Short Communication: Application of WENO (Weighted Essentially Non-oscillatory) Approach to Navier–Stokes Computations

The direct implementation of the essentially non-oscillatory schemes for flow simulation over complex geometries sometimes results in insufficiently robust numerical algorithms. In order to overcome this difficulty, it is suggested to use the weighted essentially non-oscillatory approach for multidimensional Navier–Stokes computations. The results indicate a significant improvement in accuracy and robustness, especially for low Mach and high supersonic flows.     

A new well‐balanced Hermite weighted essentially non‐oscillatory scheme for shallow water equations

Hermite weighted essentially non‐oscillatory (HWENO) methods were introduced in the literature, in the context of Euler equations for gas dynamics, to obtain high‐order accuracy schemes characterized by high compactness (e.g. Qiu and Shu, J. Comput. Phys. 2003; 193 :115). For example, classical fifth‐order weighted essentially non‐oscillatory (WENO) reconstructions are based on a five‐cell stencil whereas the corresponding HWENO reconstructions are based on a narrower three‐cell stencil. The compactness of the schemes allows easier treatment of the boundary conditions and of the internal interfaces. To obtain this compactness in HWENO schemes both the conservative variables and their first derivatives are evolved in time, whereas in the original WENO schemes only the conservative variables are evolved. In this work, an HWENO method is applied for the first time to the shallow water equations (SWEs), including the source term due to the bottom slope, to obtain a fourth‐order accurate well‐balanced compact scheme. Time integration is performed by a strong stability preserving the Runge–Kutta method, which is a five‐step and fourth‐order accurate method. Besides the classical SWE, the non‐homogeneous equations describing the time and space evolution of the conservative variable derivatives are considered here. An original, well‐balanced treatment of the source term involved in such equations is developed and tested. Several standard one‐dimensional test cases are used to verify the high‐order accuracy, the C‐property and the good resolution properties of the model. Copyright © 2010 John Wiley & Sons, Ltd.     

High‐order finite difference schemes for incompressible flows

This paper presents a new high‐order approach to the numerical solution of the incompressible Stokes and Navier–Stokes equations. The class of schemes developed is based upon a velocity–pressure–pressure gradient formulation, which allows: (i) high‐order finite difference stencils to be applied on non‐staggered grids; (ii) high‐order pressure gradient approximations to be made using standard Padé schemes, and (iii) a variety of boundary conditions to be incorporated in a natural manner. Results are presented in detail for a selection of two‐dimensional steady‐state test problems, using the fourth‐order scheme to demonstrate the accuracy and the robustness of the proposed methods. Furthermore, extensions to higher orders and time‐dependent problems are illustrated, whereas the extension to three‐dimensional problems is also discussed. Copyright © 2010 John Wiley & Sons, Ltd.     

Sobolev方程一个新的H~1-Galerkin混合有限元分析

研究了Sobolev方程的H~1-Galerkin混合有限元方法.利用不完全双二次元Q_2~-和一阶BDFM元,建立了一个新的混合元模式,通过Bramble-Hilbert引理,证明了单元对应的插值算子具有的高精度结果.进一步,对于半离散和向后欧拉全离散格式,分别导出了原始变量u在H~1-模和中间变量p在H(div)-模意义下的超逼近性质.     

An energy‐preserving Crank–Nicolson Galerkin method for Hamiltonian partial differential equations

A semidiscretization based method for solving Hamiltonian partial differential equations is proposed in this article. Our key idea consists of two approaches. First, the underlying equation is discretized in space via a selected finite element method and the Hamiltonian PDE can thus be casted to Hamiltonian ODEs based on the weak formulation of the system. Second, the resulting ordinary differential system is solved by an energy‐preserving integrator. The relay leads to a fully discretized and energy‐preserved scheme. This strategy is fully realized for solving a nonlinear Schrödinger equation through a combination of the Galerkin discretization in space and a Crank–Nicolson scheme in time. The order of convergence of our new method is if the discrete L²‐norm is employed. An error estimate is acquired and analyzed without grid ratio restrictions. Numerical examples are given to further illustrate the conservation and convergence of the energy‐preserving scheme constructed.© 2016 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 32: 1485–1504, 2016     

一类非线性四阶双曲方程扩展的混合元方法的超收敛分析

对一类非线性四阶双曲方程利用双线性元Q_(1)及Nedelec's元建立一个扩展的协调混合元逼近格式.首先证明了逼近解的存在唯一性.其次,基于上述两个单元的高精度结果,给出了插值和投影之间的误差估计,再利用对时间t的导数转移技巧和插值后处理技术,在半离散和全离散格式下分别导出了原始变量u和中间变量v=-△u在H~1模及中间变量q=▽u,σ=-▽(△u)在(L~2)~2模意义下单独利用插值和投影所无法得到的具有O(h~2)和O(h~2+τ~2)阶的超收敛结果.最后通过数值算例,表明逼近格式是行之有效的.这里,h和τ分别表示空间剖分参数及时间步长.     

Rivality index neighbourhood algorithm with density and distances weighted schemes for the building of robust QSAR classification models with high reliable applicability domain

The rivality index (RI) is a normalized distance measurement between a molecule and their first nearest neighbours providing a robust prediction of the activity of a molecule based on the known activity of their nearest neighbours. Negative values of the RI describe molecules that would be correctly classified by a statistic algorithm and, vice versa, positive values of this index describe those molecules detected as outliers by the classification algorithms. In this paper, we have described a classification algorithm based on the RI and we have proposed four weighted schemes (kernels) for its calculation based on the measuring of different characteristics of the neighbourhood of molecules for each molecule of the dataset at established values of the threshold of neighbours. The results obtained have demonstrated that the proposed classification algorithm, based on the RI, generates more reliable and robust classification models than many of the more used and well-known machine learning algorithms. These results have been validated and corroborated by using 20 balanced and unbalanced benchmark datasets of different sizes and modelability. The classification models generated provide valuable information about the molecules of the dataset, the applicability domain of the models and the reliability of the predictions.     

Mathematical analysis of autonomous and non-autonomous age-structured reaction-diffusion-advection population model

In this paper, we study an age-structured reaction-diffusion-advection population model. First, we use a non-densely defined operator to the linear age-structured reaction-diffusion-advection population model in a patchy environment. By spectral analysis, we obtain the asynchronous exponential growth of the population model. Then we consider nonlinear death rate and birth rate, which all depend on the function related to the generalized total population, and we prove the existence of a steady state of the system. Finally, we study the age-structured reaction-diffusion-advection population model in non-autonomous situations. We give the comparison principle and prove the eventual compactness of semiflow by using integrated semigroup. We also prove the existence of compact attractors under the periodic situation.     

New Sixth-Order Compact Schemes for Poisson/Helmholtz Equations

Some new sixth-order compact finite difference schemes for Poisson/Helmholtz equations on rectangular domains in both two- and three-dimensions are developed and analyzed. Different from a few sixth-order compact finite difference schemes in the literature, the finite difference and weight coefficients of the new methods have analytic simple expressions. One of the new ideas is to use a weighted combination of the source term at staggered grid points which is important for grid points near the boundary and avoids partial derivatives of the source term. Furthermore, the new compact schemes are exact for 2D and 3D Poisson equations if the solution is a polynomial less than or equal to 6. The coefficient matrices of the new schemes are $M$-matrices for Helmholtz equations with wave number $K≤0,$ which guarantee the discrete maximum principle and lead to the convergence of the new sixth-order compact schemes. Numerical examples in both 2D and 3D are presented to verify the effectiveness of the proposed schemes.