A High-Order Conservative Semi-Lagrangian Solver for 3D Free Surface Flows with Sediment Transport on Voronoi Meshes

In this paper,we present a conservative semi-Lagrangian scheme designed for the numeri-cal solution of 3D hydrostatic free surface flows involving sediment transport on unstruc-tured Voronoi meshes.A high-order reconstruction procedure is employed for obtaining a piecewise polynomial representation of the velocity field and sediment concentration within each control volume.This is subsequently exploited for the numerical integration of the Lagrangian trajectories needed for the discretization of the nonlinear convective and viscous terms.The presented method is fully conservative by construction,since the transported quantity or the vector field is integrated for each cell over the deformed vol-ume obtained at the foot of the characteristics that arises from all the vertexes defining the computational element.The semi-Lagrangian approach allows the numerical scheme to be unconditionally stable for what concerns the advection part of the governing equations.Furthermore,a semi-implicit discretization permits to relax the time step restriction due to the acoustic impedance,hence yielding a stability condition which depends only on the explicit discretization of the viscous terms.A decoupled approach is then employed for the hydrostatic fluid solver and the transport of suspended sediment,which is assumed to be passive.The accuracy and the robustness of the resulting conservative semi-Lagrangian scheme are assessed through a suite of test cases and compared against the analytical solu-tion whenever is known.The new numerical scheme can reach up to fourth order of accu-racy on general orthogonal meshes composed by Voronoi polygons.

Numerical study of three-dimensional free surface dynamics

The dynamic problem of three-dimensional free surface is numerically studied in this paper. The ALE （Arbitrary Lagrange-Euler） kinematic description is introduced into the control equation system. The ALE description method is used to track free surface. Accurate formulations for calculating the normal vector on the free surface are presented. The discrete numerical equations by finite element method are developed by Galerkin weighted residual method. The boundary condition about free-surface tension is represented in the form of weak integration that can be computed by a differential geometry method derived in the present paper. The effect of contact angle is incorporated in the numerical algorithm. Furthermore, the numerical computations are performed and the comparison between computational and analytical results validated the effectiveness of the method. The results of this paper provide a fundamental understandings of the dynamics of liquid free surfaces, in which the surface tension and contact angle boundary conditions are taken into account. Finally, numerical simulation of largescale amplitude sloshing of liquid in a cylindrical container is performed and a numerical analysis of the effect of an annular ring-shaped rigid damping baffle on liquid sloshing oscillations in a cylindrical tank is also carried out.

Surface free energy of copper-zinc alloy for energy-saving of boiler

Cu-Zn, Cu-Zn-Sn, Cu-Zn-Ni alloys were melted by vacuum smelter. The effect factors to the surface free energy of the alloys such as chemical composition, crystal structure and surface crystal lattice distortion etc. were investigated by OCA30 automatic contact angle test instrument, metallography microscope and XRD instrument etc. Results suggests: adding alloy element to Cu may increase its surface free energy, and the more kinds of alloy elements are added, the more surface free energy increases; the alloy element Sn an increase the surface free energy of Cu-Zn alloy; Cu-Zn alloy with fir-tree crystal structure, great phase discrepancy and obvious composition aliquation has greater surface free energy; Cu-Zn alloy with compounds and serious surface crystal lattice distortion has greater surface free energy.

A CIP-Based Numerical Simulation of Free Surface Flow Related to Freak Waves

An enhanced numerical model for simulating two-dimensional incompressible viscous flow with distorted free surface is reported. The numerical simulation is carried out through the CIP （Constrained Interpolation Profile）-based method, which is described in the paper. A more accurate interface capturing scheme, the VOF/WLIC scheme （VOF：Volume-of-Fluid;WLIC：weighed line interface calculation）, is adopted as the interface capturing method. To assess the developed algorithm and its versatility, a selection of test problems are examined, i.e. the square wave propagation, the Zalesak’s rigid body rotation, dam breaking problem with and without obstacles, wave sloshing in an excited wave tank and interaction between extreme waves and a floating body. Excellent agreements are obtained when numerical results are compared with available analytical, experimental, and other numerical results. These examples demonstrate that the use of the VOF/WLIC scheme in the free surface capturing makes better results and also the proposed CIP-based model is capable of predicting the freak wave-related phenomena.

