Anti-diffusion method for interface steepening in two-phase incompressible flow

In this paper, we present a method for obtaining sharp interfaces in two-phase incompressible flows by an anti-diffusion correction, that is applicable in a straight-forward fashion for the improvement of two-phase flow solution schemes typically employed in practical applications. The underlying discretization is based on the volume-of-fluid (VOF) interface-capturing method on unstructured meshes. The key idea is to steepen the interface, independently of the underlying volume-fraction transport equation, by solving a diffusion equation with reverse time, i.e. an anti-diffusion equation, after each advection time step of the volume fraction. As the solution of the anti-diffusion equation requires regularization, a limiter based on the directional derivative is developed for calculating the gradient of the volume fraction. This limiter ensures the boundedness of the volume fraction. In order to control the amount of anti-diffusion introduced by the correction algorithm we propose a suitable stopping criterion for interface steepening. The formulation of the limiter and the algorithm for solving the anti-diffusion equation are applicable to 3-dimensional unstructured meshes. Validation computations are performed for passive advection of an interface, for 2-dimensional and 3-dimensional rising-bubbles, and for a rising drop in a periodically constricted channel. The results demonstrate that sharp interfaces can be recovered reliably. They show that the accuracy is similar to or even better than that of level-set methods using comparable discretizations for the flow and the level-set evolution. Also, we observe a good agreement with experimental results for the rising drop where proper interface evolution requires accurate mass conservation.     

Revisit to the THINC scheme: A simple algebraic VOF algorithm

This short note presents an improved multi-dimensional algebraic VOF method to capture moving interfaces. The interface jump in the THINC (tangent of hyperbola for INterface capturing) scheme is adaptively scaled to a proper thickness according to the interface orientation. The numerical accuracy in computing multi-dimensional moving interfaces is significantly improved. Without any geometrical reconstruction, the proposed method is extremely simple and easy to use, and its numerical accuracy is superior to other existing methods of its kind and comparable to the conventional PLIC (piecewise linear interface calculation) type VOF schemes.     

A second-order accurate material-order-independent interface reconstruction technique for multi-material flow simulations

A new, second-order accurate, volume conservative, material-order-independent interface reconstruction method for multi-material flow simulations is presented. First, materials are located in multi-material computational cells using a piecewise linear reconstruction of the volume fraction function. These material locator points are then used as generators to reconstruct the interface with a weighted Voronoi diagram that matches the volume fractions. The interfaces are then improved by minimizing an objective function that smoothes interface normals while enforcing convexity and volume constraints for the pure material subcells. Convergence tests are shown demonstrating second-order accuracy. Static and dynamic examples are shown illustrating the superior performance of the method over existing material-order-dependent methods.     

A comparative study of interface reconstruction methods for multi-material ALE simulations

In this paper we compare the performance of different methods for reconstructing interfaces in multi-material compressible flow simulations. The methods compared are a material-order-dependent Volume-of-Fluid (VOF) method, a material-order-independent VOF method based on power diagram partitioning of cells and the Moment-of-Fluid method (MOF). We demonstrate that the MOF method provides the most accurate tracking of interfaces, followed by the VOF method with the right material ordering. The material-order-independent VOF method performs somewhat worse than the above two while the solutions with VOF using the wrong material order are considerably worse.     

A Quadratic Spline based Interface (QUASI) reconstruction algorithm for accurate tracking of two-phase flows

