Direct Numerical Simulation of Passive Scalar in Decaying Compressible Turbulence

The passive scalars in the decaying compressible turbulence with the initial Reynolds number (defined by Taylor scale and RMS velocity) Re=72, the initial turbulent Mach numbers (defined by RMS velocity and mean sound speed) Mt=0.2-0.9, and the Schmidt numbers of passive scalar Sc=2-10 are numerically simulated by using a 7th order upwind difference scheme and 8th order group velocity control scheme. The computed results are validated with different numerical methods and different mesh sizes. The Batchelor scaling with k(-1) range is found in scalar spectra. The passive scalar spectra decay faster with the increasing turbulent Mach number. The extended self-similarity (ESS) is found in the passive scalar of compressible turbulence.

Numerical simulation of rock failure and earthquake process on mesoscopic scale

On the basis of the lattice model of MORA and PLACE, Discrete Element Method, and Molecular Dynamics approach, another kind of numerical model is developed. The model consists of a 2-D set of particles linked by three kinds of interactions and arranged into triangular lattice. After the fracture criterion and rules of changes between linking states are given, the particle positions, velocities and accelerations at every time step are calculated using a finite-difference scheme, and the configuration of particles can be gained step by step. Using this model, realistic fracture simulations of brittle solid (especially under pressure) and simulation of earthquake dynamics are made.

Hybrid Finite Compact-WENO Schemes for Shock Calculation

Hybrid finite compact (FC)-WENO schemes are proposed for shock calculations. The two sub-schemes (finite compact difference scheme and WENO scheme) are hybridized by means of the similar treatment as in ENO schemes. The hybrid schemes have the advantages of FC and WENO schemes. One is that they possess the merit of the finite compact difference scheme, which requires only bi-diagonal matrix inversion and can apply the known high-resolution flux to obtain high-performance numerical flux function; another is that they have the high-resolution property of WENO scheme for shock capturing. The numerical results show that FC-WENO schemes have better resolution properties than both FC-ENO schemes and WENO schemes. In addition, some comparisons of FC-ENO and artificial compression method (ACM) filter scheme of Yee et al. are also given.

NS方程激波计算的摄动有限差分方法

摄动有限差分（PFD）方法从一阶迎风差分格式出发，将差分系数展开为网格步长的幂级数，通过提高修正微分方程的逼近精度来获得更高精度的差分格式。由于格式基于一阶迎风格式，因此具有迎风效应、网格节点少等特点。本文首先通过对Burgers方程的摄动差分格式的推导，将摄动有限差分格式引入时间相关法的计算，并构造了守恒形式的摄动有限差分格式，然后推广到一维Navier-Stokes方程组的计算。数值比较研究表明：本文构造的NS方程摄动有限差分格式具有比一阶迎风较高的精度和分辨率，而且保持了一阶迎风格式的无振荡性质。

Receptivity To Free-Stream Disturbance Waves For Hypersonic Flow Over A Blunt Cone

A high-order shock-fitting finite difference scheme is studied and used to do direction numerical simulation (DNS) of hypersonic unsteady flow over a blunt cone with fast acoustic waves in the free stream, and the receptivity problem in the blunt cone hypersonic boundary layers is studied. The results show that the acoustic waves are the strongest disturbance in the blunt cone hypersonic boundary layers. The wave modes of disturbance in the blunt cone boundary layers are first, second, and third modes which are generated and propagated downstream along the wall. The results also show that as the frequency decreases, the amplitudes of wave modes of disturbance increase, but there is a critical value. When frequency is over the critial value, the amplitudes decrease. Because of the discontinuity of curvature along the blunt cone body, the maximum amplitudes as a function of frequencies are not monotone.

Direct Numerical Simulation Of Three-Dimensional Richtmyer-Meshkov Instability

Direct numerical simulation (DNS) is used to study flow characteristics after interaction of a planar shock with a spherical media interface in each side of which the density is different. This interfacial instability is known as the Richtmyer-Meshkov (R-M) instability. The compressible Navier-Stoke equations are discretized with group velocity control (GVC) modified fourth order accurate compact difference scheme. Three-dimensional numerical simulations are performed for R-M instability installed passing a shock through a spherical interface. Based on numerical results the characteristics of 3D R-M instability are analysed. The evaluation for distortion of the interface, the deformation of the incident shock wave and effects of refraction, reflection and diffraction are presented. The effects of the interfacial instability on produced vorticity and mixing is discussed.