EXAMINATION OF THE SURFACE FREE ENERGY AND ACID-BASE PROPERTIES OF CELLULOSE BY THE COLUMN WICKING TECHNIQUE AND THE CRITICAL PACKING HEIGHT/DENSITY

The column wicking technique was applied to estimate the surface free energy of cellulose, the importance of which is to obtain a real effective capillary radius, Reff, initially from the plot of Washburn penetration distance versus time. Since the cellulose sample could not be packed with good reproducibility, therefore, Reff can not be obtained readily from the slope of the plot. A method was developed in this paper by uniting all apparent packing heights with a unique value to deduce a real effective capillary radius. Based on the defined critical packing height related to the critical packing density, the surface free energy and acid-base properties of cellulose Sigma C8002 were estimated.

Three-dimensional numerical simulation of crown spike due to coupling effect between bubbles and free surface

The motion of gas bubbles beneath a free surface will lead to a spike of fluid on the free surface. The distance of the bubbles to the free surface is the key factor to different phenomena. When the inception distance varies in some range, crown phenomenon would happen after the impact of weak buoyancy bubbles, so this kind of spike is defined as crown spike in the present paper. Based on potential flow theory, a three-dimensional numerical model is established to simulate the motion of the free-surface spike generated by one bubble or a horizontal line of two in-phase bubbles. After the downward jet formed near the end of the collapse phase, the simulation of the free surface is performed to study the crown spike without regard to the toroidal bubble＇s effect. Calculations about the interaction between one bubble and free surface agree well with the experimental results conducted with a high-speed camera, and relative error is within 15%. Crown spike in both single- and two-bubble cases are simulated numerically. Different features and laws of the motion of crown spike, depending on the bubble-boundary distances and the inter-bubble distances, have been investigated.

Numerical Simulation of Sloshing with Large Deforming Free Surface by MPS-LES Method

Moving particle semi-implicit （MPS） method is a fully Lagrangian particle method which can easily solve problems with violent free surface. Although it has demonstrated its advantage in ocean engineering applications, it still has some defects to be improved. In this paper, MPS method is extended to the large eddy simulation （LES） by coupling with a sub-particle-scale （SPS） turbulence model. The SPS turbulence model turns into the Reynolds stress terms in the filtered momentum equation, and the Smagorinsky model is introduced to describe the Reynolds stress terms. Although MPS method has the advantage in the simulation of the free surface flow, a lot of non-free surface particles are treated as free surface particles in the original MPS model. In this paper, we use a new free surface tracing method and the key point is ＂neighbor particle＂. In this new method, the zone around each particle is divided into eight parts, and the particle will be treated as a free surface particle as long as there are no ＂neighbor particles＂ in any two parts of the zone. As the number density parameter judging method has a high efficiency for the free surface particles tracing, we combine it with the neighbor detected method. First, we select out the particles which may be mistreated with high probabilities by using the number density parameter judging method. And then we deal with these particles with the neighbor detected method. By doing this, the new mixed free surface tracing method can reduce the mistreatment problem efficiently. The serious pressure fluctuation is an obvious defect in MPS method, and therefore an area-time average technique is used in this paper to remove the pressure fluctuation with a quite good result. With these improvements, the modified MPS-LES method is applied to simulate liquid sloshing problems with large deforming free surface. Results show that the modified MPS-LES method can simulate the large deforming free surface easily. It can not only capture the large impact pressure accurately on rolling tank wall but also can generate all physical phenomena successfully. The good agreement between numerical and experimental results proves that the modified MPS-LES method is a good CFD methodology in free surface flow simulations.

