A high order accurate difference scheme for complex flow fields

A high order accurate finite difference method for direct numerical simulation of coherent structure in the mixing layers is presented. The reason for oscillation production in numerical solutions is analyzed, It is caused by a nonuniform group velocity of wavepackets. A method of group velocity control for the improvement of the shock resolution is presented. In numerical simulation the fifth-order accurate upwind compact difference relation is used to approximate the derivatives in the convection terms of the compressible N-S equations, a sixth-order accurate symmetric compact difference relation is used to approximate the viscous terms, and a three-stage R-K method is used to advance in time. In order to improve the shock resolution the scheme is reconstructed with the method of diffusion analogy which is used to control the group velocity of wavepackets. (C) 1997 Academic Press.

A perturbational h4 exponential finite-difference scheme for the convective diffusion equation

A perturbational h4 compact exponential finite difference scheme with diagonally dominant coefficient matrix and upwind effect is developed for the convective diffusion equation. Perturbations of second order are exerted on the convective coefficients and source term of an h2 exponential finite difference scheme proposed in this paper based on a transformation to eliminate the upwind effect of the convective diffusion equation. Four numerical examples including one- to three-dimensional model equations of fluid flow and a problem of natural convective heat transfer are given to illustrate the excellent behavior of the present exponential schemes, the h4 accuracy of the perturbational scheme is verified using double precision arithmetic.

Upwind compact scheme with dispersion control for aerodynamic equations

A compact upwind scheme with dispersion control is developed using a dissipation analogy of the dispersion term. The term is important in reducing the unphysical fluctuations in numerical solutions. The scheme depends on three free parameters that may be used to regulate the size of dissipation as well as the size and direction of dispersion. A coefficient to coordinate the dispersion is given. The scheme has high accuracy, the method is simple, and the amount of computation is small. It also has a good capability of capturing shock waves. Numerical experiments are carried out with two-dimensional shock wave reflections and the results are very satisfactory.

H4 exponential finite-difference scheme for convective diffusion-equations

Perturbations are applied to the convective coefficients and source term of a convection-diffusion equation so that second-order corrections may be applied to a second-order exponential scheme. The basic Structure of the equations in the resulting fourth-order scheme is identical to that for the second order. Furthermore, the calculations are quite simple as the second-order corrections may be obtained in a single pass using a second-order scheme. For one to three dimensions, the fourth-order exponential scheme is unconditionally stable. As examples, the method is applied to Burgers' and other fluid mechanics problems. Compared with schemes normally used, the accuracies are found to be good and the method is applicable to regions with large gradients.

Non-axisymmetric magnetostatic equilibrium with strong twisted component of magnetic field

The perturbation theory is applied further to the discussion of the equilibrium properties of a sunspot-like magnetic field with a strong twisted component. The basic state reduces to the usual one discussed extensively for the axisymmetric magnetostatic equilibrium with twisted component of magnetic field, and the perturbed state is described by two coupled equations. As the magnetic force-line is twisted, there is a magnetic tension in the azimuthal direction. In this case, the perturbed total pressure is no longer independent of the azimuthal variable θ, and the magnetic field in the dark penumbal fibril may be either stronger or weaker relatively.

Starting Nozzle Flow Simulation Using K-G Two-Equation Turbulence Model

The starting process of two-dimensional nozzle flows has been simulated with Euler, laminar and k - g two-equation turbulence Navier-Stokes equations. The flow solver is based on a combination of LUSGS subiteration implicit method and five spatial discretized schemes, which are Roe, HLLE, MHLLE upwind schemes and AUSM+, AUSMPW schemes. In the paper, special attention is for the flow differences of the nozzle starting process obtained from different governing equations and different schemes. Two nozzle flows, previously investigated experimentally and numerically by other researchers, are chosen as our examples. The calculated results indicate the carbuncle phenomenon and unphysical oscillations appear more or less near a wall or behind strong shock wave except using HLLE scheme, and these unphysical phenomena become more seriously with the increase of Mach number. Comparing the turbulence calculation, inviscid solution cannot simulate the wall flow separation and the laminar solution shows some different flow characteristics in the regions of flow separation and near wall.

Measurement of Electron Density Profile Behind Strong Shock Waves with a Langmuir Probe

At the shock velocity range of 7~9km/s, the variations of electron density behind strong normal shock waves are measured in a low-density shock tube by using the Langmuir electrostatic probe technique. The electron temperature, calculated based on Park’s three-temperature model, is used in interpreting the probe current data. The peak electron densities determined in the present experiment are shown to be in a good agreement with those predicted by Lin’s calculation. The experimentally obtained ratios of the characteristic ionization distance to the mean free path of freestream ahead of the shock wave are found to be in a good agreement with the existing experiments and Park’s calculation.

3D Finite Volume Scheme for Czochralski Crystal Growth

A general three-dimensional model is developed for simulation of the growth process of silicon single crystals by Czochralski technique. The numerical scheme is based on the curvilinear non-orthogonal finite volume discretization. Numerical solutions show that the flow and temperature fields in the melt are asymmetric and unsteady for 8’’ silicon growth. The effects of rotation of crystal on the flow structure are studied. The rotation of crystal forms the Ekman layer in which the temperature gradient along solid/melt surface is small.

