Numerical simulation of axisymmetric unsteady incompressible flow by a vorticity-velocity method

A new numerical method for solving the axisymmetric unsteady incompressible Navier-Stokes equations using vorticity-velocity variables and a staggered grid is presented. The solution is advanced in time with an explicit two-stage Runge-Kutta method. At each stage a vector Poisson equation for velocity is solved. Some important aspects of staggering of the variable location, divergence-free correction to the velocity held by means of a suitably chosen scalar potential and numerical treatment of the vorticity boundary condition are examined. The axisymmetric spherical Couette flow between two concentric differentially rotating spheres is computed as an initial value problem. Comparison of the computational results using a staggered grid with those using a non-staggered grid shows that the staggered grid is superior to the non-staggered grid. The computed scenario of the transition from zero-vortex to two-vortex flow at moderate Reynolds number agrees with that simulated using a pseudospectral method, thus validating the temporal accuracy of our method.

基于自由型曲面的贴体网格生成

建立了基于自由型曲面的曲面网格生成的数学模型，生成了曲面网格，把它作为三维Dirichlet问题的边界条件，求解三维Poisson方程，获得了满足数值模拟要求的三维贴体网格。采用上述方法，完成了基于自由型曲面的某直升机空调座舱三维贴体网格的生成，结果令人满意。

三维链网模型及其参数标定

提出一种材料模型，由三维空间取向的平行弹簧束作为构架，讨论了按空间取向进行离散的方式。实现立体角划分的最优化。构造了由一维构元组成的三维链网体胞，给出了体胞几何，物理参数的标定方法。证明该体胞能精确模拟Pisson比从0-1／2的材料行为，突破了已往模型0-1/3限制。探讨了模型简化问题，实现了模拟精度高而计算费用低的统一，举例论述了该模型模拟短纤维增强复合材料的独特优点。

槽道湍流的直接数值模拟

通过直接数值模拟(DNS)研究槽道湍流的性质和机理。包含五个部分：1）湍流直接数值模拟的差分方法研究。2）求解不可压N－S方程的高效算法和不可压槽道湍流的直接数值模拟。3）可压缩槽道湍流的直接数值模拟和压缩性机理分析。4）“二维湍流”的机理分析。5）槽道湍流的标度律分析。1．针对壁湍流计算网格变化剧烈的特点，构造了基于非等距网格的的迎风紧致格式。该方法直接针对计算网格构造格式中的系数，克服了传统方法采用 Jacobian 变换因网格变化剧烈而带来的误差。针对湍流场的多尺度特性分析了差分格式的精度、网格尺度与数值模拟能分辨的最小尺度的关系，给出不同差分格式对计算网格步长的限制。同时分析了计算中混淆误差的来源和控制方法，指出了迎风型紧致格式能很好地控制混淆误差。2．将上述格式与三阶精度的Adams半隐格式相结合，构造了不可压槽道湍流直接数值模拟的高效算法。该算法利用基于交错网格的离散形式的压力Poisson方程求解压力项，避免了压力边界条件处理的困难。利用FFT对方程中的隐式部分进行解耦，解耦后的方程采用追赶法（LU分解法）求解，大大减少了计算量。为了检验该方法，进行了三维不可压槽道湍流的直接数值模拟，得到了Re＝2800的充分发展不可压槽道湍流，并对该湍流场进行了统计分析。包括脉动速度偏斜因子在内的各阶统计量与实验结果及Kim等人的计算结果吻合十分理想，说明本方法是行之有效的。3．进行了三维充分发展的可压缩槽道湍流的直接数值模拟。得到了 Re=3300，Ma=0.8的充分发展可压槽道湍流的数据库。流场的统计特征（如等效平均速度分布，“半局部”尺度无量纲化的脉动速度均方根）和他人的数值计算结果吻合。得到了可压槽道湍流的各阶统计量，其中脉动速度的偏斜因子和平坦因子等高阶统计量尚未见其他文献报道。同时还分析了压缩性效应对壁湍流影响的机理，指出近壁处的压力－膨胀项将部分湍流脉动的动能转换成内能，使得可压湍流近壁速度条带结构更加平整。4．模拟了二维不可压槽道流动的饱和态（所谓“二维湍流”），分析了“二维槽道湍流”的非线性行为特征。分析了流场中的上抛－下扫和间歇现象，研究了“二维湍流”与三维湍流的区别。指出“二维湍流”反映了三维湍流的部分特征，同时指出了展向扰动对于湍流核心区发展的重要性。5．首次对可压缩槽道湍流及“二维槽道湍流”标度律进行了分析，得出了以下结论：a）槽道湍流中，在槽道中心线附近较宽的区域，存在标度律。b）该区域流场存在扩展自相似性（ESS）。c）在Mach数不是很高时，压缩性对标度指数影响不大。本文结果同SL标度律的理论值吻合较好，有效支持了该理论。对“二维槽道湍流”也有相似的结论，但与三维湍流不同的是，“二维槽道湍流”存在标度律的区域更宽，近壁处的标度指数比中心处有所升高。

