Non-stationary conjugate heat exchange and phase transition at the high-energy surface processing. Part 1. Computational approach and its realization

The paper presents the developed physical and mathematical models, calculation procedure based on finite-element method, and also the software for the numerical studying the processes of the non-stationary conjugate heat exchange and phase transition during the surface processing with high-concentrated energy fluxes with stationary, pulse, and movable heat sources (fusing of coatings, surface layer quenching, surface cleaning, etc.). The proposed and realized method permits to study the processes within a wide range of the power density of external heat fluxes q∈[10⁷; 10¹⁴] W/m² with significantly different spatial and temporal scales. The results presented are of interest for understanding and simulation of the processes occurring at the surface processing of the coatings and materials with high-concentrated energy fluxes. The project has been financially supported by the Russian Foundation for Basic Research (Grant No. 07-08-00209).     

ρ-VOF:一种可清晰模拟自由界面的两相流方法

文章通过对EFM(effective field modeling)模型进行简化, 消除了原模型的非守恒性项和非双曲性特性项, 发展了一种基于密度的气液两相流模拟方法: ρ-VOF方法.利用体积分数信息对控制单元内的自由界面进行重构, 得到了控制单元内流体的空间分布, 并采用AUSM+-up格式获得考虑气液流体接触间断信息的对流通量.新方法可统一处理激波间断和接触间断的相互作用, 保持自由界面的尖锐性, 并且其计算量与自由界面的空间复杂度无关.最后, 数值模拟了液体激波管气液激波管和气体激波跨二维液滴传播等问题, 并与文献结果进行对比, 验证了本方法在气液两相流模拟中的准确性.      

二维高速碰撞问题欧拉数值模拟的混合网格计算

提出了适用于二维平面或轴对称多介质流体力学两步欧拉数值方法中输运计算的混合网格界面处理.在一个混合网格中,将界面近似看作直线.整个方法分为3步:①用混合网格周围的8个网格的介质面积份额确定界面的法线方向;②用混合网格的介质面积份额或体积份额确定界面的直线方程;③用此直线方程求出通过网格边界的流.给出了用此方法所做的测试、数值计算及与其它算法的比较.     

Measuring deformations of the heated liquid film by the fluorescence method

The fluorescence method was used to measure the instantaneous thickness field of the falling nonisothermal water film. The process of rivulet formation in a heated film was registered. Measurement averaging allowed determination of the degree of transverse deformation of a film. In the lower half of the heater within the interrivulet zone of the non-isothermal film, the wave amplitude decreases with a rise of the heat flux and reduction of the average thickness. Two zones of the heat flux effect on liquid film deformation were distinguished. At low heat fluxes, the film flow is weakly deformed. At high heat fluxes the thermal-capillary forces provide formation of rivulets and a thin film between them. The work was financially supported by the President of RF (NSh-6749.2006.8), Russian Foundation for Basic Research (Grants Nos. 05-08-33325-a, 06-01-00360-a), National Center on Science and Innovations (State contract No. 02.438.11.7002), and SB RAS (Interdisciplinary Integration Project No. 111).     

A coupled pressure-based computational method for incompressible/compressible flows

Pressure-based flow solvers couple continuity and linearized truncated momentum equations to derive a Poisson type pressure correction equation and use the well known SIMPLE algorithm. Momentum equations and the pressure correction equation are typically solved sequentially. In many cases this method results in slow and often difficult convergence. The current paper proposes a novel computational algorithm, solving for pressure and velocity simultaneously within a pressure-correction coupled solution approach using finite volume method on structured and unstructured meshes. The method can be applied to both incompressible and subsonic compressible flows. For subsonic compressible flows, the energy equation is also coupled with flow field and the density of fluid is obtained by equation of state. The procedure eliminates the pressure correction step, the most expensive component of the SIMPLE-like algorithms. The proposed coupled continuity-momentum-energy equation method can be used to simulate steady state or transient flow problems. The method has been tested on several CFD benchmark cases with excellent results showing dramatically improved numerical convergence and significant reduction in computational time.     

