in the atmosphere and their deposition on the ground, one has to simulate an advection-diffusion-sedimentation process on a large spatial area. Here we compare a Lattice Boltzmann and a Cellular Automata approach. Our results show that for high Peclet regimes, the cellular automata model produce results that are as accurate as the lattice Boltzmann model and is computationally more effective.

In this paper we proposed a modified Baer-Nunziato model for compressible multi-fluid flows, with main attention on the energy exchange between the two fluids. The proposed model consists of eleven PDEs; however, the use of the particular phase evolving variables may reduce the model to have only six PDEs. The main advantage of the model is that the Abgrall's UPV criterion on mixture velocity and pressure is satisfied without affecting either its hyperbolicity or its conservations of the two individual masses, momentum or total energy. An Lax-Friedrichs scheme is built for a particular case of the proposedmodel. When the two fluids in the fluid mixture are both of the linear Mie-Gruneisen type, the scheme satisfies the Abgrall's UPV criterion on mixture velocity and pressure. Numerical experiments with polytropic, barotropic, stiffened and van der Waals fluids show that the scheme is efficient and able to treat fluids characterized with quite different thermodynamics.

Computations of microscopic circular pipe flow in a rarefied quantum gas are presented using a semiclassical axisymmetric lattice Boltzmann method. The method is first derived by directly projecting the Uehling-Uhlenbeck Boltzmann-BGK equations in two-dimensional rectangular coordinates onto the tensor Hermite polynomials using moment expansion method and then the forcing strategy of Halliday et al. [Phys. Rev. E., 64 (2001), 011208] is adopted by adding forcing terms into the resulting microdynamic evolution equation. The determination of the forcing terms is dictated by yielding the emergent macroscopic equations toward a particular target form. The correct macroscopic equations of the incompressible axisymmetric viscous flows are recovered through the Chapman-Enskog expansion. The velocity profiles and the mass flow rates of pipe flows with several Knudsen numbers covering different flow regimes are presented. It is found the Knudsen minimum can be captured in all three statistics studied. The results also indicate distinct characteristics of the effects of quantum statistics.

We extend the Chebyshev-Legendre spectral method to multi-domain case for solving the two-dimensional vorticity equations. The schemes are formulated in Legendre-Galerkin method while the nonlinear term is collocated at Chebyshev-Gauss collocation points. We introduce proper basis functions in order that the matrix of algebraic system is sparse. The algorithm can be implemented efficiently and in parallel way. The numerical analysis results in the case of one-dimensional multi-domain are generalized to two-dimensional case. The stability and convergence of the method are proved. Numerical results are given.

The Boltzmann equation (BE) for gas flows is a time-dependent nonlinear differential-integral equation in 6 dimensions. The current simplified practice is to linearize the collision integral in BE by the BGK model using Maxwellian equilibrium distribution and to approximate the moment integrals by the discrete ordinate method (DOM) using a finite set of velocity quadrature points. Such simplification reduces the dimensions from 6 to 3, and leads to a set of linearized discrete BEs. The main difficulty of the currently used (conventional) numerical procedures occurs when the mean velocity and the variation of temperature are large that requires an extremely large number of quadrature points. In this paper, a novel dynamic scheme that requires only a small number of quadrature points is proposed. This is achieved by a velocity-coordinate transformation consisting of Galilean translation and thermal normalization so that the transformed velocity space is independent of mean velocity and temperature. This enables the efficient implementation of Gaussian-Hermite quadrature. The velocity quadrature points in the new velocity space are fixed while the correspondent quadrature points in the physical space change from time to time and from position to position. By this dynamic nature in the physical space, this new quadrature scheme is termed as the dynamic quadrature scheme (DQS). The DQS was implemented to the DOM and the lattice Boltzmann method (LBM). These new methods with DQS are therefore termed as the dynamic discrete ordinate method (DDOM) and the dynamic lattice Boltzmann method (DLBM), respectively. The new DDOM and DLBM have been tested and validated with several testing problems. Of the same accuracy in numerical results, the proposed schemes are much faster than the conventional schemes. Furthermore, the new DLBM have effectively removed the incompressible and isothermal restrictions encountered by the conventional LBM.

This article is a brief survey of David Gottlieb’s extraordinary research career. It is impossible to give a thorough presentation of all his research and the impact of his work, but we shall describe the main contributions and give examples of the results in some of his papers. David was for many years the dominating person in the development of spectral methods, and we devote much of the space in this article to this field.

We analytically and numerically compute the Onsager dissociation rate (exciton dissociation) on an interface induced by a piezoelectric potential in an inorganicorganic hybrid p-n junction system (ZnO + (poly(p-phenylene vinylene)); PPV). When a positive piezoelectric potential is created at the interface region owing to the deformation of the system, free electrons accumulate at the interface. Hence, screening effects are observed. It is assumed that the electron layer formed at the interface then attracts free holes from the p-type PPV region, which leads to exciton formation, possibly via the Langevin recombination process. The increased exciton density can then contribute to the Onsager dissociation rate, which is maximum around the interface. This paper focuses on the role of piezoelectric effects in promoting exciton formation at the interface and its relation with the exciton dissociation rate.

Two-phase flow and heat transfer, such as boiling and condensing flows, are complicated physical phenomena that generally prohibit an exact solution and even pose severe challenges for numerical approaches. If numerical solution time is also an issue the challenge increases even further. We present here a numerical implementation and novel study of a fully distributed dynamic one-dimensional model of two-phase flow in a tube, including pressure drop, heat transfer, and variations in tube cross-section. The model is based on a homogeneous formulation of the governing equations, discretized by a high resolution finite difference scheme due to Kurganov and Tadmore.

The homogeneous formulation requires a set of thermodynamic relations to cover the entire range from liquid to gas state. This leads a number of numerical challenges since these relations introduce discontinuities in the derivative of the variables and are usually very slow to evaluate. To overcome these challenges, we use an interpolation scheme with local refinement.

The simulations show that the method handles crossing of the saturation lines for both liquid to two-phase and two-phase to gas regions. Furthermore, a novel result obtained in this work, the method is stable towards dynamic transitions of the inlet/outlet boundaries across the saturation lines. Results for these cases are presented along with a numerical demonstration of conservation of mass under dynamically varying boundary conditions. Finally we present results for the stability of the code in a case of a tube with a narrow section.