Mechanics of adhesive contact on a power-law graded elastic half-space

We consider adhesive contact between a rigid sphere of radius R and a graded elastic half-space with Young's modulus varying with depth according to a power law E = E-0(z/c(0))(k) (0 < k < 1) while Poisson's ratio v remaining a constant. Closed-form analytical solutions are established for the critical force, the critical radius of contact area and the critical interfacial stress at pull-off. We highlight that the pull-off force has a simple solution of P-cr= -(k+3)pi R Delta gamma/2 where Delta gamma is the work of adhesion and make further discussions with respect to three interesting limits: the classical JKR solution when k = 0, the Gibson solid when k --> 1 and v = 0.5, and the strength limit in which the interfacial stress reaches the theoretical strength of adhesion at pull-off. (C) 2009 Elsevier Ltd. All rights reserved.

Adhesive behavior of two-dimensional power-law graded materials

In this paper, we investigate the adhesive contact between a rigid cylinder of radius R and a graded elastic half-space with a Young's modulus varying with depth according to a power-law, E = E-0(y/c(0))(k) (0 < k < 1), while the Poisson's ratio v remains constant. The results show that, for a given value of ratio R/C-0, a critical value of k exists at which the pull-off force attains a maximum; for a fixed value of k, the larger the ratio R/c(0), the larger the pull-off force is. For Gibson materials (i.e., k = 1 and v = 0.5), closed-form analytical solutions can be obtained for the critical contact half-width at pull-off and pull-off force. We further discuss the perfect stick case with both externally normal and tangential loads.

Solute transport in nanochannels with roughness-like structures

Newfound attention has been given to solute transport in nanochannels. Because the electric double layer (EDL) thickness is comparable to characteristic channel dimensions, nanochannels have been used to separate ionic species with a constant charge-to-size ratio (i.e., electrophoretic mobility) that otherwise cannot be separated in electroosmotic or pressure- driven flow along microchannels. In nanochannels, the electrical fields within the EDL cause transverse ion distributions and thus yield charge-dependent mean ion speeds in the flow. Surface roughness is usually inevitable during microfabrication of microchannels or nanochannels. Surface roughness is usually inevitable during the fabrication of nanochannels. In the present study, we develop a numerical model to investigate the transport of charged solutes in nanochannels with hundreds of roughness-like structures. The model is based on continuum theory that couples Navier-Stokes equations for flows, Poisson-Boltzmann equation for electrical fields, and Nernst-Planck equation for solute transports. Different operating conditions are considered and the solute transport patterns in rough channels are compared with those in smooth channels. Results indicate that solutes move slower in rough nanochannels than in smooth ones for both pressure- driven and electroosmotic flows. Moreover, solute separation can be significantly improved by surface roughness under certain circumstances.

A Hybrid Scheme Based on Finite Element/Volume Methods for Two Immiscible Fluid Flows

We have successfully extended our implicit hybrid finite element/volume (FE/FV) solver to flows involving two immiscible fluids. The solver is based on the segregated pressure correction or projection method on staggered unstructured hybrid meshes. An intermediate velocity field is first obtained by solving the momentum equations with the matrix-free implicit cell-centered FV method. The pressure Poisson equation is solved by the node-based Galerkin FE method for an auxiliary variable. The auxiliary variable is used to update the velocity field and the pressure field. The pressure field is carefully updated by taking into account the velocity divergence field. This updating strategy can be rigorously proven to be able to eliminate the unphysical pressure boundary layer and is crucial for the correct temporal convergence rate. Our current staggered-mesh scheme is distinct from other conventional ones in that we store the velocity components at cell centers and the auxiliary variable at vertices. The fluid interface is captured by solving an advection equation for the volume fraction of one of the fluids. The same matrix-free FV method, as the one used for momentum equations, is used to solve the advection equation. We will focus on the interface sharpening strategy to minimize the smearing of the interface over time. We have developed and implemented a global mass conservation algorithm that enforces the conservation of the mass for each fluid.

等离子体效应对类氦氖Kα线系电偶极辐射的影响

采用离子球模型，通过自洽求解Boltzmann方程和Poisson方程，得到类氦氖离子Kα线系的两条电偶极辐射光谱能量随等离子体环境的漂移．结果显示，Kα线系电偶极谱线随等离子体电子密度增大发生红移，红移量与等离子体电子密度有近似的正比关系；随着等离子体电子温度的降低，光谱红移对等离子体电子密度的敏感性增大。另外，所研究的两条谱线间的能量间隔随等离子体电子密度的增大而减小，减小量随等离子体电子密度的变化也呈现出近似的线性规律。值得注意的是，类氦氖Kα线系中两条电偶极谱线分别为互组合线与共振谱线，而其能量差