Numerical simulation of Richtmyer-Meshkov instability

The compressible Navier-Stokes equations discretized with a fourth order accurate compact finite difference scheme with group velocity control are used to simulate the Richtmyer-Meshkov (R-M) instability problem produced by cylindrical shock-cylindrical material interface with shock Mach number Ms = 1.2 and density ratio 1:20 (interior density/outer density). Effect of shock refraction, reflection, interaction of the reflected shock with the material interface, and effect of initial perturbation modes on R-M instability are investigated numerically. It is noted that the shock refraction is a main physical mechanism of the initial phase changing of the material surface. The multiple interactions of the reflected shock from the origin with the interface and the R-M instability near the material interface are the reason for formation of the spike-bubble structures. Different viscosities lead to different spike-bubble structure characteristics. The vortex pairing phenomenon is found in the initial double mode simulation. The mode interaction is the main factor of small structures production near the interface.

Upwind compact method and direct numerical-simulation of driven flow in a square cavity

A high-order accurate finite-difference scheme, the upwind compact method, is proposed. The 2-D unsteady incompressible Navier-Stokes equations are solved in primitive variables. The nonlinear convection terms in the governing equations are approximated by using upwind biased compact difference, and other spatial derivative terms are discretized by using the fourth-order compact difference. The upwind compact method is used to solve the driven flow in a square cavity. Solutions are obtained for Reynolds numbers as high as 10000. When Re less than or equal to 5000, the results agree well with those in literature. When Re = 7500 and Re = 10000, there is no convergence to a steady laminar solution, and the flow becomes unsteady and periodic.

Receptivity to free-stream disturbance waves for blunt cone axial symmetry hypersonic boundary layer

Based on high-order compact upwind scheme, a high-order shock-fitting finite difference scheme is studied to simulate the generation of boundary layer disturbance waves due to free-stream waves. Both steady and unsteady flow solutions of the receptivity problem are obtained by resolving the full Navier-Stokes equations. The interactions of bow-shock and free-stream disturbance are researched. Direct numerical simulation (DNS) of receptivity to free-stream disturbances for blunt cone hypersonic boundary layers is performed.

可压缩流气动声场的数值模拟

气动声学是一门流动力学和声学之间的交叉学科，主要研究流动及其与物体相互作用产生噪声的机理。动用计算技术研究气动声学问题的手段称为计算气动声学。本文的目的是，基于高精度数值算法的研究，分别运用Lighthill比拟理论、Kirchhoff积分和直接数值模拟等方法，针对翼型绕流、激波-涡干扰和轴对称射流，研究了物面非定常脉动压力、涡脱落、激波-涡干扰以及涡对并等产生噪声的机理。首先针对声场与主流场在能级和特征尺度等方面的差异，从空间离散角度分析了几种差分格式，表明迎风紧致格式/对称紧致格式有较小的数值色散、耗散和各向异性误差，因而适用于气动噪声的计算。以Runge-Kutta格式为例，对时间离散带来的误差进行了分析。指出对声波计算来说，仅考虑格式稳定性是不够的，时间步长还受到允许色散误差和耗散误差的限制。基于保色戎关系的思想，构造了优化Runge-Kutta格式。处例显示优化Runge-Kutta格式相对于经典格式有更高的计算效率。采用3阶迎风紧致格式和3阶Runge-Kutta格式数值模拟了NACA0012翼型的可压缩非定常绕流流场，并将此流场作为近场声源，运用声学比拟理论对偶极子声和四极子声进行研究。结果指出，主流速度对远场声压有决定性影响，在来流马赫数较大时，四极子噪声和偶极子噪声具有相同量级，不能被忽略，表明了可压缩效应对声场的影响。采用5阶迎风紧致格式和4阶Runge-Kutta格式求解非定常可压缩Navier-Stokes方程，对激波-单涡/双涡干扰导致的声场进行了直接数值模拟。详细研究了激波-涡干扰产生噪声的机理，指出噪声的产生及其性质和激波变形密切相关。研究了近场噪声衰减和传播距离r的关系，发现噪声衰减大致和r~(4/5)而不是r~(1/2)成反比关系，提出这种差异是由流场的非线性效应引起的。构造了Kirchhoff积分和非定常流动计算相结合的算法。采用5阶迎风紧致格式和3阶Runge-Kutta格式对亚声速轴对称射流进行直接数值模拟。将射流流场作为近场声源，结合Kirchhoff方法求解远场 气动噪声。数值结果表明远场噪声具有方向性，噪声声压在离开对称轴20°处达到最大值。随着传播距离增大，噪声方向性逐渐减弱。

Pulsed neutron experiments in graphite

Detailed pulsed neutron measurements have been performed in graphite assemblies ranging in size from 30.48 cm x 38.10 cm x 38.10 cm to 91.44 cm x 66.67 cm x 66.67 cm. Results of the measurement have been compared to a modeled theoretical computation.

