A control volume finite element method for three-dimensional three-phase flows

A novel control volume finite element method with adaptive anisotropic unstructured meshes is presented for three-dimensional three-phase flows with interfacial tension. The numerical framework consists of a mixed control volume and finite element formulation with a new P₁DG-P₂ elements (linear discontinuous velocity between elements and quadratic continuous pressure between elements). A “volume of fluid” type method is used for the interface capturing, which is based on compressive control volume advection and second-order finite element methods. A force-balanced continuum surface force model is employed for the interfacial tension on unstructured meshes. The interfacial tension coefficient decomposition method is also used to deal with interfacial tension pairings between different phases. Numerical examples of benchmark tests and the dynamics of three-dimensional three-phase rising bubble, and droplet impact are presented. The results are compared with the analytical solutions and previously published experimental data, demonstrating the capability of the present method.     

A study of properties of adaptive quadratic grids for three-dimensional near-surface field computations

Curved geometries and the corresponding near-surface fields typically require a large number of linear computational elements. High-order numerical solvers have been primarily used with low-order meshes. There is a need for curved, high-order computational elements. Typical near-surface meshes consist of hexahedral and/or prismatic elements. The present work studies the employment of quadratic meshes that are relatively coarse for field simulations. Directionally quadratic high-order elements are proposed for the near-surface field regions. The quadratic meshes are compared with the conventional low-order ones in terms of accuracy and efficiency. The cases considered include closed surface volume calculations, as well as computation of gradients of several analytic fields. A special method of adaptive local quadratic meshes is proposed and evaluated. Truncation error analysis for quadratic grids yields comparison with the conventional linear hexahedral/prismatic meshes, which are subject to typical distortions such as stretching, skewness, and torsion.     

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.     

Assessment of different reconstruction techniques for implementing the NVSF schemes on unstructured meshes

Three new far‐upwind reconstruction techniques, New‐Technique 1, 2, and 3, are proposed in this paper, which localize the normalized variable and space formulation (NVSF) schemes and facilitate the implementation of standard bounded high‐resolution differencing schemes on arbitrary unstructured meshes. By theoretical analysis, it is concluded that the three new techniques overcome two inherent drawbacks of the original technique found in the literature. Eleven classic high‐resolution NVSF schemes developed in the past decades are selected to evaluate performances of the three new techniques relative to the original technique. Under the circumstances of arbitrary unstructured meshes, stretched meshes, and uniform triangular meshes, for each NVSF scheme, the accuracies and convergence properties, when implementing the four aforementioned far‐upwind reconstruction techniques respectively, are assessed by the pure convection of several scalar profiles. The numerical results clearly show that New‐Technique‐2 leads to a better performance in terms of overall accuracy and convergence behavior for the 11 NVSF schemes. Copyright © 2013 John Wiley & Sons, Ltd.     

Surface Trapping and STM Observation of Conformational Isomers of a Bis(Terpyridine) Ligand from Metallosupramolecular Grids

Tetranuclear Co‐grid complexes incorporating bis‐tridentate ligands, namely 4,6‐bis(2,2′‐bipyrid‐6‐yl)‐2‐phenylpyrimidine, were electrosprayed onto a Au(111) substrate under an ultrahigh vacuum. Fragmentation occurs leaving the ligands in four different conformations. Most ligands are found to form H‐bonded dimers. The most abundant conformer of the ligand on the Au surface is an asymmetric form, which has not been observed before. The present results indicate that the fragmentation of coordination compounds during the deposition process, in principle, allows for surface trapping, identification, and investigation of high energy, out‐of‐equilibrium conformations of the ligand molecules at low temperatures, which otherwise would not be observable.     

Effect of Free‐Stream Turbulence on the Flow Structure near a Wedge and the Windward Side of an Airfoil

The flow structure behind wire grids is studied for flows with a low subsonic velocity, and the effect of grids on the boundarylayer flow structure is considered. It is shown that the meanvelocity inhomogeneity induced by the grid does not disappear until a distance of 925 calibers downstream of the grid is reached. Liquidcrystal thermography combined with hotwire measurements made it possible to find the source of steady largescale streamwise vortex structures in the boundary layer on a wedge and on an airfoil and to determine the parameters of these structures.     

Viscous waves and wave-structure interaction in a tank using adapting quadtree grids

Viscous waves and waves over a submerged cylinder in a stationary tank are simulated using a volume-of-fluid numerical scheme on adaptive hierarchical grids. A high resolution interface-capturing method is used to advect the free surface interface and the Navier–Stokes equations are discretised using finite volumes with collocated primitive variables and solved using a Pressure Implicit with Splitting of Operators (PISO) algorithm. The cylinder is modelled by using the technique of Cartesian cut cells. Results of flow of a single fluid past a cylinder at Reynolds number Re=100 are presented and found to agree well with experimental and other numerical data. Viscous free surface waves in a tank are simulated using uniform and quadtree grids for Reynolds numbers in the range from 2 to 2000, and the results compared against analytical solutions where available. The quadtree-based results are of the same accuracy as those on the equivalent uniform grids, and retain a sharp interface at the free surface while leading to considerable savings in both storage and CPU requirements. The nonlinearity in the wave is investigated for a selection of initial wave amplitudes. A submerged cylinder is positioned in the tank and its influence on the waves as well as the hydrodynamic loading on the cylinder is investigated.     

基于非结构化同位网格的SIMPLE算法

通过基于非结构化网格的有限体积法对二维稳态Navier—Stokes方程进行了数值求解。其中对流项采用延迟修正的二阶格式进行离散；扩散项的离散采用二阶中心差分格式；对于压力-速度耦合利用SIMPLE算法进行处理；计算节点的布置采用同位网格技术，界面流速通过动量插值确定。本文对方腔驱动流、倾斜腔驱动流和圆柱外部绕流问题进行了计算，讨论了非结构化同位网格有限体积法在实现SIMPLE算法时，迭代次数与欠松弛系数的关系、不同网格情况的收敛性、同结构化网格的对比以及流场尾迹结构。通过和以往结果比较可知，本文的方法是准确和可信的。     

Adaptive unstructured finite element method for two-dimensional detonation simulations

A non-equilibrium reacting flow methodology has been added to a conservative, monotonic, compressible flow solver to allow numerical simulations of gas detonations. This flow solver incorporates unstructured dynamically adaptive meshes with the Finite Element Method – Flux Corrected Transport (FEM-FCT) scheme, which has shown excellent predictive capability of various non-reacting compressible flows. A two-step induction parameter model was used to model the combustion of the gas phase coupled with an energy release equation which was simulated with a point implicit finite element scheme. This combustion model was then applied to a two-dimensional detonation test case of a hypothetical fuel:oxygen mixture. The detonation simulation yielded two transverse waves which continued to propagate. This feature and the detonation shock speed mean and fluctuations were found to be grid-independent based on a resolution of about twenty elements within the average induction length. The resolution was efficiently achieved with the unstructured dynamically adaptive finite elements, which were three orders of magnitude less in number then required for uniform discretization. Received 26 August 1996 / Accepted 31 March 1997