Simulations of impinging droplets with surfactant-dependent dynamic contact angle

An arbitrary Lagrangian-Eulerian (ALE) finite element scheme for computations of soluble surfactant droplet impingement on a horizontal surface is presented. The numerical scheme solves the time-dependent Navier-Stokes equations for the fluid flow, scalar convection-diffusion equation for the surfactant transport in the bulk phase, and simultaneously, surface evolution equations for the surfactants on the free surface and on the liquid-solid interface. The effects of surfactants on the flow dynamics are included into the model through the surface tension and surfactant-dependent dynamic contact angle. In particular, the dynamic contact angle (theta(d)) of the droplet is defined as a function of the surfactant concentration at the contact line and the equilibrium contact angle (theta(0)(e)) of the clean surface using the nonlinear equation of state for surface tension. Further, the surface forces are included into the model as surface divergence of the surface stress tensor that allows to incorporate the Marangoni effects without calculating the surface gradient of the surfactant concentration on the free surface. In addition to a mesh convergence study and validation of the numerical results with experiments, the effects of adsorption and desorption surfactant coefficients on the flow dynamics in wetting, partially wetting and non-wetting droplets are studied in detail. It is observed that the effects of surfactants are more in wetting droplets than in the non-wetting droplets. Further, the presence of surfactants at the contact line reduces the equilibrium contact angle further when theta(0)(e) is less than 90 degrees, and increases it further when theta(0)(e) is greater than 90 degrees. Nevertheless, the presence of surfactants has no effect on the contact angle when theta(0)(e) = 90 degrees. The numerical study clearly demonstrates that the surfactant-dependent contact angle has to be considered, in addition to the Marangoni effect, in order to study the flow dynamics and the equilibrium states of surfactant droplet impingement accurately. The proposed numerical scheme guarantees the conservation of fluid mass and of the surfactant mass accurately. (C) 2015 Elsevier Inc. All rights reserved.

Region-of-interest diffuse optical tomography system

Diffuse optical tomography (DOT) using near-infrared light is a promising tool for non-invasive imaging of deep tissue. This technique is capable of quantitative reconstruction of absorption (mu(a)) and scattering coefficient (mu(s)) inhomogeneities in the tissue. The rationale for reconstructing the optical property map is that the absorption coefficient variation provides diagnostic information about metabolic and disease states of the tissue. The aim of DOT is to reconstruct the internal tissue cross section with good spatial resolution and contrast from noisy measurements non-invasively. We develop a region-of-interest scanning system based on DOT principles. Modulated light is injected into the phantom/tissue through one of the four light emitting diode sources. The light traversing through the tissue gets partially absorbed and scattered multiple times. The intensity and phase of the exiting light are measured using a set of photodetectors. The light transport through a tissue is diffusive in nature and is modeled using radiative transfer equation. However, a simplified model based on diffusion equation (DE) can be used if the system satisfies following conditions: (a) the optical parameter of the inhomogeneity is close to the optical property of the background, and (b) mu(s) of the medium is much greater than mu(a) (mu(s) >> mu(a)). The light transport through a highly scattering tissue satisfies both of these conditions. A discrete version of DE based on finite element method is used for solving the inverse problem. The depth of probing light inside the tissue depends on the wavelength of light, absorption, and scattering coefficients of the medium and the separation between the source and detector locations. Extensive simulation studies have been carried out and the results are validated using two sets of experimental measurements. The utility of the system can be further improved by using multiple wavelength light sources. In such a scheme, the spectroscopic variation of absorption coefficient in the tissue can be used to arrive at the oxygenation changes in the tissue. (C) 2016 AIP Publishing LLC.

High-Resolution Finite Compact Difference Schemes for Hyperbolic Conservation Laws

A finite compact (FC) difference scheme requiring only bi-diagonal matrix inversion is proposed by using the known high-resolution flux. Introducing TVD or ENO limiters in the numerical flux, several high-resolution FC-schemes of hyperbolic conservation law are developed, including the FC-TVD, third-order FC-ENO and fifth-order FC-ENO schemes. Boundary conditions formulated need only one unknown variable for third-order FC-ENO scheme and two unknown variables for fifth-order FC-ENO scheme. Numerical test results of the proposed FC-scheme were compared with traditional TVD, ENO and WENO schemes to demonstrate its high-order accuracy and high-resolution.

