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.

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 detailedly 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.

How to effectively simulate the interaction between fluid and solid elements of different sizes remains to be challenging. The discrete element method (DEM) has been used to deal with the interactions between solid elements of various shapes and sizes, while the material point method (MPM) has been developed to handle the multiphase (solid-liquid-gas) interactions involving failure evolution. A combined MPM-DEM procedure is proposed to take advantage of both methods so that the interaction between solid elements and fluid particles in a container could be better simulated. In the proposed procedure, large solid elements are discretized by the DEM, while the fluid motion is computed using the MPM. The contact forces between solid elements and rigid walls are calculated using the DEM. The interaction between solid elements and fluid particles are calculated via an interfacial scheme within the MPM framework. With a focus on the boundary condition effect, the proposed procedure is illustrated by representative examples, which demonstrates its potential for a certain type of engineering problems.

A novel mesh deformation technique is developed based on the Delaunay graph mapping method and the inverse distance weighting (IDW) interpolation. The algorithm maintains the advantages of the efficiency of Delaunay graph mapping mesh deformation while it also possesses the ability of better controlling the near surface mesh quality. The Delaunay graph is used to divide the mesh domain into a number of sub-domains. On each sub-domain, the inverse distance weighting interpolation is applied, resulting in a similar efficiency as compared to the fast Delaunay graph mapping method. The paper will show how the near-wall mesh quality is controlled and improved by the new method.

In order to study the local refinement issue of the horizontal resolution for a global model with Spherical Centroidal Voronoi Tessellations (SCVTs), the SCVTs are set to 10242 cells and 40962 cells respectively using the density function. The ratio between the grid resolutions in the high and low resolution regions (hereafter RHL) is set to 1:2, 1:3 and 1:4 for 10242 cells and 40962 cells, and the width of the grid transition zone (for simplicity, WTZ) is set to 18^◦ and 9^◦to investigate their impacts on the model simulation. The ideal test cases, i.e. the cosine bell and global steady-state nonlinear zonal geostrophic flow, are carried out with the above settings. Simulation results show that the larger the RHL is, the larger the resulting error is. It is obvious that the 1:4 ratio gives rise to much larger errors than the 1:2 or 1:3 ratio; the errors resulting from the WTZ is much smaller than that from the RHL. No significant wave distortion or reflected waves are found when the fluctuation passes through the refinement region, and the error is significantly small in the refinement region. Therefore, when designing a local refinement scheme in the global model with SCVT, the RHL should be less than 1:4, i.e., the error is acceptable when the RHL is 1:2 or 1:3.

This paper systematically compares the numerical implementation and computational cost between the Fourier spectral iterative perturbation method (FSIPM) and the finite element method (FEM) in solving partial differential equilibrium equations with inhomogeneous material coefficients and eigenfields (e.g., stress-free strain and spontaneous electric polarization) involved in phase-field models. Four benchmark numerical examples, including inhomogeneous elastic, electrostatic, and steady-state heat conduction problems demonstrate that (1) the FSIPM rigorously requires uniform hexahedral (3D) and quadrilateral (2D) mesh and periodic boundary conditions for numerical implementation while the FEM permits arbitrary mesh and boundary conditions; (2) the FSIPM solutions are comparable to their FEM counterparts, and both of them agree with the analytic solutions, (3) the FSIPM is much faster in solving equilibrium equations than the FEM to achieve the accurate solutions, thus exhibiting a greater potential for large-scale 3D computations.

In this work we discuss the numerical discretization of the time-dependent Maxwell's equations using a fully explicit leap-frog type discontinuous Galerkin method. We present a sufficient condition for the stability and error estimates, for cases of typical boundary conditions, either perfect electric, perfect magnetic or first order Silver-Müller. The bounds of the stability region point out the influence of not only the mesh size but also the dependence on the choice of the numerical flux and the degree of the polynomials used in the construction of the finite element space, making possible to balance accuracy and computational efficiency. In the model we consider heterogeneous anisotropic permittivity tensors which arise naturally in many applications of interest. Numerical results supporting the analysis are provided.