A new Quadratic Spline based Interface (QUASI) reconstruction algorithm is presented which provides an accurate and continuous representation of the interface in a multiphase domain and facilitates the direct estimation of local interfacial curvature. The fluid interface in each of the mixed cells is represented by piecewise parabolic curves and an initial discontinuous PLIC approximation of the interface is progressively converted into a smooth quadratic spline made of these parabolic curves. The conversion is achieved by a sequence of predictor–corrector operations enforcing function (C⁰) and derivative (C¹) continuity at the cell boundaries using simple analytical expressions for the continuity requirements. The efficacy and accuracy of the current algorithm has been demonstrated using standard test cases involving reconstruction of known static interface shapes and dynamically evolving interfaces in prescribed flow situations. These benchmark studies illustrate that the present algorithm performs excellently as compared to the other interface reconstruction methods available in literature. Quadratic rate of error reduction with respect to grid size has been observed in all the cases with curved interface shapes; only in situations where the interface geometry is primarily flat, the rate of convergence becomes linear with the mesh size. The flow algorithm implemented in the current work is designed to accurately balance the pressure gradients with the surface tension force at any location. As a consequence, it is able to minimize spurious flow currents arising from imperfect normal stress balance at the interface. This has been demonstrated through the standard test problem of an inviscid droplet placed in a quiescent medium. Finally, the direct curvature estimation ability of the current algorithm is illustrated through the coupled multiphase flow problem of a deformable air bubble rising through a column of water.     

A unified model for metal/organic interfaces: IDIS, ‘pillow’ effect and molecular permanent dipoles

A unified model, embodying the induced density of interface states (IDIS) model, the reduction of the metal work function due to the adsorbed molecules (‘pillow’ effect) and molecular permanent dipoles, is presented for describing the barrier formation at metal/organic interfaces. While the IDIS model and ‘pillow’ effect have been described in previous approaches, in this paper we show how to introduce molecular permanent dipoles in the interface barrier formation. Examples for Au or Al/organic interfaces are discussed, which show the validity of our results and the generality of our formalism.     

A hybrid numerical method for interfacial fluid flow with soluble surfactant

We address a significant difficulty in the numerical computation of fluid interfaces with soluble surfactant that occurs in the physically representative limit of large bulk Peclet number Pe. At the high values of Pe in typical fluid-surfactant systems, there is a transition layer near the interface in which the surfactant concentration varies rapidly, and large gradients at the interface must be resolved accurately to evaluate the exchange of surfactant between the interface and bulk flow. We use the slenderness of the layer to develop a fast and accurate ‘hybrid’ numerical method that incorporates a separate, singular perturbation analysis of the dynamics in the transition layer into a full numerical solution of the interfacial free boundary problem. The accuracy and efficiency of the method is assessed by comparison with a more ‘traditional’ numerical approach that uses finite differences on a curvilinear coordinate system exterior to the bubble, without the separate transition layer reduction. The traditional method implemented here features a novel fast calculation of fluid velocity off the interface.     

Analysis of the characteristics of time-resolved signals for transient radiative transfer in scattering participating media

Transient radiative transfer (TRT) in one-dimensional (1-D) homogeneous and inhomogeneous media with ultra-short pulse laser irradiated is investigated by means of the finite volume method (FVM) in the present research. Comparing with the steady radiative transfer (SRT), the extra time-resolved information can be obtained in TRT. Meanwhile, the propagation speed of short-pulse laser and the geometric thickness of the media should be considered in the simulation of TRT problem besides the optical thickness. A new nondimensional number ζ=ct_p/L is presented. For the homogeneous media, the temporal signals would overlap one another with different combinations of the pulse duration and the thickness of the media with the same ζ. Furthermore, in two-layer media, the influence of the scattering albedo, optical thickness and the geometric thickness of the participating media on ‘dual-peak’ are studied thoroughly. The improved expression of the ‘local minimum’ in the ‘dual-peak’ and the interface location of the multi-layer media are provided.     

考虑壁面接触效应的微流动数值模拟

使用level set和volume of fluid(VOF)方法对考虑壁面接触效应的不可压缩两相微流动进行数值模拟.对于level set方法,计算基于MAC网格,使用二阶投影算法求解二维Navier-Stokes(N-S)方程和level set函数方程;对于VOF方法,通过引入计算网格内的体积分数,将流场的参数转化为体积平均值,界面的形状由体积分数连续方程的解决定.给出一些计算实例,并和现有的实验结果进行比较.     