Optimized Group Velocity Control Scheme and DNS of Decaying Compressible Turbulence of Relative High Turbulent Mach Number

To overcome the difficulty in the DNS of compressible turbulence at high turbulent Mach number, a new difference scheme called GVC8 is developed. We have succeeded in the direct numerical simulation of decaying compressible turbulence up to turbulent Mach number 0.95. The statistical quantities thus obtained at lower turbulent Mach number agree well with those from previous authors with the same initial conditions, but they are limited to simulate at lower turbulent Mach numbers due to the so-called start-up problem. The energy spectrum and coherent structure of compressible turbulent flow are analysed. The scaling law of compressible turbulence is studied. The computed results indicate that the extended self-similarity holds in decaying compressible turbulence despite the occurrence of shocklets, and compressibility has little effects on relative scaling exponents when turbulent Mach number is not very high.

Evolution of three-dimensional coherent structures in compressible axisymmetric jet

A high order difference scheme is used to simulate the spatially developing compressible axisymmetric jet. The results show that the Kelvin-Helmholtz instability appears first when the jet loses its stability, and then with development of jet the increase in nonlinear effects leads to the secondary instability and the formation of the streamwise vortices. The evolution of the three-dimensional coherent structure is presented. The computed results verify that in axisymmetric jet the secondary instability and formation of the streamwise vortices are the important physical mechanism of enhancing the flow mixing and transition occurring.

Direct Numerical Simulation Of Hypersonic Boundary-Layer Transition Over A Blunt Cone

Direct numerical simulation of transition How over a blunt cone with a freestream Mach number of 6, Reynolds number of 10,000 based on the nose radius, and a 1-deg angle of attack is performed by using a seventh-order weighted essentially nonoscillatory scheme for the convection terms of the Navier-Stokes equations, together with an eighth-order central finite difference scheme for the viscous terms. The wall blow-and-suction perturbations, including random perturbation and multifrequency perturbation, are used to trigger the transition. The maximum amplitude of the wall-normal velocity disturbance is set to 1% of the freestream velocity. The obtained transition locations on the cone surface agree well with each other far both cases. Transition onset is located at about 500 times the nose radius in the leeward section and 750 times the nose radius in the windward section. The frequency spectrum of velocity and pressure fluctuations at different streamwise locations are analyzed and compared with the linear stability theory. The second-mode disturbance wave is deemed to be the dominating disturbance because the growth rate of the second mode is much higher than the first mode. The reason why transition in the leeward section occurs earlier than that in the windward section is analyzed. It is not because of higher local growth rate of disturbance waves in the leeward section, but because the growth start location of the dominating second-mode wave in the leeward section is much earlier than that in the windward section.

Dns Of Compressible Turbulent Boundary Layer Around A Sharp Cone

Direct numerical simulation of the turbulent boundary layer over a sharp cone with 20 degrees cone angle (or 10 degrees half-cone angle) is performed by using the mixed seventh-order up-wind biased finite difference scheme and sixth-order central difference scheme. The free stream Mach number is 0.7 and free stream unit Reynolds number is 250000/inch. The characteristics of transition and turbulence of the sharp cone boundary layer are compared with those of the flat plate boundary layer. Statistics of fully developed turbulent flow agree well with the experimental and theoretical data for the turbulent flat-plate boundary layer flow. The near wall streak-like structure is shown and the average space between streaks (normalized by the local wall unit) keeps approximately invariable at different streamwise locations. The turbulent energy equation in the cylindrical coordinate is given and turbulent energy budget is studied. The computed results show that the effect of circumferential curvature on turbulence characteristics is not obvious.

Characteristics of a CW HF chemical-laser calculated from a simplified two-dimensional model

A two-dimensional simplified model of an HF chemical laser is introduced. Using an implicit finite difference scheme, the solution of two adjacent parallel streams with diffusion mixing and chemical reaction is generated. A contour of mixing and reaction boundary is obtained without presupposition. The distribution of the HF(v) concentrations, gas temperature and the optical small signal gain (alpha sub V, J) on the flowing plane (X, Y) are presented. Compared with the solution solved directly from a set of Navier-Stokes equations, the results of these two methods agree with each other qualitatively. The influences of the different velocity, temperature (T sub 0) and composition of the two streams on the small signal gain after the nozzle exit are investigated. It is interesting that for larger J with a fixed v, the peaks of alpha sub v-T sub 0 profiles move towards higher T sub 0. The computing method is simple and only a short computing time is needed.

若干流体力学问题的数学性质研究

该文利用高智的扩散抛物化方程组理论及流体力学基本方程组的特征次特征理论,流体大小尺度（LSS）方程组理论以及摄动有限差分（PFD）方法,研究若干流体力学问题的数学性质.该文得到的主要结论有：1.利用湍流大小尺度（LSS）方程组推导出湍流大小尺度涡量（LSSV）方程组,并证明两个关于湍流大小尺度涡量的命题,从而得到湍流封闭大小尺度涡量（CLSSV）方程组,并对已有的近程相互作用命题进行推广.2.根据扩散抛物化方程组理论和流体力学层次结构方程组的特征和次特征方法,研究了抛物化稳定性方程组（PSE）的特征和次特征以及消除PSE的剩余椭圆特性的问题.3.利用摄动有限差分（PFD）方法得到对流扩散反应方程的变步长摄动有限差分格式,是等步长摄动有限差分格式的推广.