Effect of ACQ-D Treatment on the Surface Free Energy of Chinese Fir (Cunninghamia lanceolata)

In this study, the contact angles of three different reference liquids （including distilled water, diiodomethane, and formamide） and PF resin on the surfaces of Chinese fir （Cunningharnia lanceolata） samples untreated or treated with different concentrations of ACQ-D （ammoniacal copper quat Type D） solutions were measured. Then, the surface free energy was calculated by two approaches： acid-base approach and geometric mean approach. ACQ-D treatment caused higher contact angles and lower surface free energies at a retention level corresponding to the commodity treated wood products. When wood was treated with much higher concentrations of ACQ-D, the total surface free energy of wood would be higher than the untreated control. Acid-base/polar components related with the hydrogen bonding state in wood were considered to be responsible for the observed changes according to the applied approaches. The hydrophobic properties and also higher contact angles of PF resin drop on wood surfaces after ACQ-D treatment at a reasonable retention level confirms the changes on surface free energy.

Prolonged simulation of near-free surface underwater explosion based on Eulerian finite element method

n the area of naval architecture and ocean engineering,the research about the underwater xplosion problem is of great significance.To achieve prolonged simulation of near-free surface underwater explosion,the underwater explosion transient numerical model is established in this paper based on compressible Eulerian finite element method(EFEM).Compared with Geers Hunter formula,EFEM is availably validated by simulating the free-field underwater xplosion case.Then,the bubble pulsation and flow field dynamic characteristics of the cases with different underwater explosive depth are compared in this work.Lastly,the height of the water hump and the pressure of flow flied are analyzed quantitatively through the simulation results.

Chemical surface tuning of zinc metal anode toward stable,dendrite-less aqueous zinc-ion batteries

The commercialization of Zn batteries is confronted with urgent challenges in the metal anode,such as dendrite formation,capacity loss,and cracking or dissolution.Here,surface interfacial engineering of the Zn anode is introduced for achieving safety and dendritic-free cycling for high-performance aqueous Zn batteries through a simple but highly effective chemical etching-substitution method.The chemical modification induces a rough peak-valley surface with a thin fluorine-rich interfacial layer on the Zn anode surface,which regulates the growth orientation via guiding uniform Zn plating/stripping,significantly enhances accessibility to aqueous electrolytes and improves wettability by reducing surface energy.As a result,such a synergetic surface effect enables uniform Zn plating/stripping with low polarization of 29 m V at a current density of 0.5 m A cm^(-2) with stable cyclic performance up to 1000 h.Further,a full cell composed of a fluorine-substituted Zn anode coupled with aβ-MnO_(2)or Ba-V_(6)O_(13)cathode demonstrates improved capacity retention to 1000 cycles compared to the pristine-Zn cells.The proposed valley deposition model provides the practical direction of surface-modified interfacial chemistries for improving the electrochemical properties of multivalent metal anodes via surface tuning.

Second-order random interfacial wave solutions for two-layer fluid with a free surface

A previous study （Song. 2004. Geophys Res Lett, 31 （15）：L15302） of the second-order solutions for random interracial waves is extended in a constant depth, two-layer fluid system with a rigid lid is extended into a more general case of two-layer fluid with a top free surface. The rigid boundary condition on the upper surface is replaced by the kinematical and dynamical boundary conditions of a free surface, and the equations describing the random displacements of free surface, density-interface and the associated velocity potentials in the two-layer fluid are solved to the second order using the same expansion technology as that of Song （2004. Geophys Res Lett, 31 （15）：L15302）. The results show that the interface and the surface will oscillate synchronously, and the wave fields to the first-order both at the free surface and at the density-interface are made up of a linear superposition of many waves with different amplitudes, wave numbers and frequencies. The second-order solutions describe the second-order wave-wave interactions of the surface wave components, the interface wave components and among the surface and the interface wave components. The extended solutions also include special cases obtained by Thorpe for progressive interracial waves （Thorpe. 1968a.Trans R Soc London, 263A：563～614） and standing interracial waves （Thorpe. 1968b. J Fluid Mech, 32：489-528） for the two-layer fluid with a top free surface. Moreover, the solutions reduce to those derived for random surface waves by Sharma and Dean （1979.Ocean Engineering Rep 20） if the density of the upper layer is much smaller than that of the lower layer.