A gas kinetic scheme for the Baer–Nunziato two-phase flow model

Numerical methods for the Baer–Nunziato (BN) two-phase flow model have attracted much attention in recent years. In this paper, we present a new gas kinetic scheme for the BN two-phase flow model containing non-conservative terms in the framework of finite volume method. In the view of microscopic aspect, a generalized Bhatnagar–Gross–Krook (BGK) model which matches with the BN model is constructed. Based on the integral solution of the generalized BGK model, we construct the distribution functions at the cell interface. Then numerical fluxes can be obtained by taking moments of the distribution functions, and non-conservative terms are explicitly introduced into the construction of numerical fluxes. In this method, not only the complex iterative process of exact solutions is avoided, but also the non-conservative terms included in the equation can be handled well.     

Non-stationary conjugate heat exchange and phase transitions at the high-energy surface processing. Part 2. Simulation of the technological processes

The developed general physical-mathematical model, FEM-based calculation procedure as well as the software were in practical use to simulate the processes of the non-stationary conjugate heat exchange and phase transformations during the processing of the surface with a high-concentrated energy fluxes, with a stationary, pulsed, and movable heating sources (the processing, including the surface fusing with a quasilaminar plasma jet, transfer electric arc and impulse electron beam; cleaning of the metal substrate surfaces from an oxide layer with the aid of a cathode vacuum arc, etc). The processes of practical importance with considerably different spatial and temporal scales featuring the density of the heat fluxes power q ∈ [10⁷; 10¹⁴] W/m² have been studied. The work was financially supported by the Russian Foundation for Basic Research (Grant No. 07-08-00209).     

Local DG method using WENO type limiters for convection–diffusion problems

The local discontinuous Galerkin (LDG) method is a spatial discretization procedure for convection–diffusion equations, which employs useful features from high resolution finite volume schemes, such as the exact or approximate Riemann solvers serving as numerical fluxes and limiters, which is termed as Runge–Kutta LDG (RKLDG) when TVD Runge–Kutta method is applied for time discretization. It has the advantage of flexibility in handling complicated geometry, h-p adaptivity, and efficiency of parallel implementation and has been used successfully in many applications. However, the limiters used to control spurious oscillations in the presence of strong shocks are less robust than the strategies of essentially non-oscillatory (ENO) and weighted ENO (WENO) finite volume and finite difference methods. In this paper, we investigated RKLDG methods with WENO and Hermite WENO (HWENO) limiters for solving convection–diffusion equations on unstructured meshes, with the goal of obtaining a robust and high order limiting procedure to simultaneously obtain uniform high order accuracy and sharp, non-oscillatory shock transition. Numerical results are provided to illustrate the behavior of these procedures.     

A new method for deriving analytical solutions of partial differential equations — Algebraically explicit analytical solutions of two-buoyancy natural convection in porous media

Analytical solutions of governing equations of various phenomena have their irreplaceable theoretical meanings. In addition, they can also be the benchmark solutions to verify the outcomes and codes of numerical solutions, and even to develop various numerical methods such as their differencing schemes and grid generation skills as well. A hybrid method of separating variables for simultaneous partial differential equation sets is presented. It is proposed that different methods of separating variables for different independent variables in the simultaneous equation set may be used to improve the solution derivation procedure, for example, using the ordinary separating method for some variables and using extraordinary methods of separating variables, such as the separating variables with addition promoted by the first author, for some other variables. In order to prove the ability of the above-mentioned hybrid method, a lot of analytical exact solutions of two-buoyancy convection in porous media are successfully derived with such a method. The physical features of these solutions are given. Supported by the National Natural Science Foundation of China (Grant No. 50576097) and the National Basic Research Development Program of China (Grant No. 2007CB206902)     

Mathematical Development and Verification of a Finite Volume Model for Morphodynamic Flow Applications

The accuracy and efficiency of a class of finite volume methods are investigated for numerical solution of morphodynamic problems in one space dimension. The governing equations consist of two components, namely a hydraulic part described by the shallow water equations and a sediment part described by the Exner equation. Based on different formulations of the morphodynamic equations, we propose a family of three finite volume methods. The numerical fluxes are reconstructed using a modified Roe's scheme that incorporates, in its reconstruction, the sign of the Jacobian matrix in the morphodynamic system. A well-balanced discretization is used for the treatment of the source terms. The method is well-balanced, non-oscillatory and suitable for both slow and rapid interactions between hydraulic flow and sediment transport. The obtained results for several morphodynamic problems are considered to be representative, and might be helpful for a fair rating of finite volume solution schemes, particularly in long time computations.     

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.     

