A parallel, high-order direct Discontinuous Galerkin (DDG) method has been developed for solving the three dimensional compressible Navier-Stokes equations on 3D hybrid grids. The most distinguishing and attractive feature of DDG method lies in its simplicity in formulation and efficiency in computational cost. The formulation of the DDG discretization for 3D Navier-Stokes equations is detailed studied and the definition of characteristic length is also carefully examined and evaluated based on 3D hybrid grids. Accuracy studies are performed to numerically verify the order of accuracy using flow problems with analytical solutions. The capability in handling curved boundary geometry is also demonstrated. Furthermore, an SPMD (single program, multiple data) programming paradigm based on MPI is proposed to achieve parallelism. The numerical results obtained indicate that the DDG method can achieve the designed order of accuracy and is able to deliver comparable results as the widely used BR2 scheme, clearly demonstrating that the DDG method provides an attractive alternative for solving the 3D compressible Navier-Stokes equations.

In this work two particle methods are studied in the context of viscous flows. The first one is a Vortex Particle Method, called Diffused Vortex Hydrodynamics (DVH), recently developed to simulate complex viscous flows at medium and high Reynolds regimes. This method presents some similarities with the SPH model and its Lagrangian meshless nature, even if it is based on a different numerical approach. Advantages and drawbacks of the two methods have been previously studied in Colagrossi et al. [1] from a theoretical point of view and in Rossi et al. [2], where these particle methods have been tested on selected benchmarks. Further investigations are presented in this article highlighting analogies and differences between the two particle models.

The carbuncle phenomenon has been regarded as a spurious solution produced by most of contact-preserving methods. The hybrid method of combining high resolution flux with more dissipative solver is an attractive attempt to cure this kind of non-physical phenomenon. In this paper, a matrix-based stability analysis for 2-D Euler equations is performed to explore the cause of instability of numerical schemes. By combining the Roe with HLL flux in different directions and different flux components, we give an interesting explanation to the linear numerical instability. Based on such analysis, some hybrid schemes are compared to illustrate different mechanisms in controlling shock instability. Numerical experiments are presented to verify our analysis results. The conclusion is that the scheme of restricting directly instability source is more stable than other hybrid schemes.

A detailed comparison of continuum and valence force field strain calculations in quantum-dot structures is presented with particular emphasis to boundary conditions, their implementation in the finite-element method, and associated implications for electronic states. The first part of this work provides the equation framework for the elastic continuum model including piezoelectric effects in crystal structures as well as detailing the Keating model equations used in the atomistic valence force field calculations. Given the variety of possible structure shapes, a choice of pyramidal, spherical and cubic-dot shapes is made having in mind their pronounced shape differences and practical relevance. In this part boundary conditions are also considered; in particular the relevance of imposing different types of boundary conditions is highlighted and discussed.

In this paper we propose stochastic multi-symplectic conservation law for stochastic Hamiltonian partial differential equations, and develop a stochastic multi-symplectic method for numerically solving a kind of stochastic nonlinear Schrödinger equations. It is shown that the stochastic multi-symplectic method preserves the multi-symplectic structure, the discrete charge conservation law, and deduces the recurrence relation of the discrete energy. Numerical experiments are performed to verify the good behaviors of the stochastic multi-symplectic method in cases of both solitary wave and collision.

We design stable and high-order accurate finite volume schemes for the ideal MHD equations in multi-dimensions. We obtain excellent numerical stability due to some new elements in the algorithm. The schemes are based on three- and five-wave approximate Riemann solvers of the HLL-type, with the novelty that we allow a varying normal magnetic field. This is achieved by considering the semi-conservative Godunov-Powell form of the MHD equations. We show that it is important to discretize the Godunov-Powell source term in the right way, and that the HLL-type solvers naturally provide a stable upwind discretization. Second-order versions of the ENO- and WENO-type reconstructions are proposed, together with precise modifications necessary to preserve positive pressure and density. Extending the discrete source term to second order while maintaining stability requires non-standard techniques, which we present. The first- and second-order schemes are tested on a suite of numerical experiments demonstrating impressive numerical resolution as well as stability, even on very fine meshes.

A moment method with closures based on Gaussian quadrature formulas is proposed to solve the Boltzmann kinetic equation with a hard-sphere collision kernel for mono-dispersed particles. Different orders of accuracy in terms of the moments of the velocity distribution function are considered, accounting for moments up to seventh order. Quadrature-based closures for four different models for inelastic collision-the Bhatnagar-Gross-Krook, ES-BGK, the Maxwell model for hard-sphere collisions, and the full Boltzmann hard-sphere collision integral-are derived and compared. The approach is validated studying a dilute non-isothermal granular flow of inelastic particles between two stationary Maxwellian walls. Results obtained from the kinetic models are compared with the predictions of molecular dynamics (MD) simulations of a nearly equivalent system with finite-size particles. The influence of the number of quadrature nodes used to approximate the velocity distribution function on the accuracy of the predictions is assessed. Results for constitutive quantities such as the stress tensor and the heat flux are provided, and show the capability of the quadrature-based approach to predict them in agreement with the MD simulations under dilute conditions.

