A cell functional minimization scheme for parabolic problem

We are interested in a robust and accurate finite volume scheme for 2-D parabolic problems derived from the cell functional minimization approach. The scheme has a local stencil, is locally conservative, treats discontinuity rigorously and leads to a symmetric positive definite linear system. Since the scheme has both cell centered unknowns and cell edge unknowns, the computational cost is an issue and a parallel algorithm is then suggested based on nonoverlapping domain decomposition approach. The interface condition is of the Dirichlet–Robin type and has a parameter λ. By choosing this parameter properly, the convergence of the iteration process could be sped up. Numerical results for linear and nonlinear problems demonstrate the good performance of the cell functional minimization scheme and its parallel version on distorted meshes.     

A class of deformational flow test cases for linear transport problems on the sphere

A class of new benchmark deformational flow test cases for the two-dimensional horizontal linear transport problems on the sphere is proposed. The scalar field follows complex trajectories and undergoes severe deformation during the simulation; however, the flow reverses its course at half-time and the scalar field returns to its initial position and shape. This process makes the exact solution available at the end of the simulation, and facilitates assessment of the accuracy of the underlying transport scheme. A procedure to eliminate possible cancellations of errors when the flow reverses is proposed.     

A well‐balanced upstream flux‐splitting finite‐volume scheme for shallow‐water flow simulations with irregular bed topography

This study extends the upstream flux‐splitting finite‐volume (UFF) scheme to shallow water equations with source terms. Coupling the hydrostatic reconstruction method (HRM) with the UFF scheme achieves a resultant numerical scheme that adequately balances flux gradients and source terms. The proposed scheme is validated in three benchmark problems and applied to flood flows in the natural/irregular river with bridge pier obstructions. The results of the simulations are in satisfactory agreement with the available analytical solutions, experimental data and field measurements. Comparisons of the present results with those obtained by the surface gradient method (SGM) demonstrate the superior stability and higher accuracy of the HRM. The stability test results also show that the HRM requires less CPU time (up to 60%) than the SGM. The proposed well‐balanced UFF scheme is accurate, stable and efficient to solve flow problems involving irregular bed topography. Copyright © 2009 John Wiley & Sons, Ltd.     

Numerical simulation of core convection by a multi-layer semi-implicit spherical spectral method

A semi-implicit multi-layer spherical spectral method for simulating stellar core convection is described. The fully compressible three-dimensional hydrodynamic equations with rotation and energy generation are solved. Prognostic variables are expressed as finite sums of spherical harmonics in the horizontal directions and handled by the finite difference method in the radial direction. The stratified approximation is used to simplify the nonlinearity to quadratic. A multi-layer scheme is employed to overcome the time step problem arising from shrinking grid sizes in the physical space near the center of the star. Despite of the different spectral truncations in different layers, round-off conservation of the total mass and total angular momentum of the whole domain can be maintained, and were confirmed numerically. The code is parallelized; with 12 processors the speedup factor is about 9. The solutions of model core convection with and without rotation are discussed.     

Normal halogen dependence of 13C NMR chemical shifts of halogenomethanes revisited at the four‐component relativistic level

The ‘Normal Halogen Dependence’ of ¹³C NMR chemical shifts in the series of halogenomethanes is revisited at the four‐component relativistic level. Calculations of ¹³C NMR chemical shifts of 70 halogenomethanes have been carried out at the density functional theory (DFT) and MP2 levels with taking into account relativistic effects using the four‐component relativistic theory of Dirac‐Coulomb within the different computational methods (4RPA, 4OPW91) and hybrid computational schemes (MP2 + 4RPA, MP2 + 4OPW91). The most efficient computational protocols are derived for practical purposes. Relativistic shielding effect reaches as much as several hundreds of ppm for heavy halogenomethanes, and to account for this effect in comparison with experiment at the qualitative level, relativistic Dyall's basis sets of triple‐zeta quality or higher are to be used within the framework of the four‐component relativistic theory taking into account solvent effects. Relativistic geometrical optimization (as compared with the non‐relativistic level) is essential for the molecules containing at least two iodines at one carbon atom. Copyright © 2016 John Wiley & Sons, Ltd.     

Atom waveguide and 1D optical lattice using a two-color evanescent light field around an optical micro/nano-fiber

We propose a two-color scheme of atom waveguides and one-dimensional （1D） optical lattices using evanescent wave fields of different transverse modes around an optical micro/nano-fiber. The atom guide potential can be produced when the optical fiber carries a red-detuned light with TE01 mode and a blue-detuned light with HEll mode, and the 1D optical lattice potential can be produced when the red-detuned light is transformed to the superposition of the TE01 mode and HE11 mode. The two trapping potentials can be transformed to each other for accurately controlling mode transformation for the red-detuned light. This might provide a new approach to realize flexible transition between the guiding and trapping states of atoms.     

Terahertz optical asymmetric demultiplexer based tree-net architecture for all-optical conversion scheme from binary to its other 2n radix based form

To exploit the parallelism of optics in data processing,a suitable number system and an efficient encoding/decoding scheme for handling the data are very essential.In the field of optical computing and parallel information processing,several number systems like binary,quaternary,octal,hexadecimal,etc.have been used for different arithmetic and algebraic operations.Here,we have proposed an all-optical conversion scheme from its binary to its other 2n radix based form with the help of terahertz optical asymmetric demultiplexer (TOAD) based tree-net architecture.     

The independence of initial vectors in the subdivision schemes

Starting with an initial vector λ = (λ(κ))κ∈z ∈ ep(Z), the subdivision scheme generates asequence (Snaλ)∞n=1 of vectors by the subdivision operator Saλ(κ) = ∑λ(j)a(k - 2j), k ∈ Z. j∈zSubdivision schemes play an important role in computer graphics and wavelet analysis. It is very interesting tounderstand under what conditions the sequence (Snaλ)∞n=1 converges to an Lp-function in an appropriate sense.This problem has been studied extensively. In this paper we show that the subdivision scheme converges forany initial vector in ep(Z) provided that it does for one nonzero vector in that space. Moreover, if the integertranslates of the refinable function are stable, the smoothness of the limit function corresponding to the vectorλ is also independent of λ.     

Finite Group Schemes over Bases with Low Ramification

Let A be a complete characteristic (0,p) discrete valuation ring with absolute ramification degree e and a perfect residue field. We are interested in studying the category FF _A' of finite flat commutative group schemes over A withp-power order. When e= 1, Fontaine formulated the purely linear algebra notion of a finite Honda system over A and constructed an anti-equivalence of categories betweenineFF _A'> and the category of finite Honda systems over A when p> 2. We generalize this theory to the case e – 1.     

The Osher scheme for non-equilibrium reacting flows

An extension of the Osher upwind scheme to non-equilibrium reacting flows is presented, Owing to the presence of source terms, the Riemann problem is no longer self-similar and therefore its approximate solution becomes tedious. With simplicity in mind, a linearized approach which avoids an iterative solution is used to define the intermediate states and sonic points. The source terms are treated explicitly. Numerical computations are presented to demonstrate the feasibility, efficiency and accuracy of the proposed method. The test problems include a ZND (Zeldovich-Neumann-Doring) detonation problem for which spurious numerical solutions which propagate at mesh speed have been observed on coarse grids. With the present method, a change of limiter causes the solution to change from the physically correct CJ detonation solution to the spurious weak detonation solution.