A mass conservative well‐balanced reconstruction at wet/dry interfaces for the Godunov‐type shallow water model

This paper presents a novel mass conservative, positivity preserving wetting and drying treatment for Godunov‐type shallow water models with second‐order bed elevation discretization. The novel method allows to compute water depths equal to machine accuracy without any restrictions on the time step or any threshold that defines whether the finite volume cell is considered to be wet or dry. The resulting scheme is second‐order accurate in space and keeps the C‐property condition at fully flooded area and also at the wet/dry interface. For the time integration, a second‐order accurate Runge–Kutta method is used. The method is tested in two well‐known computational benchmarks for which an analytical solution can be derived, a C‐property benchmark and in an additional example where the experimental results are reproduced. Overall, the presented scheme shows very good agreement with the reference solutions. The method can also be used in the discontinuous Galerkin method. Copyright © 2016 John Wiley & Sons, Ltd.     

Issue Information

An integrated finite element method (FEM) is proposed to simulate incompressible two‐phase flows with surface tension effects, and three different surface tension models are applied to the FEM to investigate spurious currents and temporal stability. A Q2Q1 element is adopted to solve the continuity and Navier–Stokes equations and a Q2‐iso‐Q1 to solve the level set equation. The integrated FEM solves pressure and velocity simultaneously in a strongly coupled manner; the level set function is reinitialized by adopting a direct approach using interfacial geometry information instead of solving a conventional hyperbolic‐type equation. In addition, a consistent continuum surface force (consistent CSF) model is utilized by employing the same basis function for both surface tension and pressure variables to damp out spurious currents and to estimate the accurate pressure distribution. The model is further represented as a semi‐implicit manner to improve temporal stability with an increased time step. In order to verify the accuracy and robustness of the code, the present method is applied to a few benchmark problems of the static bubble and rising bubble with large density and viscosity ratios. The Q2Q1‐integrated FEM coupled with the semi‐implicit consistent CSF demonstrates the significantly reduced spurious currents and improved temporal stability. The numerical results are in good qualitative and quantitative agreements with those of the existing studies. Copyright © 2015 John Wiley & Sons, Ltd.     

A mass‐conservative staggered immersed boundary model for solving the shallow water equations on complex geometries

In this work, an approach is proposed for solving the 3D shallow water equations with embedded boundaries that are not aligned with the underlying horizontal Cartesian grid. A hybrid cut‐cell/ghost‐cell method is used together with a direction‐splitting implicit solver: Ghost cells are used for the momentum equations in order to prescribe the correct boundary condition at the immersed boundary, while cut cells are used in the continuity equation in order to conserve mass. The resulting scheme is robust, does not suffer any time step limitation for small cut cells, and conserves fluid mass up to machine precision. Moreover, the solver displays a second‐order spatial accuracy, both globally and locally. Comparisons with analytical solutions and reference numerical solutions on curvilinear grids confirm the quality of the method. Copyright © 2015 John Wiley & Sons, Ltd.     

Likelihood Inference under Generalized Hybrid Censoring Scheme with Comp eting Risks

Statistical inference is developed for the analysis of generalized type-II hybrid censoring data under exponential competing risks model. In order to solve the problem that approximate methods make unsatisfactory performances in the case of small sample size, we establish the exact conditional distributions of estimators for parameters by conditional moment generating function(CMGF). Furthermore, confidence intervals(CIs) are constructed by exact distributions, approximate distributions as well as bootstrap method respectively, and their performances are evaluated by Monte Carlo simulations. And finally, a real data set is analyzed to illustrate all the methods developed here.     

An accurate pressure–velocity decoupling technique for semi‐implicit rotational projection methods

In this paper, an accurate semi‐implicit rotational projection method is introduced to solve the Navier–Stokes equations for incompressible flow simulations. The accuracy of the fractional step procedure is investigated for the standard finite‐difference method, and the discrete forms are presented with arbitrary orders or accuracy. In contrast to the previous semi‐implicit projection methods, herein, an alternative way is proposed to decouple pressure from the momentum equation by employing the principle form of the pressure Poisson equation. This equation is based on the divergence of the convective terms and incorporates the actual pressure in the simulations. As a result, the accuracy of the method is not affected by the common choice of the pseudo‐pressure in the previous methods. Also, the velocity correction step is redefined, and boundary conditions are introduced accordingly. Several numerical tests are conducted to assess the robustness of the method for second and fourth orders of accuracy. The results are compared with the solutions obtained from a typical high‐resolution fully explicit method and available benchmark reports. Herein, the numerical tests are consisting of simulations for the Taylor–Green vortex, lid‐driven square cavity, and vortex–wall interaction. It is shown that the present method can preserve the order of accuracy for both velocity and pressure fields in second‐order and high‐order simulations. Furthermore, a very good agreement is observed between the results of the present method and benchmark simulations. Copyright © 2016 John Wiley & Sons, Ltd.     