Conservative Volume-of-Fluid method for free-surface simulations on Cartesian-grids

This paper contributes to the state of the art in Cartesian-grid methods through development of new advection and reconstruction Volume-of-Fluid (VOF) algorithms which are applicable to two and three-dimensional flows. A computationally efficient and second-order VOF reconstruction method is presented which uses no inversions to determine the interface normal direction. Next, the lack of conservation of fluid volume in previous VOF advection methods are shown to be due to improper treatment of one-dimensional stretching in the velocity field. This paper uses simple explicit time stepping and a cell-center estimate of the volume fraction in the dilatation term to achieve a completely conservative advection method. The new methods are simple, robust and shown to out perform existing approaches for canonical test problems relevant to breaking wave flows.     

Euler多物质流体动力学数值方法中的界面处理算法

结合Euler型多物质流体动力学数值方法,将Youngs界面重构技术进行改进,改进后的算法中,混合网格周围网格物质的体积份额不但被用来计算物质界面的位置,还被用来确定混合网格中各物质的输运次序.将改进后的算法加入到自行开发的MMIC-2D通用多物质二维爆炸与冲击问题数值仿真程序中,对二维直角坐标系下圆环在平移流场中的运动过程进行模拟,以此对提出的改进界面处理算法进行数值考核.在此基础上,对聚能装药射流的形成过程进行数值模拟,模拟结果图像显示,其物质分界面清晰,并与实验结果吻合较好,从而验证了该方法的精度及有效性.     

The adaptive immersed interface finite element method for elliptic and Maxwell interface problems

We propose self-adaptive finite element methods with error control for solving elliptic and electromagnetic problems with discontinuous coefficients. The meshes in the methods do not need to fit the interfaces. New error indicators are introduced to control the error due to non-body-fitted meshes. Flexible h-adaptive strategies are developed, which can be systematically extended to a large class of interface problems. Extensive numerical experiments are performed to support the theoretical results and to show the competitive behavior of the adaptive algorithm even for interfaces involving corner or tip singularities.     

Metal-semiconductor interface in extreme temperature conditions

We present an investigation of electrons’ and phonons’ temperatures in the volume of a semiconductor (or metal) sample and at the interface between metal and semiconductor. Two types of mismatch between electrons’ and phonons’ temperatures take place: at metal-semiconductor interfaces and in the volume of the sample. The temperature mismatch leads to nonlinear terms in expressions for heat and electricity transport. The nonlinear effects should be taken into consideration in the study of electrical and heat transport in composites and in electronic chips.     

A novel coupled level set and volume of fluid method for sharp interface capturing on 3D tetrahedral grids

We present a new three-dimensional hybrid level set (LS) and volume of fluid (VOF) method for free surface flow simulations on tetrahedral grids. At each time step, we evolve both the level set function and the volume fraction. The level set function is evolved by solving the level set advection equation using a second-order characteristic based finite volume method. The volume fraction advection is performed using a bounded compressive normalized variable diagram (NVD) based scheme. The interface is reconstructed based on both the level set and the volume fraction information. The novelty of the method lies in that we use an analytic method for finding the intercepts on tetrahedral grids, which makes interface reconstruction efficient and conserves volume of fluid exactly. Furthermore, the advection of volume fraction makes use of the NVD concept and switches between different high resolution differencing schemes to yield a bounded scalar field, and to preserve both smoothness and sharp definition of the interface. The method is coupled to a well validated finite volume based Navier–Stokes incompressible flow solver. The code validation shows that our method can be employed to resolve complex interface changes efficiently and accurately. In addition, the centroid and intercept data available as a by-product of the proposed interface reconstruction scheme can be used directly in near-interface sub-grid models in large eddy simulation.     

