Analysis of and numerical schemes for a mouse population model in Hantavirus epidemics

This paper considers a non-linear system of ordinary differential equations, which arises in the study of hantavirus epidemics. The system has the property that the total population obeys the logistic equation. For this system, we use linearization and the dynamical properties of the logistic equation to analyze the dynamics of the subpopulation system. In view of the usual numerical instabilities associated with standard finite difference methods used for simulating such systems, we construct non-standard finite difference (NSFD) schemes, which preserve the dynamic properties of the system, and may therefore be used for its simulation.     

Relativistic symmetries in the Rosen-Morse potential and tensor interaction using the Nikiforov-Uvarov method

Approximate analytical bound-state solutions of the Dirac particle in the fields of attractive and repulsive Rosen- Morse (RM) potentials including the Coulomb-like tensor (CLT) potential are obtained for arbitrary spin-orbit quantum number κ. The Pekeris approximation is used to deal with the spin-orbit coupling terms κ(κ± 1)r 2 . In the presence of exact spin and pseudospin (p-spin) symmetries, the energy eigenvalues and the corresponding normalized two-component wave functions are found by using the parametric generalization of the Nikiforov-Uvarov (NU) method. The numerical results show that the CLT interaction removes degeneracies between the spin and p-spin state doublets.     

New higher-order compact finite difference schemes for 1D heat conduction equations

In this paper, we present two higher-order compact finite difference schemes for solving one-dimensional (1D) heat conduction equations with Dirichlet and Neumann boundary conditions, respectively. In particular, we delicately adjust the location of the interior grid point that is next to the boundary so that the Dirichlet or Neumann boundary condition can be applied directly without discretization, and at the same time, the fifth or sixth-order compact finite difference approximations at the grid point can be obtained. On the other hand, an eighth-order compact finite difference approximation is employed for the spatial derivative at other interior grid points. Combined with the Crank–Nicholson finite difference method and Richardson extrapolation, the overall scheme can be unconditionally stable and provides much more accurate numerical solutions. Numerical errors and convergence rates of these two schemes are tested by two examples.     

EQ 1 rot nonconforming finite element method for nonlinear dual phase lagging heat conduction equations

EQ rot 1 nonconforming finite element approximation to a class of nonlinear dual phase lagging heat conduction equations is discussed for semi-discrete and fully-discrete schemes. By use of a special property, that is, the consistency error of this element is of order O(h2 ) one order higher than its interpolation error O(h), the superclose results of order O(h2 ) in broken H1 -norm are obtained. At the same time, the global superconvergence in broken H1 -norm is deduced by interpolation postprocessing technique. Moreover, the extrapolation result with order O(h4 ) is derived by constructing a new interpolation postprocessing operator and extrapolation scheme based on the known asymptotic expansion formulas of EQ rot 1 element. Finally, optimal error estimate is gained for a proposed fully-discrete scheme by different approaches from the previous literature.     

Elliptic PDE formulation and boundary conditions of the spherical harmonics method of arbitrary order for general three-dimensional geometries

The inherent complexity of the radiative transfer equation makes the exact treatment of radiative heat transfer impossible even for idealized situations and simple boundary conditions. Therefore, a wide variety of efficient solution methods have been developed for the RTE. Among these solution methods the spherical harmonics method, the moment method, and the discrete ordinates method provide means to obtain higher-order approximate solutions to the equation of radiative transfer. Although the assembly of the governing equations for the spherical harmonics method requires tedious algebra, their final form promises great accuracy for any given order, since it is a spectral method (rather than finite difference/finite volume in the case of discrete ordinates). In this study, a new methodology outlined in a previous paper on the spherical harmonics method (P_N) is further developed. The new methodology employs successive elimination of spherical harmonic tensors, thus reducing the number of first-order partial differential equations needed to be solved simultaneously by previous P_N approximations (=(N+1)²). The result is a relatively small set (=N(N+1)/2) of second-order, elliptic partial differential equations, which can be solved with standard PDE solution packages. General boundary conditions and supplementary conditions using rotation of spherical harmonics in terms of local coordinates are formulated for the general P_N approximation for arbitrary three-dimensional geometries. Accuracy of the P_N approximation can be further improved by applying the “modified differential approximation” approach first developed for the P₁-approximation. Numerical computations are carried out with the P₃ approximation for several new two-dimensional problems with emitting, absorbing, and scattering media. Results are compared to Monte Carlo solutions and discrete ordinates simulations and a discussion of ray effects and false scattering is provided.     

A comparison of spatial discretization schemes for differential solution methods of the radiative transfer equation

A comparison of discretization schemes required to evaluate the radiation intensity at the cell faces of a control volume in differential solution methods of the radiative transfer equation is presented. Several schemes developed using the normalized variable diagram and the total variation diminishing formalisms are compared along with essentially non-oscillatory schemes and genuinely multidimensional schemes. The calculations were carried out using the discrete ordinates method, but the analysis is equally valid for the finite-volume method. It is shown that the S schemes of the genuinely multidimensional family perform quite well, particularly in problems with discontinuous radiation intensity fields. However, they are time consuming, and so they do not always become more attractive regarding the trade-off between accuracy and computational requirements, in comparison with other high-order schemes that, although being less accurate, are also more economical.     

