Residual‐based artificial viscosity for simulation of turbulent compressible flow using adaptive finite element methods

In this paper, we present a finite element method with a residual‐based artificial viscosity for simulation of turbulent compressible flow, with adaptive mesh refinement based on a posteriori error estimation with sensitivity information from an associated dual problem. The artificial viscosity acts as a numerical stabilization, as shock capturing, and as turbulence capturing for large eddy simulation of turbulent flow. The adaptive method resolves parts of the flow indicated by the a posteriori error estimates but leaves shocks and turbulence under‐resolved in a large eddy simulation. The method is tested for examples in 2D and 3D and is validated against experimental data. Copyright © 2012 John Wiley & Sons, Ltd.     

An anti‐diffusive volume of fluid method for interfacial fluid flows

A volume of fluid (VOF) method is developed combining a first‐order limited downwind scheme with higher order accurate schemes. The method is characterized by retaining a sharp fluid interface and a reduction in numerical diffusion near the interface, but avoids complicated geometrical reconstruction as occurs in most volume tracing algorithms. To demonstrate the accuracy and robustness of the method, a selection of numerical experiments are presented involving a pure advection problem, a water wave impact caused by a dam breaking and liquid sloshing in a partially filled tank. Copyright © 2011 John Wiley & Sons, Ltd.     

A simplified adaptive Cartesian grid system for solving the 2D shallow water equations

This paper presents a new simplified grid system that provides local refinement and dynamic adaptation for solving the 2D shallow water equations (SWEs). Local refinement is realized by simply specifying different subdivision levels to the cells on a background uniform coarse grid that covers the computational domain. On such a non‐uniform grid, the structured property of a regular Cartesian mesh is maintained and neighbor information is determined by simple algebraic relationships, i.e. data structure becomes unnecessary. Dynamic grid adaptation is achieved by changing the subdivision level of a background cell. Therefore, grid generation and adaptation is greatly simplified and straightforward to implement. The new adaptive grid‐based SWE solver is tested by applying it to simulate three idealized test cases and promising results are obtained. The new grid system offers a simplified alternative to the existing approaches for providing adaptive mesh refinement in computational fluid dynamics. Copyright © 2011 John Wiley & Sons, Ltd.     

CH4/空气简化动力学机理数值验证

选择绕圆柱预混燃烧算例，验证CH₄/空气三种简化动力学机理（16s41r、15s19r和53s325r）.考虑均匀来流，忽略湍流和湍流与燃烧相互作用以及燃料扩散效应，假设层流有限反应速率，采用保自由流5阶WENO格式求解多组分Euler方程组，得到CH₄/空气预混燃烧流场温度等值线、沿驻点线压力和温度及其CH₄、CO和CO₂质量百分数分布.结果表明：三种简化动力学机理给出的流场均出现弓形激波和火焰面，弓形激波和火焰驻点距离及其形状、诱导区宽度和简化动力学机理相关.当圆柱直径增大，弓形激波和火焰向圆柱上游移动，对应的驻点距离均增大，诱导区宽度变短，点火延时变小，但火焰和弓形激波位置次序未变化.53s325r模型要比16s41r模型和15s19r模型精度要高，点火延时覆盖的压力和温度范围也较宽，所有简化机理均未完全反应，在较大圆柱直径下游达到化学平衡.     

A three‐dimensional Cartesian cut cell method for incompressible viscous flow with irregular domains

A three‐dimensional Cartesion cut cell method is presented for the simulations of incompressible viscous flows with irregular domains. A new model (referred to as ‘6+N’ model) is proposed to describe arbitrarily shaped cut cells and treat all the cells as polyhedrons with 6+N faces. The finite volume discretization of the Navier–Stokes equation is then implemented by using the ‘6+N’ model to separate the surface flux integrals into two parts, that is, the fluxes through the basic face of the hexahedron and those through the cutting surfaces. The previously proposed Kitta Cube algorithm and volume computer‐aided design platform (J. Comput. Aided. Des. 2005; 37(4): 1509–1520. Doi:10.1016/j.cad.2005.03.006) are adopted to generate cut cells and provide shape data and physical attributes for the numerical analysis. A modified SIMPLE‐based smoothing pressure correction scheme is applied to suppress checkerboard pressure oscillations caused by the collocated arrangement of velocities and pressure. The calculation accuracy of the numerical method expressed by L₁ and L _∞ norm errors is first demonstrated by the simulation of a pipe flow. Then its feasibility, efficiency, and potential in engineering applications are verified by applying it to solve natural convections between concentric spheres and between eccentric spheres. The heat transfer patterns in eccentric spheres are also obtained by using the numerical method. Copyright © 2011 John Wiley & Sons, Ltd.     

Implementation of ADER scheme for a bore on an unsaturated permeable slope

The paper details the implementation of the Godunov‐type finite volume Arbitrary high order schemes using Derivatives (ADER) scheme for the case of a large source term in the continuity equation of the nonlinear shallow water equations. The particular application is the movement of a bore on a highly permeable slope. The large source term is caused by the infiltration into the initially unsaturated slope material. Infiltration is modelled as vertical downwards piston‐like flow with Forchheimer quadratic parameterisation of the resistance law. The corresponding ODE is solved using the fourth‐order Runge–Kutta method. The surface and subsurface flow models have been tested by comparison with analytical solutions. Example predictions of surface bore propagation and wetting front propagation are presented for a range of slope permeabilities. The effects of permeability on bore run‐up, water depths and velocities are illustrated. The ADER scheme is capable of handling the source term, including the extreme case when this term dominates the volume balance. Copyright © 2011 John Wiley & Sons, Ltd.     

Approximant crystals of icosahedral Mg–(Ga,Al)–Zn alloys

The zero field cooled (ZFC) and field cooled (FC) low-field magnetic moment m of a dense frozen ferrofluid containing Fe₅₅Co₄₅ particles of size 4.6nm in hexane exhibits irreversibility at temperatures T?T _b≈ 30?K. FC in μ ₀ H ≤ 1?T gives rise to shifted minor hysteresis loops below T _b. At T _c≈ 10?K, sharp peaks of m ^ZFC and of the ac susceptibility χ ′, a kink of the thermoremanent magnetic moment m ^TRM, a sizeable reduction of the coercive field H _c, and the appearance of a spontaneous moment m ^SFM indicate a phase transition with near mean-field critical behaviour of both m ^SFM and χ ′ . These features are explained within a core-shell model of nanoparticles, whose strongly disordered shells gradually become blocked below T _b, while their soft ferromagnetic cores couple dipolarly and become superferromagnetic (SFM) below T _c.     

An improved ensemble learning machine for biological activity prediction of tyrosine kinase inhibitors

Boosting is one of the most important strategies in ensemble learning because of its ability to improve the stability and performance of weak learners. It is nonparametric, multivariate, fast and interpretable but is not robust against outliers. To enhance its prediction accuracy as well as immunize it against outliers, a modified version of a boosting algorithm (AdaBoost R2) was developed and called AdaBoost R3. In the sampling step, extremum samples were added to the boosting set. In the robustness step, a modified Huber loss function was applied to overcome the outlier problem. In the output step, a deterministic threshold was used to guarantee that bad predictions do not participate in the final output. The performance of the modified algorithm was investigated with two anticancer data sets of tyrosine kinase inhibitors, and the mechanism of inhibition was studied using the relative weighted variable importance procedure. Investigating the effect of base learner's strength reveals that boosting is only successful using the classification and regression tree method (a weak to moderate learner) and does not have a significant effect using the radial basis functions partial least square method (a strong base learners). Copyright © 2015 John Wiley & Sons, Ltd.