A cost‐effective curvature calculation approach for interfacial flows on unstructured meshes

We present a simple and cost‐effective curvature calculation approach for simulations of interfacial flows on structured and unstructured grids. The interface is defined using volume fractions, and the interface curvature is obtained as a function of the gradients of volume fractions. The gradient computation is based on a recently proposed gradient recovery method that mimicks the least squares approach without the need to solve a system of equations and is quite easy to implement on arbitrary polygonal meshes. The resulting interface curvature is used in a continuum surface force formulation within the framework of a well‐balanced finite‐volume algorithm to simulate multiphase flows dominated by surface tension. We show that the proposed curvature calculation is at least as accurate as some of the existing approaches on unstructured meshes while being straightforward to implement on any mesh topology. Numerical investigations also show that spurious currents in stationary problems that are dependent on the curvature calculation methodology are also acceptably low using the proposed approach. Studies on capillary waves and rising bubbles in viscous flows lend credence to the ability of the proposed method as an inexpensive, robust, and reasonably accurate approach for curvature calculation and numerical simulation of multiphase flows.     

Comparison of implicit and explicit AUSM‐family schemes for compressible multiphase flows

This paper makes the first attempt of extending implicit AUSM‐family schemes to multiphase flow simulations. Water faucet, air–water shock tube and oscillating manometer problems are used as benchmark tests with the generic four‐equation two‐fluid model. For solving the equations implicitly, Newton's method along with a sparse matrix solver (UMFPACK solver) is employed, and the numerical Jacobian matrix is calculated. Comparison between implicit and explicit AUSM‐family schemes is presented, indicating that similarly accurate results are obtained with both schemes. Furthermore, the water faucet problem is solved using both staggered and collocated grids. This investigation helps integrate high‐resolution schemes into staggered‐grid‐based computational algorithms. The influence of the interface pressure correction on the simulation results is also examined. Results show that the interfacial pressure correction introduces numerical dissipation. However, this dissipation cannot eliminate the overshoots because of the incompatibility of numerical discretization of the conservative and non‐conservative terms in the governing equations. The comparison of CPU time between implicit and explicit schemes is also studied, indicating that the implicit scheme is capable of improving the computational efficiency over its explicit counterpart. Copyright © 2014 John Wiley & Sons, Ltd.     

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.     

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.     

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。     

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.     

Reduced‐order modelling of an adaptive mesh ocean model

A novel proper orthogonal decomposition (POD) model has been developed for use with an advanced unstructured mesh finite‐element ocean model, the Imperial College Ocean Model (ICOM, described in detail below), which includes many recent developments in ocean modelling and numerical analysis. The advantages of the POD model developed here over existing POD approaches are the ability:

• 1. To increase accuracy when representing geostrophic balance (the balance between the Coriolis terms and the pressure gradient). This is achieved through the use of two sets of geostrophic basis functions where each one is calculated by basis functions for velocities u and v.
• 2. To speed up the POD simulation. To achieve this a new numerical technique is introduced, whereby a time‐dependent matrix in the discretized equation is rapidly constructed from a series of time‐independent matrices. This development imparts considerable efficiency gains over the often‐used alternative of calculating each finite element over the computational domain at each time level.
• 3. To use dynamically adaptive meshes in the above POD model.

Copyright © 2008 John Wiley & Sons, Ltd.     

ELASTIC WAVES IN 3-D DISCRETE GRIDS

Wave motion in finite element models presents some characteristics different from thoseof wave motion in continuum,which leads to the errors and other special phenomena in finite elementsimulation of wave motion.The wave propagation in a 3-D finite element model is studied by utilizingthe formal solution in the paper,and the corresponding dispersion relations are derived.Then the mainproperties of wave motion in 3-D grids such as dispersion,cut-off frequency and polarization drift arediscussed.Characteristics different from those of wave motion in 2—D grids are revealed.     

复杂无粘流场数值模拟的矩形/三角形混合网格技术

建立了一套模拟复杂无粘流场的矩形／三角形混合网格技术，其中三角形仅限于物面附近，发挥非结构网格的几何灵活性，以少量的网格模拟复杂外型；同时在以外的区域采用矩形结构网格，发挥矩形网格计算简单快速的优势，有效地克服全非结构网格计算方法需要较大内存量和较长ＣＰＵ时间的不足．混合网格系统由修正的四分树方法生成．将ＮＮＤ有限差分与ＮＮＤ有限体积格式有机地融合于混合网格计算，消除了全矩形网格模拟曲边界的台阶效应，同时保证了网格间的通量守恒．数值实验表明本方法在模拟复杂无粘流场方面的灵活性和高效性．