In the first part, we study the convergence of discrete solutions to splitting schemes for two-phase flow with different mass densities suggested in [Guillen-Gonzalez, Tierra, J.Comput.Math. (6)2014]. They have been formulated for the diffuse interface model in [Abels, Garcke, Grün, M3AS, 2012, DOI:10.1142/S0218202511500138] which is consistent with thermodynamics. Our technique covers various discretization methods for phase-field energies, ranging from convex-concave splitting to difference quotient approaches for the double-well potential. In the second part of the paper, numerical experiments are presented in two space dimensions to identify discretizations of Cahn-Hilliard energies which are ϕ-stable and which do not reduce the acceleration of falling droplets. Finally, 3d simulations in axial symmetric geometries are shown to underline even more the full practicality of the approach.

A comparative study is conducted to evaluate three types of lattice Boltzmann equation (LBE) models for fluid flows with finite-sized particles, including the lattice Bhatnagar-Gross-Krook (BGK) model, the model proposed by Ladd [Ladd AJC, J. Fluid Mech., 271, 285-310 (1994); Ladd AJC, J. Fluid Mech., 271, 311-339 (1994)], and the multiple-relaxation-time (MRT) model. The sedimentation of a circular particle in a two-dimensional infinite channel under gravity is used as the first test problem. The numerical results of the three LBE schemes are compared with the theoretical results and existing data. It is found that all of the three LBE schemes yield reasonable results in general, although the BGK scheme and Ladd’s scheme give some deviations in some cases. Our results also show that the MRT scheme can achieve a better numerical stability than the other two schemes. Regarding the computational efficiency, it is found that the BGK scheme is the most superior one, while the other two schemes are nearly identical. We also observe that the MRT scheme can unequivocally reduce the viscosity dependence of the wall correction factor in the simulations, which reveals the superior robustness of the MRT scheme. The superiority of the MRT scheme over the other two schemes is also confirmed by the simulation of the sedimentation of an elliptical particle.

With the aim of solving in a four dimensional phase space a multi-scale Vlasov-Poisson system, we propose in a Particle-In-Cell framework a robust time-stepping method that works uniformly when the small parameter vanishes. As an exponential integrator, the scheme is able to use large time steps with respect to the typical size of the solution’s fast oscillations. In addition, we show numerically that the method has accurate long time behaviour and that it is asymptotic preserving with respect to the limiting Guiding Center system.

We derive a perfectly matched layer (PML) for the Schrödinger equation using a modal ansatz. We derive approximate error formulas for the modeling error from the outer boundary of the PML and the error from the discretization in the layer and show how to choose layer parameters so that these errors are matched and optimal performance of the PML is obtained. Numerical computations in 1D and 2D demonstrate that the optimized PML works efficiently at a prescribed accuracy for the zero potential case, with a layer of width less than a third of the de Broglie wavelength corresponding to the dominating frequency.

The accuracy of moment equations as approximations of kinetic gas theory is studied for four different boundary value problems. The kinetic setting is given by the BGK equation linearized around a globally constant Maxwellian using one space dimension and a three-dimensional velocity space. The boundary value problems include Couette and Poiseuille flow as well as heat conduction between walls and heat conduction based on a locally varying heating source. The polynomial expansion of the distribution function allows for different moment theories of which two popular families are investigated in detail. Furthermore, optimal approximations for a given number of variables are studied empirically. The paper focuses on approximations with relatively low number of variables which allows to draw conclusions in particular about specific moment theories like the regularized 13-moment equations.

A comparative study of two classes of third-order implicit time integration schemes is presented for a third-order hierarchical WENO reconstructed discontinuous Galerkin (rDG) method to solve the 3D unsteady compressible Navier-Stokes equations: — 1) the explicit first stage, single diagonally implicit Runge-Kutta (ESDIRK3) scheme, and 2) the Rosenbrock-Wanner (ROW) schemes based on the differential algebraic equations (DAEs) of Index-2. Compared with the ESDIRK3 scheme, a remarkable feature of the ROW schemes is that, they only require one approximate Jacobian matrix calculation every time step, thus considerably reducing the overall computational cost. A variety of test cases, ranging from inviscid flows to DNS of turbulent flows, are presented to assess the performance of these schemes. Numerical experiments demonstrate that the third-order ROW scheme for the DAEs of index-2 can not only achieve the designed formal order of temporal convergence accuracy in a benchmark test, but also require significantly less computing time than its ESDIRK3 counterpart to converge to the same level of discretization errors in all of the flow simulations in this study, indicating that the ROW methods provide an attractive alternative for the higher-order time-accurate integration of the unsteady compressible Navier-Stokes equations.

