In this paper, a gas kinetic scheme for the compressible multicomponent flows is presented by making use of two-species GK model in [A. D. Kotelnikov and D. C. Montgomery, A Kinetic Method for Computing Inhomogeneous Fluid Behavior, J. Comput. Phys. 134 (1997) 364-388]. Different from the conventional BGK model, the collisions between different species are taken into consideration. Based on the Chapman-Enskog expansion, the corresponding macroscopic equations are derived from this two-species model. Because of the relaxation terms in the governing equations, the method of operator splitting is applied. In the hyperbolic part, the integral solutions of the BGK equations are used to construct the numerical fluxes at the cell interface in the framework of finite volume method. Numerical tests are presented in this paper to validate the current approach for the compressible multicomponent flows. The theoretical analysis on the spurious oscillations at the interface is also presented.

Propagation of light through curved graded index optical waveguides supporting an arbitrary high number of modes is investigated. The discussion is restricted to optical wave fields which are well confined within the core region and losses through radiation are neglected. Using coupled mode theory formalism, two new forms for the propagation kernel for the transverse electric (TE) wave as it travels along a curved two-dimensional waveguide are presented. One form, involving the notion of “bend” modes, is shown to be attractive from a computational point of view as it allows an efficient numerical evaluation of the optical field for sharply bent waveguides.

In this paper we study a low frequency model for acoustic propagation in a 2D flow duct. For some Mach profile flow, we are able to give a well-posedness theorem. Its proof relies on a quasi-explicit expression of the solution which provides us an efficient numerical method. We give and comment numerical results for particular linear, tangent and quadratic profiles. Finally, we give a numerical validation of our asymptotic model.

Even though there are various fast methods and preconditioning techniques available for the simulation of Poisson problems, little work has been done for solving Poisson's equation by using the Helmholtz decomposition scheme. To bridge this issue, we propose a novel efficient algorithm to solve Poisson's equation in irregular two dimensional domains for electrostatics through a quasi-Helmholtz decomposition technique—the loop-tree basis decomposition. It can handle Dirichlet, Neumann or mixed boundary problems in which the filling media can be homogeneous or inhomogeneous. A novel point of this method is to first find the electric flux efficiently by applying the loop-tree basis functions. Subsequently, the potential is obtained by finding the inverse of the gradient operator. Furthermore, treatments for both Dirichlet and Neumann boundary conditions are addressed. Finally, the validation and efficiency are illustrated by several numerical examples. Through these simulations, it is observed that the computational complexity of our proposed method almost scales as , where N is the triangle patch number of meshes. Consequently, this new algorithm is a feasible fast Poisson solver.

In this paper, we will present a high-order, well-conditioned boundary element method (BEM) based on Müller's hypersingular second kind integral equation formulation to accurately compute electrostatic potentials in the presence of inhomogeneity embedded within layered media. We consider two types of inhomogeneities: the first one is a simple model of an ion channel which consists of a finite height cylindrical cavity embedded in a layered electrolytes/membrane environment, and the second one is a Janus particle made of two different semi-spherical dielectric materials. Both types of inhomogeneities have relevant applications in biology and colloidal material, respectively. The proposed BEM gives condition numbers, allowing fast convergence of iterative solvers compared to previous work using first kind of integral equations. We also show that the second order basis converges faster and is more accurate than the first order basis for the BEM.

In this paper, we are concerned with the constrained finite element method based on domain decomposition satisfying the discrete maximum principle for diffusion problems with discontinuous coefficients on distorted meshes. The basic idea of domain decomposition methods is used to deal with the discontinuous coefficients. To get the information on the interface, we generalize the traditional Neumann-Neumann method to the discontinuous diffusion tensors case. Then, the constrained finite element method is used in each subdomain. Comparing with the method of using the constrained finite element method on the global domain, the numerical experiments show that not only the convergence order is improved, but also the nonlinear iteration time is reduced remarkably in our method.