可压平面混合层稳定性分析及数值模拟

可压平面混合层是包含复杂多时空尺度运动的非定常流体力学部问题，具有深刻的理论意义和广泛的应用背景。针对该问题所涉及内容的多面性，本文的目的是，基于高精度、高分辨率数值算法的构造、发展和数值行为分析，采用线性稳定性分析和直接数值模拟方法。从理论和计算两方面集中研究压缩性效应、粘性效应、初值效应以及燃烧反应放热效应等对可压平面混合层早期稳定性行为和大尺度拟序涡结构非线性演化的影响。以混合层已有研究成果的分析和综述为开端，论文主体共包括四部分：第一部分是可压平面混合层时间/空间模式数值线性稳定性分析。实现了高精度对称紧致差分格式（SCD）对可压粘性扰动线性稳定性边值问题的求解，对导出的线性和非线性离散特征值问题，提出了两个高效局部解法。研究涉及二维/三维扰动波、无粘/粘性扰动波、特征函数和特征值谱、第一/第二模态、超声速快/慢模态、速度比和密度比等。验证了对流Mach数Mc为一个合理的压缩性参数。指出压缩性效应和粘性效应对最不稳定扰动波的波数（频率）和增长率呈相拟的抑制作用，且时间模式稳定性分析结果在许多方面是可信的。从随机和线性扰动场出发，采用高精度五阶迎风紧致和六阶对称紧致混合差分算法（UCD5/SCD6）对可压平面混合层的稳定性特征进行了直接数值模拟，揭示了初始主导线性扰动与一些实际涡结构非线性作用形态间的内在关联，印证了线性稳定性分析方法的合理性和有效性。第二部分是高精度迎风紧致差分格式（UCD）时空全离散数值行为分析。导出了其一维/二维一般色散表达式。研究表明，UCD格式在高波数区具有内在的全离散耗散和色散特性；其数值群速度的快/慢特征可因CFL数不同而改变；在稳定CFL数下简单附加人工粘性可强化UCD格式在高波数区的耗散量；提高时间精度可放宽稳定CFL数限制；UCD格式的二维全离散色散介质中存在三个不同性质的数值波，其全离散稳定性由数值声波主控。第三部分实现了高精度UCD5/SCD6差分算法对空间发展可压平面混合层的直接数值模拟。通过亚谐扰动波的个数和扰动频率的控制，捕捉到了基频涡的饱和、一次和二次对并等现象，显示了大尺度涡结构与入中初始扰动方式之间的内在联系。利用参数Mc观察了压缩性效应对大尺度涡空间演化及其相互作用的影响。第四部分实现了高精度UCD5/SCD6差分算法对非预混扩散火焰化学反应平面混合层的直接数值模拟。研究指出，放热效应可抑制和延迟涡的形成，使基频涡卷拉伸甚至丧失，混合层Reynolds 应力ρu'v'和流向速度波动关联项u'v'下降，以致涡结构与外流动量交换和标量输运减少，脉动输运能力被削弱，从而混合效率、产物生成率和混合层增长率下降，放热主要通过膨胀效应和斜压效应来抑制大尺度涡的演化。

A singularly perturbed linear two-point boundary-value problem

We consider the following singularly perturbed linear two-point boundary-value problem:

Ly(x) ≡ Ω(ε)D_xy(x) - A(x,ε)y(x) = f(x,ε) 0≤x≤1 (1a)

By ≡ L(ε)y(0) + R(ε)y(1) = g(ε) ε → 0^+ (1b)

Here Ω(ε) is a diagonal matrix whose first m diagonal elements are 1 and last m elements are ε. Aside from reasonable continuity conditions placed on A, L, R, f, g, we assume the lower right mxm principle submatrix of A has no eigenvalues whose real part is zero. Under these assumptions a constructive technique is used to derive sufficient conditions for the existence of a unique solution of (1). These sufficient conditions are used to define when (1) is a regular problem. It is then shown that as ε → 0^+ the solution of a regular problem exists and converges on every closed subinterval of (0,1) to a solution of the reduced problem. The reduced problem consists of the differential equation obtained by formally setting ε equal to zero in (1a) and initial conditions obtained from the boundary conditions (1b). Several examples of regular problems are also considered.