Substitution effects in the 15N NMR chemical shifts of heterocyclic azines evaluated at the GIAO‐DFT level

A systematic study of the accuracy factors for the computation of ¹⁵N NMR chemical shifts in comparison with available experiment in the series of 72 diverse heterocyclic azines substituted with a classical series of substituents (CH₃, F, Cl, Br, NH₂, OCH₃, SCH₃, COCH₃, CONH₂, COOH, and CN) providing marked electronic σ‐ and π‐electronic effects and strongly affecting ¹⁵N NMR chemical shifts is performed. The best computational scheme for heterocyclic azines at the DFT level was found to be KT3/pcS‐3//pc‐2 (IEF‐PCM). A vast amount of unknown ¹⁵N NMR chemical shifts was predicted using the best computational protocol for substituted heterocyclic azines, especially for trizine, tetrazine, and pentazine where experimental ¹⁵N NMR chemical shifts are almost totally unknown throughout the series. It was found that substitution effects in the classical series of substituents providing typical σ‐ and π‐electronic effects followed the expected trends, as derived from the correlations of experimental and calculated ¹⁵N NMR chemical shifts with Swain–Lupton's F and R constants.     

A new numerical model for simulations of wave transformation,breaking and long‐shore currents in complex coastal regions

In this paper, we propose a model based on a new contravariant integral form of the fully nonlinear Boussinesq equations in order to simulate wave transformation phenomena, wave breaking, and nearshore currents in computational domains representing the complex morphology of real coastal regions. The aforementioned contravariant integral form, in which Christoffel symbols are absent, is characterized by the fact that the continuity equation does not include any dispersive term. A procedure developed in order to correct errors related to the difficulties of numerically satisfying the metric identities in the numerical integration of fully nonlinear Boussinesq equation on generalized boundary‐conforming grids is presented. The Boussinesq equation system is numerically solved by a hybrid finite volume–finite difference scheme. The proposed high‐order upwind weighted essentially non‐oscillatory finite volume scheme involves an exact Riemann solver and is based on a genuinely two‐dimensional reconstruction procedure, which uses a convex combination of biquadratic polynomials. The wave breaking is represented by discontinuities of the weak solution of the integral form of the nonlinear shallow water equations. The capacity of the proposed model to correctly represent wave propagation, wave breaking, and wave‐induced currents is verified against test cases present in the literature. The results obtained are compared with experimental measures, analytical solutions, or alternative numerical solutions. Copyright © 2015 John Wiley & Sons, Ltd.     

A class of finite difference schemes for interface problems with an HOC approach

In this paper, we propose a new methodology for numerically solving elliptic and parabolic equations with discontinuous coefficients and singular source terms. This new scheme is obtained by clubbing a recently developed higher‐order compact methodology with special interface treatment for the points just next to the points of discontinuity. The overall order of accuracy of the scheme is at least second. We first formulate the scheme for one‐dimensional (1D) problems, and then extend it directly to two‐dimensional (2D) problems in polar coordinates. In the process, we also perform convergence and related analysis for both the cases. Finally, we show a new direction of implementing the methodology to 2D problems in cartesian coordinates. We then conduct numerous numerical studies on a number of problems, both for 1D and 2D cases, including the flow past circular cylinder governed by the incompressible Navier–Stokes equations. We compare our results with existing numerical and experimental results. In all the cases, our formulation is found to produce better results on coarser grids. For the circular cylinder problem, the scheme used is seen to capture all the flow characteristics including the famous von Kármán vortex street. Copyright © 2016 John Wiley & Sons, Ltd.     

A vertex‐centered linearity‐preserving discretization of diffusion problems on polygonal meshes

This paper introduces a vertex‐centered linearity‐preserving finite volume scheme for the heterogeneous anisotropic diffusion equations on general polygonal meshes. The unknowns of this scheme are purely the values at the mesh vertices, and no auxiliary unknowns are utilized. The scheme is locally conservative with respect to the dual mesh, captures exactly the linear solutions, leads to a symmetric positive definite matrix, and yields a nine‐point stencil on structured quadrilateral meshes. The coercivity of the scheme is rigorously analyzed on arbitrary mesh size under some weak geometry assumptions. Also, the relation with the finite volume element method is discussed. Finally, some numerical tests show the optimal convergence rates for the discrete solution and flux on various mesh types and for various diffusion tensors. Copyright © 2015 John Wiley & Sons, Ltd.