In this paper, we propose an uniformly convergent adaptive finite element method with hybrid basis (AFEM-HB) for the discretization of singularly perturbed nonlinear eigenvalue problems under constraints with applications in Bose-Einstein condensation (BEC) and quantum chemistry. We begin with the time-independent Gross-Pitaevskii equation and show how to reformulate it into a singularly perturbed nonlinear eigenvalue problem under a constraint. Matched asymptotic approximations for the problem are reviewed to confirm the asymptotic behaviors of the solutions in the boundary/interior layer regions. By using the normalized gradient flow, we propose an adaptive finite element with hybrid basis to solve the singularly perturbed nonlinear eigenvalue problem. Our basis functions and the mesh are chosen adaptively to the small parameter ε. Extensive numerical results are reported to show the uniform convergence property of our method. We also apply the AFEM-HB to compute the ground and excited states of BEC with box/harmonic/optical lattice potential in the semiclassical regime (0 <ε≪C 1). In addition, we give a detailed error analysis of our AFEM-HB to a simpler singularly perturbed two point boundary value problem, show that our method has a minimum uniform convergence order

In this study an explicit Finite Difference Method (FDM) based scheme is developed to solve the Maxwell's equations in time domain for a lossless medium. This manuscript focuses on two unique aspects – the three dimensional time-accurate discretization of the hyperbolic system of Maxwell equations in three-point non-staggered grid stencil and it's application to parallel computing through the use of Graphics Processing Units (GPU). The proposed temporal scheme is symplectic, thus permitting conservation of all Hamiltonians in the Maxwell equation. Moreover, to enable accurate predictions over large time frames, a phase velocity preserving scheme is developed for treatment of the spatial derivative terms. As a result, the chosen time increment and grid spacing can be optimally coupled. An additional theoretical investigation into this pairing is also shown. Finally, the application of the proposed scheme to parallel computing using one Nvidia K20 Tesla GPU card is demonstrated. For the benchmarks performed, the parallel speedup when compared to a single core of an Intel i7-4820K CPU is approximately 190x.

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.

We introduce a third order adaptive mesh method to arbitrary high order Godunov approach. Our adaptive mesh method consists of two parts, i.e., mesh-redistribution algorithm and solution algorithm. The mesh-redistribution algorithm is derived based on variational approach, while a new solution algorithm is developed to preserve high order numerical accuracy well. The feature of proposed Adaptive ADER scheme includes that 1). all simulations in this paper are stable for large CFL number, 2). third order convergence of the numerical solutions is successfully observed with adaptive mesh method, and 3). high resolution and non-oscillatory numerical solutions are obtained successfully when there are shocks in the solution. A variety of numerical examples show the feature well.

An accurate and direct algorithm for solving the semiclassical Boltzmann equation with relaxation time approximation in phase space is presented for parallel treatment of rarefied gas flows of particles of three statistics. The discrete ordinate method is first applied to discretize the velocity space of the distribution function to render a set of scalar conservation laws with source term. The high order weighted essentially non-oscillatory scheme is then implemented to capture the time evolution of the discretized velocity distribution function in physical space and time. The method is developed for two space dimensions and implemented on gas particles that obey the Maxwell-Boltzmann, Bose-Einstein and Fermi-Dirac statistics. Computational examples in one- and two-dimensional initial value problems of rarefied gas flows are presented and the results indicating good resolution of the main flow features can be achieved. Flows of wide range of relaxation times and Knudsen numbers covering different flow regimes are computed to validate the robustness of the method. The recovery of quantum statistics to the classical limit is also tested for small fugacity values.

In this paper, the mechanisms of material removal in chemical mechanical polishing (CMP) processes are investigated in detail by the smoothed particle hydrodynamics (SPH) method. The feature-scale behaviours of slurry flow, rough pad, wafer defects, moving solid boundaries, slurry-abrasive interactions, and abrasive collisions are modelled and simulated. Compared with previous work on CMP simulations, our simulations incorporate more realistic physical aspects of the CMP process, especially the effect of abrasive concentration in the slurry flows. The preliminary results on slurry flow in CMP provide microscopic insights on the experimental data of the relation between the removal rate and abrasive concentration and demonstrate that SPH is a suitable method for the research of CMP processes.