An idea of designing oscillation-less and high-resolution hybrid schemes is proposed and several types of hybrid schemes based on this idea are presented on block-structured grids. The general framework, for designing various types of hybrid schemes, is established using a Multi-dimensional Optimal Order Detection (MOOD) method proposed by Clain, Diot and Loubère [1]. The methodology utilizes low dissipation or dispersion but less robust schemes to update the solution and then implements robust and high resolution schemes to deal with problematic situations. A wide range of computational methods including central scheme, MUSCL scheme, linear upwind scheme and Weighted Essentially Non Oscillatory (WENO) scheme have been applied in the current hybrid schemes framework. Detailed numerical studies on classical test cases for the Euler system are performed, addressing the issues of the resolution and non-oscillatory property around the discontinuities.

This paper is concerned with numerical methods for the Navier-Stokes-Nernst-Planck-Poisson equation system. The main goal is to construct and analyze some stable time stepping schemes for the time discretization and use a spectral method for the spatial discretization. The main contribution of the paper includes: 1) an useful stability inequality for the weak solution is derived; 2) a first order time stepping scheme is constructed, and the non-negativity of the concentration components of the discrete solution is proved. This is an important property since the exact solution shares the same property. Moreover, the stability of the scheme is established, together with a stability condition on the time step size; 3) a modified first order scheme is proposed in order to decouple the calculation of the velocity and pressure in the fluid field. This new scheme equally preserves the non-negativity of the discrete concentration solution, and is stable under a similar stability condition; 4) a stabilization technique is introduced to make the above mentioned schemes stable without restriction condition on the time step size; 5) finally, we construct a second order finite difference scheme in time and spectral discretization in space. The numerical tests carried out in the paper show that all the proposed schemes possess some desirable properties, such as conditionally/unconditionally stability, first/second order convergence, non-negativity of the discrete concentrations, and so on.

In magnetically confined plasma research, the understandings of small and large perturbations at equilibrium are both critical for plasma controlling and steady state operation. Numerical simulations using original MHD model can hardly give clear picture for small perturbations, while non-conservative perturbed MHD model may break conservation law, and give unphysical results when perturbations grow large after long-time computation. In this paper, we present a nonlinear conservative perturbed MHD model by splitting primary variables in original MHD equations into equilibrium part and perturbed part, and apply an approach in the framework of discontinuous Galerkin (DG) spatial discretization for numerical solutions. This enables high resolution of very small perturbations, and also gives satisfactory non-smooth solutions for large perturbations, which are both broadly concerned in magnetically confined plasma research. Numerical examples demonstrate satisfactory performance of the proposed model clearly. For small perturbations, the results have higher resolution comparing with the original MHD model; for large perturbations, the non-smooth solutions match well with existing references, confirming reliability of the model for instability investigations in magnetically confined plasma numerical research.

We analyze in this paper the pressure splitting scheme of a partitioned semi-implicit coupling algorithm for fluid-structure interaction (FSI) simulation. The semi-implicit coupling algorithm is developed on the ground of the artificial compressibility characteristic-based split (AC-CBS) scheme that serves not only for the fluid subsystem but also for the global FSI system. As the dual-time stepping procedure recommended for quasi-incompressible flows is incorporated into the implicit coupling stage, the fluctuating pressure may be unusually susceptible to the AC coefficient. Moreover, it is not trivial to devise an optimal AC formulation for pressure estimation. Instead, we consider a stabilized second-order pressure splitting scheme in the AC-CBS-based partitioned semi-implicit coupling algorithm. Computer simulation of a benchmark FSI experiment demonstrates that good agreement is exposed between the available and present data.

We propose a simple, computationally efficient scheme for an X-ray spectrum simulator. The theoretical models describing the physical processes involved are employed in our Monte Carlo software in a coherent way, paving the way for straightforward future improvements. Our results compare satisfactorily to experimental results from literature and to results from dedicated simulation software. The simplicity, excellent statistical errors, and short execution time of our code recommend it for intensive use in X-ray generation simulations.