A volume of fluid approach for crystal growth simulation

A new approach to simulating the dendritic growth of pure metals, based on a recent volume of fluid (VOF) method with PLIC (piecewise linear interface calculation) reconstruction of the interface, is presented. The energy equation is solved using a diffuse-interface method, which avoids the need to apply the thermal boundary conditions directly at the solid front. The thermal gradients at both sides of the interface, which are needed to obtain the front velocity, are calculated with the aid of a distance function to the reconstructed interface. The advection equation of a discretized solid fraction function is solved using the unsplit VOF advection method proposed by López et al. [J. Comput. Phys. 195 (2004) 718–742] (extended to three dimensions by Hernández et al. [Int. J. Numer. Methods Fluids 58 (2008) 897–921]), and the interface curvature is computed using an improved height function technique, which provides second-order accuracy. The proposed methodology is assessed by comparing the numerical results with analytical solutions and with results obtained by different authors for the formation of complex dendritic structures in two and three dimensions.     

矩形网格上VOF运动界面重构的流体体积分数保持法

针对处理运动界面问题的流体体积函数(VOF)法,提出一种新的流体体积分数保持界面重构算法.该方法在单个网格内用斜线段近似运动界面,并要求相邻网格内的斜线段在公共边上的交点重合,通过保持网格内的流体体积分数不变,在边界网格上建立非线性方程组,通过求解非线性方程组,确定运动界面边界线与网格线的交点位置,最终重构出运动界面的形状.应用算例模拟结果表明,该方法能够高精度,较少尖点地重构运动界面,证实了该方法的有效性和可行性.     

The role of reconstruction in self-assembly of alkylthiolate monolayers on coinage metal surfaces

Through a combination of standard laboratory-based surface science methods, together with synchrotron radiation-based normal incidence X-ray standing wave (NIXSW) experiments, the interface structure of simple alkylthiolate ‘self-assembled monolayers’ on Cu(1 1 1), Ag(1 1 1) and Au(1 1 1) has been investigated over the last ∼15 years. A key conclusion is that in all cases the adsorbate produces a substantial, density-lowering, reconstruction of the outermost metal layer, although the nature of these reconstructions is quite different on the three metals. The main results of these investigations are briefly reviewed and contrasted.     

Dependence of an electrochemical cell performance upon the thickness of the ionic conductor

The thickness of the ionic conductor in an electrochemical cell is shown to be among the governing parameters of the cell's performance. Internal field, I-V characteristics and p-n ‘junctions’ formed upon voltage application are investigated through a computer model based on fundamental charge transport equations including also Poisson's equation.     

An interface capturing method with a continuous function: The THINC method with multi-dimensional reconstruction

An interface capturing method with a continuous function is proposed within the framework of the volume-of-fluid (VOF) method. Being different from the traditional VOF methods that require a geometrical reconstruction and identify the interface by a discontinuous Heaviside function, the present method makes use of the hyperbolic tangent function (known as one of the sigmoid type functions) in the tangent of hyperbola interface capturing (THINC) method [F. Xiao, Y. Honma, K. Kono, A simple algebraic interface capturing scheme using hyperbolic tangent function, Int. J. Numer. Methods Fluids 48 (2005) 1023–1040] to retrieve the interface in an algebraic way from the volume-fraction data of multi-component materials. Instead of the 1D reconstruction in the original THINC method, a multi-dimensional hyperbolic tangent function is employed in the present new approach. The present scheme resolves moving interface with geometric faithfulness and compact thickness, and has at least the following advantages: (1) the geometric reconstruction is not required in constructing piecewise approximate functions; (2) besides a piecewise linear interface, curved (quadratic) surface can be easily constructed as well; and (3) the continuous multi-dimensional hyperbolic tangent function allows the direct calculations of derivatives and normal vectors. Numerical benchmark tests including transport of moving interface and incompressible interfacial flows are presented to validate the numerical accuracy for interface capturing and to show the capability for practical problems such as a stationary circular droplet, a drop oscillation, a shear-induced drop deformation and a rising bubble.