This paper is concerned with numerical approximations of a nonlocal heat equation define on an infinite domain. Two classes of artificial boundary conditions (ABCs) are designed, namely, nonlocal analog Dirichlet-to-Neumann-type ABCs (global in time) and high-order Padé approximate ABCs (local in time). These ABCs reformulate the original problem into an initial-boundary-value (IBV) problem on a bounded domain. For the global ABCs, we adopt a fast evolution to enhance computational efficiency and reduce memory storage. High order fully discrete schemes, both second-order in time and space, are given to discretize two reduced problems. Extensive numerical experiments are carried out to show the accuracy and efficiency of the proposed methods.

In this paper we consider (hierarchical, Lagrange) reduced basis approximation and a posteriori error estimation for potential flows in affinely parametrized geometries. We review the essential ingredients: i) a Galerkin projection onto a low-dimensional space associated with a smooth “parametric manifold” in order to get a dimension reduction; ii) an efficient and effective greedy sampling method for identification of optimal and numerically stable approximations to have a rapid convergence; iii) an a posteriori error estimation procedure: rigorous and sharp bounds for the linear-functional outputs of interest and over the potential solution or related quantities of interest like velocity and / or pressure; iv) an Offline-Online computational decomposition strategies to achieve a minimum marginal computational cost for high performance in the real-time and many-query (e.g., design and optimization) contexts. We present three illustrative results for inviscid potential flows in parametrized geometries representing a Venturi channel, a circular bend and an added mass problem.

Conducting lattice Boltzmann method on GPU has been proved to be an effective manner to gain a significant performance benefit, thus the GPU or multi-GPU based lattice Boltzmann method is considered as a promising and competent candidate in the study of large-scale complex fluid flows. In this work, a multi-GPU based lattice Boltzmann algorithm coupled with the sparse lattice representation and message passing interface is presented. Some numerical tests are also carried out, and the results show that a parallel efficiency close to 90% can be achieved on a single-node cluster equipped with four GPU cards. Then the proposed algorithm is adopted to study the hemodynamics of patient-specific cerebral aneurysm with stent implanted. It is found that the stent can apparently reduce the aneurysmal inflow and improve the hemodynamic environment. This work also shows that the lattice Boltzmann method running on the GPU platform is a powerful tool to study the fluid mechanism within the aneurysms and enable us to better understand the pathogenesis and treatment of cerebral aneurysms.

We describe and review non oscillatory residual distribution schemes that are rather natural extension of high order finite volume schemes when a special emphasis is put on the structure of the computational stencil. We provide their connections with standard stabilized finite element and discontinuous Galerkin schemes, show that their are really non oscillatory. We also discuss the extension to these methods to parabolic problems. We also draw some research perspectives.

This paper aims to study the numerical features of a coupling scheme between the immersed boundary (IB) method and the lattice Boltzmann BGK (LBGK) model by four typical test problems: the relaxation of a circular membrane, the shearing flow induced by a moving fiber in the middle of a channel, the shearing flow near a non-slip rigid wall, and the circular Couette flow between two inversely rotating cylinders. The accuracy and robustness of the IB-LBGK coupling scheme, the performances of different discrete Dirac delta functions, the effect of iteration on the coupling scheme, the importance of the external forcing term treatment, the sensitivity of the coupling scheme to flow and boundary parameters, the velocity slip near non-slip rigid wall, and the origination of numerical instabilities are investigated in detail via the four test cases. It is found that the iteration in the coupling cycle can effectively improve stability, the introduction of a second-order forcing term in LBGK model is crucial, the discrete fiber segment length and the orientation of the fiber boundary obviously affect accuracy and stability, and the emergence of both temporal and spatial fluctuations of boundary parameters seems to be the indication of numerical instability. These elaborate results shed light on the nature of the coupling scheme and may benefit those who wish to use or improve the method.

Offline computation is an essential component in most multiscale model reduction techniques. However, there are multiscale problems in which offline procedure is insufficient to give accurate representations of solutions, due to the fact that offline computations are typically performed locally and global information is missing in these offline information. To tackle this difficulty, we develop an online local adaptivity technique for local multiscale model reduction problems. We design new online basis functions within Discontinuous Galerkin method based on local residuals and some optimally estimates. The resulting basis functions are able to capture the solution efficiently and accurately, and are added to the approximation iteratively. Moreover, we show that the iterative procedure is convergent with a rate independent of physical scales if the initial space is chosen carefully. Our analysis also gives a guideline on how to choose the initial space. We present some numerical examples to show the performance of the proposed method.

Pressure-correction projection finite element methods (FEMs) are proposed to solve nonstationary natural convection problems in this paper. The first-order and second-order backward difference formulas are applied for time derivative, the stability analysis and error estimates of the semi-discrete schemes are presented using energy method. Compared with characteristic variational multiscale FEM, pressure-correction projection FEMs are more efficient and unconditionally energy stable. Ample numerical results are presented to demonstrate the effectiveness of the pressure-correction projection FEMs for solving these problems.