Vertical 2D Modeling of Free Surface Flow with Hydrodynamic Pressure Using SIMPLE Arithmetic in σ Coordinates

A numerical model for shallow water flow has been developed based on the unsteady Reynolds-averaged Navier-Stokes equations with the hydrodynamic pressure instead of hydrostatic pressure assumption. The equations are transformed into the σ-coordinate system and the eddy viscosity is calculated with the standard k-ε turbulence model. The control volume method is used to discrete the equations, and the boundary conditions at the bed for shallow water models only include vertical diffusion terms expressed with wall functions. And the semi-implicit method for pressure linked equation arithmetic is adopted to solve the equations. The model is applied to the 2D vertical plane flow of a current over two steep-sided trenches for which experiment data are available for comparison and good agreement is obtained. And the model is used to predicting the flow in a channel with a steep-sided submerged breakwater at the bottom, and the streamline is drawn.

Validation of a CIP-based tank for numerical simulation of free surface flows

A constrained interpolation profile CIP-based numerical tank is developed to simulate violent free surface flows.The numerical simulation is performed by the CIP-based Cartesian grid method,which is described in the present paper.The tangent of hyperbola for interface capturing（THINC） scheme is applied for capturing complex free surfaces.The new model is capable of simulating a flow with violently varied free surface.A series of computations are conducted to assess the developed algorithm and its versatility.These tests include the collapse of water column with and without an obstacle,sloshing in a fixed tank,the generation of regular waves in a tank,the generation of extreme waves in a tank.Excellent agreements are obtained when numerical results are compared with available analytical,experimental,and other numerical results.

Free-surface Simulations of Newtonian and Non-Newtonian Fluids with the Lattice Boltzmann Method

This paper describes the application of a three-dimensional lattice Boltzmann method （LBM） to Newtonian and non-Newtonian （Bingham fluid in this work） flows with free surfaces. A mass tracking algorithm was incorporated to capture the free surface, whereas Papanastasiou＇s modified model was used for Bingham fluids. The lattice Boltzmann method was first validated using two benchmarks： Newtonian flow through a square cross-section tube and Bingham flow through a circular cross-section tube. Afterward, the dam-break problem for the Newtonian fluid and the slump test for Bingham fluid were simulated to validate the free-surface-capturing algorithm. The numerical results were in good agreement with analytical results, as well as other simulations, thereby proving the validity and correctness of the current method. The proposed method is a promising substitute for time-consuming and costly physical experiments to solve problems encountered in geotechnical and geological engineering, such as the surge and debris flow induced by a landslide or earthquake.

MXene-Based Quantum Dots Optimize Hydrogen Production via Spontaneous Evolution of Cl-to O-Terminated Surface Groups

MXene quantum dots(MQDs)offer wide applications owing to the abundant surface chemistry,tunable energy-level structure,and unique properties.However,the application of MQDs in electrochemical energy conversion,including hydrogen evolution reaction(HER),remains to be realized,as it remains a challenge to precisely control the types of surface groups and tune the structure of energy levels in MQDs,owing to the high surface energy-induced strong agglomeration in post-processing.Consequently,the determination of the exact catalytically active sites and processes involved in such an electrocatalysis is challenging because of the complexity of the synthetic process and reaction conditions.Herein,we demonstrated the spontaneous evolution of the surface groups of the Ti_(2)CT_(x)MQDs(x:the content of O atom),i.e.,replacement of the-Cl functional groups by O-terminated ones during the cathode reaction.This process resulted in a low Gibbs free energy(0.26 eV)in HER.Our steady Ti_(2)CO_(x)/Cu_(2)O/Cu foam systems exhibited a low overpotential of 175 mV at 10 mA cm^(-2)in 1 M aq.KOH,and excellent operational stability over 165 h at a constant current density of-10 mA cm^(-2).

Effect of surface free energy of acetylene black powder on air electrode performance

The effects of acetylene black powder surface free energy on air electrode electrochemical performance and lifetime were studied. The acetylene black was immersed in 30% H2O2 at room temperature and the changes of functional groups and surface free energy were investigated by X-ray Photoelectron Spectroscopy (XPS) and powder contact angle (CA). The air electrode performance was characterized by the potential polarization curves and the lifetime was measured by constant-current discharge. It shows that, its surface free energy is the lowest when the acetylene black is immersed in H2O2 for 240 h. The polarization potential of the air electrode prepared by the pretreated acetylene black is 0.25 V(vs. Hg/HgO), 0.21 V lower than the air electrode with untreated acetylene black when the working current density is 100 mA·cm-1. And its lifetime is over 800 h at 80 mA·cm-1. The pretreatment of acetylene black for proper time by H2O2 is favorable for the stability of the tri-phase reaction interface of air electrode and improvement of its performance.