A similar technique is used to derive the properties of the solution of a particular difference scheme used to approximate (1). Under restrictions on the boundary conditions (1b) it is shown that for the stepsize much larger than ε the solution of the difference scheme, when applied to a regular problem, accurately represents the solution of the reduced problem.

Furthermore, the existence of a similarity transformation which block diagonalizes a matrix is presented as well as exponential bounds on certain fundamental solution matrices associated with the problem (1).

Um método sintético de difusão para aceleração do esquema de fonte de espalhamento em cálculos SN unidimensionais de fonte fixa

O esquema iterativo de fonte de espalhamento (SI) é tradicionalmente aplicado para a convergência da solução numérica de malha fina para problemas de transporte de nêutrons monoenergéticos na formulação de ordenadas discretas com fonte fixa. O esquema SI é muito simples de se implementar sob o ponto de vista computacional; porém, o esquema SI pode apresentar taxa de convergência muito lenta, principalmente para meios difusivos (baixa absorção) com vários livres caminhos médios de extensão. Nesta dissertação descrevemos uma técnica de aceleração baseada na melhoria da estimativa inicial para a distribuição da fonte de espalhamento no interior do domínio de solução. Em outras palavras, usamos como estimativa inicial para o fluxo escalar médio na grade de discretização de malha fina, presentes nos termos da fonte de espalhamento das equações discretizadas SN usadas nas varreduras de transporte, a solução numérica da equação da difusão de nêutrons em grade espacial de malha grossa com condições de contorno especiais, que aproximam as condições de contorno prescritas que são clássicas em cálculos SN, incluindo condições de contorno do tipo vácuo. Para aplicarmos esta solução gerada pela equação da difusão em grade de discretização de malha grossa nas equações discretizadas SN de transporte na grade de discretização de malha fina, primeiro implementamos uma reconstrução espacial dentro de cada nodo de discretização, e então determinamos o fluxo escalar médio em grade de discretização de malha fina para usá-lo nos termos da fonte de espalhamento. Consideramos um número de experimentos numéricos para ilustrar a eficiência oferecida pela presente técnica (DSA) de aceleração sintética de difusão.

Effects of convection and solid wall on the diffusion in microscale convection flows

The diffusive transport properties in microscale convection flows are studied by using the direct simulation Monte Carlo method. The effective diffusion coefficient D is computed from the mean square displacements of simulated molecules based on the Einstein diffusion equation D = x2 t /2t. Two typical convection flows, namely, thermal creep convection and Rayleigh– Bénard convection, are investigated. The thermal creep convection in our simulation is in the noncontinuum regime, with the characteristic scale of the vortex varying from 1 to 100 molecular mean free paths. The diffusion is shown to be enhanced only when the vortex scale exceeds a certain critical value, while the diffusion is reduced when the vortex scale is less than the critical value. The reason for phenomenon of diffusion reduction in the noncontinuum regime is that the reduction effect due to solid wall is dominant while the enhancement effect due to convection is negligible. A molecule will lose its memory of macroscopic velocity when it collides with the walls, and thus molecules are hard to diffuse away if they are confined between very close walls. The Rayleigh– Bénard convection in our simulation is in the continuum regime, with the characteristic length of 1000 molecular mean free paths. Under such condition, the effect of solid wall on diffusion is negligible. The diffusion enhancement due to convection is shown to scale as the square root of the Péclet number in the steady convection regime, which is in agreement with previous theoretical and experimental results. In the oscillation convection regime, the diffusion is more strongly enhanced because the molecules can easily advect from one roll to its neighbor due to an oscillation mechanism. © 2010 American Institute of Physics. doi:10.1063/1.3528310

对流扩散方程的三阶迎风格式的数值摄动高精度重构

利用高智提出的数值摄动算法,把求解对流扩散方程常用三阶迎风格式(3-UDS)(粘性项和对流项分别用二阶中心格式和3-UDS离散)进行了高精度重构,包括使用离散单元内所有节点的全域重构和分别使用上下游节点的上下游重构,得到两类新的更高阶精度迎风差分格式,称为高的迎风差分格式(记作GUDS)。讨论了GUDS的数学性质,GUDS比原来的3-UDS精度显著提高;全域重构的GUDS和3-UDS均为条件稳定,一些上下游重构GUDS为绝对稳定。本文通过稳定性分析和四个算例(一维常系数、变系数、非线性及二维变系数对流扩散方程)的计算证实了GUDS的优良性质。上下游重构GUDS为避免在3-UDS中使用人工粘性提供了一条有效途径,适合于求解高Reynolds数线性和非线性问题。