球坐标动量空间下相对论Vlasov方程的数值算法

针对相对论Vlasov方程动量区间跨度大、难以计算的困难,将相对论Vlasov方程在球坐标动量空间中进行数值求解.对相对论Vlasov方程球坐标动量空间构造4阶非分裂守恒型数值格式.数值模拟相对论Landau阻尼问题并与解析理论进行比较,验证数值模型和算法的有效性.对激光等离子体相互作用进行初步模拟分析,表明通过采用球坐标下的动量空间,可在相对较少动量网格情形下,获得与粒子模拟可相互验证的结果.     

Impingement effect on the glass-crystal transformation kinetics by using DSC under non-isothermal regime. Application to the crystallization of the several semiconducting alloys of the Sb-As-Se and Ge-Sb-Se glassy systems

A procedure has been developed for analyzing the evolution with time of the actual volume fraction transformed, for calculating the kinetic parameters and for analyzing the glass-crystal transformation mechanisms in solid systems involving formation and growth of nuclei. By defining an extended volume of transformed material and assuming spatially random transformed regions, a general expression of the extended volume fraction has been obtained as a function of the temperature. Considering the mutual interference of regions growing from separate nuclei (impingement effect) and from the above-mentioned expression, the actual volume fraction transformed has been deduced. The kinetic parameters have been obtained, assuming that the reaction rate constant is a time function through its Arrhenian temperature dependence. The theoretical method developed has been applied to the crystallization kinetics of a set semiconducting alloys, prepared in our laboratory, corresponding to the Sb-As-Se and Ge-Sb-Se glassy systems. The obtained values for the kinetic parameters agree satisfactorily with the calculated results by the Austin-Rickett kinetic equation, under non-isothermal regime. This fact allows to check the validity of the theoretical model developed.     

一种超高速发射实验装置的改进及其数值模拟

 以流体比容方法和三阶PPM方法为基础,给出了适用于三级气炮超高速发射过程数值模拟的多流计算方法和计算代码MFPPM。利用Sandia实验室一系列的实验装置及其结果对计算代码进行了验证和确认,获得了较好的数值模拟结果（其中最大相对误差为1.07%）,同时对冲击波物理与爆轰物理实验室设计的实验装置进行了数值模拟,计算结果与实验结果相差1.04%。为了更好地满足超高压下材料状态方程的测量,提出了一种带汇聚型的改进装置设计,并给出了相应的数值模拟结果。     

A monotone finite volume method for advection–diffusion equations on unstructured polygonal meshes

We present a new second-order accurate monotone finite volume (FV) method for the steady-state advection–diffusion equation. The method uses a nonlinear approximation for both diffusive and advective fluxes and guarantees solution non-negativity. The interpolation-free approximation of the diffusive flux uses the nonlinear two-point stencil proposed in Lipnikov [23]. Approximation of the advective flux is based on the second-order upwind method with a specially designed minimal nonlinear correction. The second-order convergence rate and monotonicity are verified with numerical experiments.     

A high-order cell-centered Lagrangian scheme for compressible fluid flows in two-dimensional cylindrical geometry

The goal of this paper is to present high-order cell-centered schemes for solving the equations of Lagrangian gas dynamics written in cylindrical geometry. A node-based discretization of the numerical fluxes is obtained through the computation of the time rate of change of the cell volume. It allows to derive finite volume numerical schemes that are compatible with the geometric conservation law (GCL). Two discretizations of the momentum equations are proposed depending on the form of the discrete gradient operator. The first one corresponds to the control volume scheme while the second one corresponds to the so-called area-weighted scheme. Both formulations share the same discretization for the total energy equation. In both schemes, fluxes are computed using the same nodal solver which can be viewed as a two-dimensional extension of an approximate Riemann solver. The control volume scheme is conservative for momentum, total energy and satisfies a local entropy inequality in its first-order semi-discrete form. However, it does not preserve spherical symmetry. On the other hand, the area-weighted scheme is conservative for total energy and preserves spherical symmetry for one-dimensional spherical flow on equi-angular polar grid. The two-dimensional high-order extensions of these two schemes are constructed employing the generalized Riemann problem (GRP) in the acoustic approximation. Many numerical tests are presented in order to assess these new schemes. The results obtained for various representative configurations of one and two-dimensional compressible fluid flows show the robustness and the accuracy of our new schemes.     