Far-Field Noise Induced by Bubble near Free Surface

The motion of a bubble near the free surface is solved by the boundary element method based on the linear wave equation, and the influence of fluid compressibility on bubble dynamics is analyzed. Based on the solution of the bubble motion, the far-field radiation noise induced by the bubble is calculated using Kirchhoff moving boundary integral equation, and the influence of free surface on far-field noise is researched. As the results, the oscillation amplitude of the bubble is weakened in compressible fluid compared with that in incompressible fluid, and the free surface amplifies the effect of fluid compressibility. When the distance between the bubble and an observer is much larger than that between the bubble and free surface, the sharp wave trough of the sound pressure at the observer occurs. With the increment of the distance between the bubble and free surface, the time of the wave trough appearing is delayed and the value of the wave trough increase. When the distance between the observer and the bubble is reduced, the sharp wave trough at the observer disappears.

Modified surface tension model for free surface flow with single-phase lattice Boltzmann method

A single-phase lattice Boltzmann model with modified surface tension is developed in this paper to solve the problem of high-density-ratio free surface flow.The computational efficiency and accuracy are both enhanced.The restriction to the relaxation factor （which needs to be smaller than 1） is circumvented by the new surface tension algebra,due to its rational physical nature compared with the treatment of Xing,Buther and Yang in their paper （Comp.Mater.Sci.,2007,39（2）：282-290）.The proposed stable surface tension scheme is applied to simulate the free deformation of a square droplet with surface tension effect and the process of a droplet impinging on a liquid film.The numerical solution for free deformation of a droplet agrees well with thermodynamic principles,and also achieves high accuracy in comparison with Xing,et al.＇s model.Three typical impinging modes are successfully obtained with the new scheme,and another particular mode found by Wang and Chen is also successfully simulated.The evolutions of liquid crown agree well with the power law related to time.

The interaction between multiple bubbles and the free surface

The flow is assumed to be potential, and a boundary integral method is used to solve the Laplace equation for the velocity potential to investigate the shape and the position of the bubble. A 3D code to study the bubble dynamics is developed, and the calculation results agree well with the experimental data. Numerical analyses are carried out for the interaction between multiple bubbles near the free surface including in-phase and out-of-phase bubbles. The calculation result shows that the bubble period increases with the decrease of the distance between bubble centres because of the depression effect between multiple bubbles. The depression has no relationship with the free surface and it is more apparent for out-of-phase bubbles. There are great differences in dynamic behaviour between the in-phase bubbles and the out-of-phase bubbles due to the depression effect. Furthermore, the interaction among eight bubbles is simulated with a three-dlmensional model, and the evolving process and the relevant physical phenomena are presented. These phenomena can give a reference to the future work on the power of bubbles induced by multiple charges exploding simultaneously or continuously.

A Higher-Efficient Non-Hydrostatic Finite Volume Model for Strong Three-Dimensional Free Surface Flows and Sediment Transport

In order to accurately simulate strong three-dimensional （3-D） free surface flows and sediment transport, the fully 3- D non-hydrostatic pressure models are developed based on the incompressible Navier-Stokes equations and convection-diffusion equation of sediment concentration with the mixing triangle and quadrilateral grids. The governing equations are discretized with the unstructured finite volume method in order to provide conservation properties of mass and momentum, and flexibility with practical application. It is shown that it is first-order accurate on nonuniform plane two-dimensional （2-D） grids and second-order accurate on uniform plane grids. A third-order approximation of the vertical velocity at the top-layer is applied. In such a way, free surface zero stress boundary condition is satisfied maturely, and very few vertical layers are needed to give an accurate solution even for complex discontinuous flow and short wave simulation. The model is applied to four examples to simulate strong 3-D free surface flows and sediment transport where non-hydrostatic pressures have a considerable effect on the velocity field. The newly developed model is verified against analytical solutions with an excellent agreement.