3D Finite Volume Scheme for Czochralski Single Crystal Growth

Czochralski (Cz) technique, which is used for growing single crystals, has dominated the production of single crystals for electronic applications. The Cz growth process involves multiple phases, moving interface and three-dimensional behavior. Much has been done to study these phenomena by means of numerical methods as well as experimental observations. A three-dimensional curvilinear finite volume based algorithm has been developed to model the Cz process. A body-fitted transformation based approach is adopted in conjunction with a multizone adaptive grid generation (MAGG) technique to accurately handle the three-dimensional problems of phase-change in irregular geometries with free and moving surfaces. The multizone adaptive model is used to perform a three-dimensional simulation of the Cz growth of silicon single crystals.Since the phase change interface are irregular in shape and they move in response to the solution, accurate treatment of these interfaces is important from numerical accuracy point of view. The multizone adaptive grid generation (MAGG) is the appropriate scheme for this purpose. Another challenge encountered is the moving and periodic boundary conditions, which is essential to the numerical solution of the governing equations. Special treatments are implemented to impose the periodic boundary condition in a particular direction and to determine the internal boundary position and shape varying with the combination of ambient physicochemical transport process and interfacial dynamics. As indicated above that the applications and processes characterized by multi-phase, moving interfaces and irregular shape render the associated physical phenomena three-dimensional and unsteady. Therefore a generalized 3D model rather than a 2D simulation, in which the governing equations are solved in a general non-orthogonal coordinate system, is constructed to describe and capture the features of the growth process. All this has been implemented and validated by using it to model the low pressure Cz growth of silicon. Accuracy of this scheme is demonstrated by agreement of simulation data with available experimental data. Using the quasi-steady state approximation, it is shown that the flow and temperature fields in the melt under certain operating conditions become asymmetric and unsteady even in the absence of extrinsic sources of asymmetry. Asymmetry in the flow and temperature fields, caused by high shear initiated phenomena, affects the interface shape in the azimuthal direction thus results in the thermal stress distribution in the vicinity, which has serious implications from crystal quality point of view.

Perturbational finite volume scheme for the one-dimensional Navier-Stokes equations

Starting from the second-order finite volume scheme,though numerical value perturbation of the cell facial fluxes, the perturbational finite volume (PFV) scheme of the Navier-Stokes (NS) equations for compressible flow is developed in this paper. The central PFV scheme is used to compute the one-dimensional NS equations with shock wave.Numerical results show that the PFV scheme can obtain essentially non-oscillatory solution.

Measurement and Calculation of Vibrational Temperature behind Strong Shock Waves

In the present paper the measured values of vibrational temperature behind strong shock waves are compared with theoretical ones. The histories of vibrational temperature behind strong shock waves in a shock tube were measured using two monochromators. The test gas was pure nitrogen at 100-300Pa, and the speeds of shock waves were 5.0-6.0km/s. The electronic temperature of N-2(+) was also approximately determined from experiment and compared with the experimental vibrational temperature. The results show that the presented calculational method is effective, and the electronic energy of N2+ is excited much faster than its vibrational energy. One Langmuir probe was used to determine the effective time of region 2. The influence of viscosity in the shock tube is also analyzed.

A special method to evaluate the strong adhesion between brittle coating and ductile substrate

The evaluation of the interfacial adhesion of coating system has always been a rough task. In this paper, a special testing method of cross-sectional indentation is applied on a model coating system, i.e. electroplated chromium on a steel substrate which is generally regarded as an example of materials pair with strong adhesion. Based on fractography analysis with SEM and interfacial stress simulation with FEM, it is found that interfacial shear stress may induce coating spalling. More interestingly, spalling location is sensitive to substrate pretreatment process. This shows the feasibility of cross-sectional indentation to distinguish interfacial strength at a high level.

Strong Strain Hardening in Nanocrystalline Nickel

Low strain hardening has hitherto been considered an intrinsic behavior for most nanocrystalline (NC) metals, due to their perceived inability to accumulate dislocations. In this Letter, we show strong strain hardening in NC nickel with a grain size of 20 nm under large plastic strains. Contrary to common belief, we have observed significant dislocation accumulation in the grain interior. This is enabled primarily by Lomer-Cottrell locks, which pin the lock-forming dislocations and obstruct islocation. motion. These observations may help with developing strong and ductile NC metals and alloys.

A scheme for multiple sequences alignment optimization-an improvement based on family representative mechanics features

As a basic tool of modern biology, sequence alignment can provide us useful information in fold, function, and active site of protein. For many cases, the increased quality of sequence alignment means a better performance. The motivation of present work is to increase ability of the existing scoring scheme/algorithm by considering residue–residue correlations better. Based on a coarse-grained approach, the hydrophobic force between each pair of residues is written out from protein sequence. It results in the construction of an intramolecular hydrophobic force network that describes the whole residue–residue interactions of each protein molecule, and characterizes protein's biological properties in the hydrophobic aspect. A former work has suggested that such network can characterize the top weighted feature regarding hydrophobicity. Moreover, for each homologous protein of a family, the corresponding network shares some common and representative family characters that eventually govern the conservation of biological properties during protein evolution. In present work, we score such family representative characters of a protein by the deviation of its intramolecular hydrophobic force network from that of background. Such score can assist the existing scoring schemes/algorithms, and boost up the ability of multiple sequences alignment, e.g. achieving a prominent increase (50%) in searching the structurally alike residue segments at a low identity level. As the theoretical basis is different, the present scheme can assist most existing algorithms, and improve their efficiency remarkably.

Generating artificial homologous proteins according to the representative family character in molecular mechanics properties - an attempt in validating an underlying rule of protein evolution

The molecular mechanics property is the foundation of many characters of proteins. Based on intramolecular hydrophobic force network, the representative family character underlying a protein’s mechanics property is described by a simple two-letter scheme. The tendency of a sequence to become a member of a protein family is scored according to this mathematical representation. Remote homologs of the WW-domain family could be easily designed using such a mechanistic signature of protein homology. Experimental validation showed that nearly all artificial homologs have the representative folding and bioactivity of their assigned family. Since the molecular mechanics property is the only consideration in this study, the results indicate its possible role in the generation of new members of a protein family during evolution.