Spatiotemporal evolution of the distribution function of electrons in sign-changing electric field

A numerical model for solving the Boltzmann unsteady non-local kinetic equation for the distribution function of electrons over energy is constructed. The Boltzmann equation for isotropic part of the distribution function written in natural variables the kinetic energy — the coordinate was solved by the pseudo-unsteady method. The model was applied for describing the spatiotemporal evolution of the distribution function of electrons in a uniform electric field. For a model distribution of the electric field with the “negative” value in the Faraday dark space and the “positive” value in the positive column of the glow discharge, the main macroscopic parameters of electrons are obtained, the diffusion mechanism of the electron current transfer in the negative electric field region is confirmed. The work was financially supported by the Russian Foundation for Basic Research (Grant No. 07-02-00781-a) and by State Contract No. 02.513.11.3242.     

Numerical simulation of the nonlinear ultrasonic pressure wave propagation in a cavitating bubbly liquid inside a sonochemical reactor

We investigate the acoustic wave propagation in bubbly liquid inside a pilot sonochemical reactor which aims to produce antibacterial medical textile fabrics by coating the textile with ZnO or CuO nanoparticles. Computational models on acoustic propagation are developed in order to aid the design procedures. The acoustic pressure wave propagation in the sonoreactor is simulated by solving the Helmholtz equation using a meshless numerical method. The paper implements both the state-of-the-art linear model and a nonlinear wave propagation model recently introduced by Louisnard (2012), and presents a novel iterative solution procedure for the nonlinear propagation model which can be implemented using any numerical method and/or programming tool. Comparative results regarding both the linear and the nonlinear wave propagation are shown. Effects of bubble size distribution and bubble volume fraction on the acoustic wave propagation are discussed in detail. The simulations demonstrate that the nonlinear model successfully captures the realistic spatial distribution of the cavitation zones and the associated acoustic pressure amplitudes.     

An Euler–Lagrange method considering bubble radial dynamics for modeling sonochemical reactors

Unsteady numerical computations are performed to investigate the flow field, wave propagation and the structure of bubbles in sonochemical reactors. The turbulent flow field is simulated using a two-equation Reynolds-Averaged Navier–Stokes (RANS) model. The distribution of the acoustic pressure is solved based on the Helmholtz equation using a finite volume method (FVM). The radial dynamics of a single bubble are considered by applying the Keller–Miksis equation to consider the compressibility of the liquid to the first order of acoustical Mach number. To investigate the structure of bubbles, a one-way coupling Euler–Lagrange approach is used to simulate the bulk medium and the bubbles as the dispersed phase. Drag, gravity, buoyancy, added mass, volume change and first Bjerknes forces are considered and their orders of magnitude are compared. To verify the implemented numerical algorithms, results for one- and two-dimensional simplified test cases are compared with analytical solutions. The results show good agreement with experimental results for the relationship between the acoustic pressure amplitude and the volume fraction of the bubbles. The two-dimensional axi-symmetric results are in good agreement with experimentally observed structure of bubbles close to sonotrode.     

Higher-order quadrature-based moment methods for kinetic equations

Kinetic equations containing terms for spatial transport, body forces, and particle–particle collisions occur in many applications (e.g., rarefied gases, dilute granular gases, fluid-particle flows). The direct numerical solution of the kinetic equation is usually intractable due to the large number of independent variables. A useful alternative is to reformulate the problem in terms of the moments of the velocity distribution function. Closure of the moment equations is challenging for flows sufficiently far away from the Maxwellian limit. In previous work, a quadrature-based third-order moment closure was derived for approximating solutions to the kinetic equation for arbitrary Knudsen number. A key component of quadrature-based closures is the moment-inversion algorithm used to find the non-negative weights and velocity abscissas. Here, a robust inversion procedure is proposed for three-component velocity moments up to ninth order. By reconstructing the velocity distribution function, the spatial fluxes in the moment equations are treated using a kinetic-based finite-volume solver. Because the quadrature-based moment method employs the moment transport equations directly instead of a discretized form of the kinetic equation, the mass, momentum and energy are conserved for arbitrary Knudsen and Mach numbers. The computational algorithm is tested for the Riemann shock problem and, for increasing Knudsen numbers (i.e. larger deviations from the Maxwellian limit), the accuracy of the moment closure is shown to be determined by the discrete representation of the spatial fluxes.