In the first set of experiments, we measured the effective decay constant of the neutron population in ten graphite stacks as a function of time after the source burst. We found the decay to be non-exponential in the six smallest assemblies, while in three larger assemblies the decay was exponential over a significant portion of the total measuring interval. The decay in the largest stack was exponential over the entire ten millisecond measuring interval. The non-exponential decay mode occurred when the effective decay constant exceeded 1600 sec^( -1).

In a second set of experiments, we measured the spatial dependence of the neutron population in four graphite stacks as a function of time after the source pulse. By doing an harmonic analysis of the spatial shape of the neutron distribution, we were able to compute the effective decay constants of the first two spatial modes. In addition, we were able to compute the time dependent effective wave number of neutron distribution in the stacks.

Finally, we used a Laplace transform technique and a simple modeled scattering kernel to solve a diffusion equation for the time and energy dependence of the neutron distribution in the graphite stacks. Comparison of these theoretical results with the results of the first set of experiments indicated that more exact theoretical analysis would be required to adequately describe the experiments.

The implications of our experimental results for the theory of pulsed neutron experiments in polycrystalline media are discussed in the last chapter.

Gauge Invariant Spectral Cauchy Characteristic Extraction of Gravitational Waves in Computational General Relativity

We present a complete system for Spectral Cauchy characteristic extraction (Spectral CCE). Implemented in C++ within the Spectral Einstein Code (SpEC), the method employs numerous innovative algorithms to efficiently calculate the Bondi strain, news, and flux.

Spectral CCE was envisioned to ensure physically accurate gravitational wave-forms computed for the Laser Interferometer Gravitational wave Observatory (LIGO) and similar experiments, while working toward a template bank with more than a thousand waveforms to span the binary black hole (BBH) problem’s seven-dimensional parameter space.

The Bondi strain, news, and flux are physical quantities central to efforts to understand and detect astrophysical gravitational wave sources within the Simulations of eXtreme Spacetime (SXS) collaboration, with the ultimate aim of providing the first strong field probe of the Einstein field equation.

In a series of included papers, we demonstrate stability, convergence, and gauge invariance. We also demonstrate agreement between Spectral CCE and the legacy Pitt null code, while achieving a factor of 200 improvement in computational efficiency.

Spectral CCE represents a significant computational advance. It is the foundation upon which further capability will be built, specifically enabling the complete calculation of junk-free, gauge-free, and physically valid waveform data on the fly within SpEC.

Kinetics and mechanisms of adsorption of Escherichia coli bacteriophage T_4 to activated carbon

A study was conducted on the adsorption of Escherichia coli bacteriophage T₄ to activated carbon. Preliminary adsorption experiments were also made with poliovirus Type III. The effectiveness of such adsorbents as diatomaceous earth, Ottawa sand, and coconut charcoal was also tested for virus adsorption.

The kinetics of adsorption were studied in an agitated solution containing virus and carbon. The mechanism of attachment and site characteristics were investigated by varying pH and ionic strength and using site-blocking reagents.

Plaque assay procedures were developed for bacteriophage T₄ on Escherichia coli cells and poliovirus Type III on monkey kidney cells. Factors influencing the efficiency of plaque formation were investigated.

The kinetics of bacteriophage T₄ adsorption to activated carbon can be described by a reversible second-order equation. The reaction order was first order with respect to both virus and carbon concentration. This kinetic representation, however, is probably incorrect at optimum adsorption conditions, which occurred at a pH of 7.0 and ionic strength of 0.08. At optimum conditions the adsorption rate was satisfactorily described by a diffusion-limited process. Interpretation of adsorption data by a development of the diffusion equation for Langmuir adsorption yielded a diffusion coefficient of 12 X 10^-8 cm²/sec for bacteriophage T₄. This diffusion coefficient is in excellent agreement with the accepted value of 8 X 10^-8 cm²/sec. A diffusion-limited theory may also represent adsorption at conditions other than the maximal. A clear conclusion on the limiting process cannot be made.

Adsorption of bacteriophage T₄ to activated carbon obeys the Langmuir isotherm and is thermodynamically reversible. Thus virus is not inactivated by adsorption. Adsorption is unimolecular with very inefficient use of the available carbon surface area. The virus is probably completely excluded from pores due to its size.

Adsorption is of a physical nature and independent of temperature. Attraction is due to electrostatic forces between the virus and carbon. Effects of pH and ionic strength indicated that carboxyl groups, amino groups, and the virus's tail fibers are involved in the attachment of virus to carbon. The active sites on activated carbon for adsorption of bacteriophage T₄ are carboxyl groups. Adsorption can be completely blocked by esterifying these groups.