Numerical simulation of transpiration cooling through porous material

Transpiration cooling using ceramic matrix composite materials is an innovative concept for cooling rocket thrust chambers. The coolant (air) is driven through the porous material by a pressure difference between the coolant reservoir and the turbulent hot gas flow. The effectiveness of such cooling strategies relies on a proper choice of the involved process parameters such as injection pressure, blowing ratios, and material structure parameters, to name only a few. In view of the limited experimental access to the subtle processes occurring at the interface between hot gas flow and porous medium, reliable and accurate simulations become an increasingly important design tool. In order to facilitate such numerical simulations for a carbon/carbon material mounted in the side wall of a hot gas channel that are able to capture a spatially varying interplay between the hot gas flow and the coolant at the interface, we formulate a model for the porous medium flow of Darcy–Forchheimer type. A finite‐element solver for the corresponding porous medium flow is presented and coupled with a finite‐volume solver for the compressible Reynolds‐averaged Navier–Stokes equations. The two‐dimensional and three‐dimensional results at Mach number Ma = 0.5 and hot gas temperature T_HG=540 K for different blowing ratios are compared with experimental data. Copyright © 2014 John Wiley & Sons, Ltd.     

High‐order ADER‐WENO ALE schemes on unstructured triangular meshes—application of several node solvers to hydrodynamics and magnetohydrodynamics

In this paper, we present a class of high‐order accurate cell‐centered arbitrary Lagrangian–Eulerian (ALE) one‐step ADER weighted essentially non‐oscillatory (WENO) finite volume schemes for the solution of nonlinear hyperbolic conservation laws on two‐dimensional unstructured triangular meshes. High order of accuracy in space is achieved by a WENO reconstruction algorithm, while a local space–time Galerkin predictor allows the schemes to be high order accurate also in time by using an element‐local weak formulation of the governing PDE on moving meshes. The mesh motion can be computed by choosing among three different node solvers, which are for the first time compared with each other in this article: the node velocity may be obtained either (i) as an arithmetic average among the states surrounding the node, as suggested by Cheng and Shu, or (ii) as a solution of multiple one‐dimensional half‐Riemann problems around a vertex, as suggested by Maire, or (iii) by solving approximately a multidimensional Riemann problem around each vertex of the mesh using the genuinely multidimensional Harten–Lax–van Leer Riemann solver recently proposed by Balsara et al. Once the vertex velocity and thus the new node location have been determined by the node solver, the local mesh motion is then constructed by straight edges connecting the vertex positions at the old time level tⁿ with the new ones at the next time level t^{n + 1}. If necessary, a rezoning step can be introduced here to overcome mesh tangling or highly deformed elements. The final ALE finite volume scheme is based directly on a space–time conservation formulation of the governing PDE system, which therefore makes an additional remapping stage unnecessary, as the ALE fluxes already properly take into account the rezoned geometry. In this sense, our scheme falls into the category of direct ALE methods. Furthermore, the geometric conservation law is satisfied by the scheme by construction. We apply the high‐order algorithm presented in this paper to the Euler equations of compressible gas dynamics as well as to the ideal classical and relativistic magnetohydrodynamic equations. We show numerical convergence results up to fifth order of accuracy in space and time together with some classical numerical test problems for each hyperbolic system under consideration. Copyright © 2014 John Wiley & Sons, Ltd.     

A continuity property of multivariate Lagrange interpolation

Let be a sequence of interpolation schemes in of degree (i.e. for each one has unique interpolation by a polynomial of total degree and total order . Suppose that the points of tend to as and the Lagrange-Hermite interpolants, , satisfy for all monomials with . Theorem: for all functions of class in a neighborhood of . (Here denotes the Taylor series of at 0 to order .) Specific examples are given to show the optimality of this result.

     

Internal and external eigenvalue problems of Hermitian operators and their use in electronic structure theory

Within the fragment resolution of molecular systems the conceptual and interpretative advantages of using the separate eigenvalue problems for the internal and external part of the Hermitian matrix representing a physical quantity in quantum mechanics are examined. By definition, these two parts accordingly combine only the diagonal and off-diagonal subsystem-resolved blocks of matrix elements. These two partial eigenvalue problems bring about the matrix internal or external decouplings, respectively, which have recently been used in several interpretations of the molecular electronic structure. A character and structure of the external eigensolutions is examined in some detail and their recent applications in the Charge Sensitivity Analysis—to extract the most important electron-transfer effects between constituent atoms of model chemisorption systems, and in the Molecular-Orbital theory—to precisely identify the inter-orbital flows of electrons, are summarized and commented upon. The grouping relation, for combining the external/internal eigensolutions into those for the whole matrix, is derived in the context of the complementary “rotations” of the basis set vectors.