Schwarz waveform relaxation (SWR) algorithm has been investigated deeply and widely for regular time dependent problems. But for time delay problems, complete analysis of the algorithm is rare. In this paper, by using the reaction diffusion equations with a constant discrete delay as the underlying model problem, we investigate the convergence behavior of the overlapping SWR algorithm with Robin transmission condition. The key point of using this transmission condition is to determine a free parameter as better as possible and it is shown that the best choice of the parameter is determined by the solution of a min-max problem, which is more complex than the one arising for regular problems without delay. We propose new notion to solve the min-max problem and obtain a quasi-optimized choice of the parameter, which is shown efficient to accelerate the convergence of the SWR algorithm. Numerical results are provided to validate the theoretical conclusions.

This paper is an introduction to a conservative, positive numerical scheme which takes into account the phenomena of reflection and transmission of high frequency acoustic waves at a straight interface between two homogeneous media. Explicit forms of the interpolation coefficients for reflected and transmitted wave vectors on a two-dimensional uniform grid are derived. The propagation model is a Liouville transport equation solved in phase space.

In this paper we present a software package based on modern information technologies that allows rapid analysis and visualization of the properties of complex plasmas. The properties of plasma are simulated by two means. First of all, we have applied the molecular dynamics simulation method which numerically solves the equations of motions for plasma particles. Secondly, we calculate microscopic properties of plasma by using the Boltzmann equation with additional relations, initial and boundary conditions.

Implicit time integration schemes are popular because their relaxed stability constraints can result in better computational efficiency. For time-accurate unsteady simulations, it has been well recognized that the inherent dispersion and dissipation errors of implicit Runge-Kutta schemes will reduce the computational accuracy for large time steps. Yet for steady state simulations using the time-dependent governing equations, these errors are often overlooked because the intermediate solutions are of less interest. Based on the model equation dy/dt=(μ+iλ)y of scalar convection diffusion systems, this study examines the stability limits, dispersion and dissipation errors of four diagonally implicit Runge-Kutta-type schemes on the complex (μ+iλ)Δt plane. Through numerical experiments, it is shown that, as the time steps increase, the A-stable implicit schemes may not always have reduced CPU time and the computations may not always remain stable, due to the inherent dispersion and dissipation errors of the implicit Runge-Kutta schemes. The dissipation errors may decelerate the convergence rate, and the dispersion errors may cause large oscillations of the numerical solutions. These errors, especially those of high wavenumber components, grow at large time steps. They lead to difficulty in the convergence of the numerical computations, and result in increasing CPU time or even unstable computations as the time step increases. It is concluded that an optimal implicit time integration scheme for steady state simulations should have high dissipation and low dispersion.

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.

The evolution of material points interacting via gravitational force in 3D space was investigated. At initial moment points with masses of 2.48 Sun masses are randomly distributed inside a cube with an edge of 5 light-years. The modeling was conducted at different initial distributions of velocities and different ratios between potential and kinetic energy of the points. As a result of modeling the time dependence of velocity distribution function of points was obtained. Dependence of particles fraction which had evaporated frominitial cluster on time for different initial conditions is obtained. In particular, it was obtained that the fraction of evaporated particles varies between 0,45 and 0,63.

Mutual diffusion of two classes of particles at different initial conditions in the case when at initial moment of time both classes of particles occupy equal parts of cube was investigated.

The maximum Lyapunov exponent of the system with different initial conditions was calculated. The obtained value weakly depends on the ratio between initial kinetic and potential energies and amounts approximately 10–5. Corresponding time of the particle trajectories divergence turned out to be 40-50 thousand years.

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.

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.