类氢氖在高温高密度等离子体中的光谱漂移

采用离子球模型，通过自治求解Poisson方程和Dirac方程，得到氖的类氢离子低能级组态的能级能量随等离子体电子温度和电子密度的变化关系，进一步研究了等离子体电子温度和电子密度对光谱漂移的影响。结果表明：光谱漂移随着等离子体电子密度的增大而增大，随着电子温度的升高而减小；谱线精细结构分裂随着电子密度的增大而减小．随着电子温度的升高而增大。等离子体对束缚电子的屏蔽是决定光谱漂移的主要原因。这些变化规律不仅对等离子体光谱模拟结果产生影响，而且使实验上观测光谱的相对或绝对漂移成为可能．从而为高密度等离子体诊断

Surface-enhanced resonance Raman scattering spectroscopy of single R6G molecules

Surface-enhanced resonance Raman scattering (SERRS) of Rhodamine 6G (R6G) adsorbed on colloidal silver clusters has been studied. Based on the great enhancement of the Raman signal and the quench of the fluorescence, the SERRS spectra of R6G were recorded for the samples of dye colloidal solution with different concentrations. Spectral inhomogeneity behaviours from single molecules in the dried sample films were observed with complementary evidences, such as spectral polarization, spectral diffusion, intensity fluctuation of vibrational lines and even "breathing" of the molecules. Sequential spectra observed from a liquid sample with an average of 0.3 dye molecules in the probed volume exhibited the expected Poisson distribution for actually measuring 0, 1 or 2 molecules. Difference between the SERRS spectra of R6G excited by linearly and circularly polarized light were experimentally measured.

Ground-state energy shifts of H-like Ti under dense and hot plasma conditions

In this study, by adopting the ion sphere model, the self-consistent. field method is used with the Poisson-Boltzmann equation and the Dirac equation to calculate the ground-state energies of H-like Ti at a plasma electron density from 10(22) cm(-3) to 10(24) cm(-3) and the electron temperature from 100 eV to 3600 eV. The ground-state energy shifts of H-like Ti show different trends with the electron density and the electron temperature. It is shown that the energy shifts increase with the increase in the electron density and decrease with the increase in the electron temperature. The energy shifts are sensitive to the electron density, but only sensitive to the low electron temperature. In addition, an accurately fitting formula is obtained to fast estimate the ground-state energies of H-like Ti. Such fitted formula can also be used to estimate the critical electron density of pressure ionization for the ground state of H-like Ti.

时变带限信道中光通信的均衡与去噪技术

A semi-blind equalization method is proposed based on combination of adaptive and blind equalization techniques, which is more effective for optical signal processing in time-varied band-limited channel. The numerical simulation of Poisson noise OOK optical pulse signal in a band-limited channel using digital equalization techniques is performed, and the results are compared. The semi-blind equalization matchs the channel faster and sustains convergence were identified. In addition, the wavelet de-noise technique is introduced in the de-nosing area of optical signa process. The criteria of choosing wavelet basises is obtained that smooth wavelet soft threshold method is better. The corresponding numerical simulation is also conducted.

Mechanical and chemical bonding properties of ground state BeH2

The crystal structure, mechanical properties and electronic structure of ground state BeH2 are calculated employing the first-principles methods based on the density functional theory. Our calculated structural parameters at equilibrium volume are well consistent with experimental results. Elastic constants, which well obey the mechanical stability criteria, are firstly theoretically acquired. The bulk modulus B, Shear modulus G, Young's modulus E, and Poisson's ratio upsilon are deduced from the elastic constants. The bonding nature in BeH2 is fully interpreted by combining characteristics in band structure, density of states, and charge distribution. The ionicity in the Be-H bond is mainly featured by charge transfer from Be 2s to H 1s atomic orbitals while its covalency is dominated by the hybridization of H 1s and Be 2p states. The Bader analysis of BeH2 and MgH2 are performed to describe the ionic/covalent character quantitatively and we find that about 1.61 (1.6) electrons transfer from each Be (Mg) atom to H atoms.

Quantum Mechanical Study on Tunnelling and Ballistic Transport of Nanometer Si MOSFETs

Using self-consistent calculations of million-atom Schrodinger-Poisson equations, we investigate the I-V characteristics of tunnelling and ballistic transport of nanometer metal oxide semiconductor field effect transistors (MOSFET) based on a full 3-D quantum mechanical simulation under nonequilibtium condition. Atomistic empirical pseudopotentials are used to describe the device Hamiltonian and the underlying bulk band structure. We find that the ballistic transport dominates the I-V characteristics, whereas the effects of tunnelling cannot be neglected with the maximal value up to 0.8mA/mu m when the channel length of MOSFET scales down to 25 nm. The effects of tunnelling transport lower the threshold voltage V-t. The ballistic current based on fully 3-D quantum mechanical simulation is relatively large and has small on-off ratio compared with results derived from the calculation methods of Luo et al.