Numerical Simulation of Gaseous Detonation of H_2-O_2 Mixture with Detailed Chemical Reaction Model

采用高精度的ENO格式和基于基元化学反应的真实化学反应模型求解氢氧混合气体一维爆轰波的精细结构。采用直接起爆方法得到稳定传播的爆轰波,计算的爆轰波阵面参数和实验相当符合。对爆轰波反应区化学反应的研究表明,参与反应的不同组分具有不同类型的变化特征。网格尺寸影响的研究表明,计算结果的精度随着网格尺寸的增加而增加,并能保持较好的收敛性。移动网格研究结果表明,网格运动速度和爆轰速度接近时,两者的相互作用对计算结果产生一定影响。

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 standing solitons and their interaction

Standing soliton was studied by numerical simulation of ifs governing equation, a cubic Schrodiger equation with a complex conjugate term, which was derived by Miles and was accepted. The value of linear damping in Miles equation was studied. Calculations showed that linear damping effects strongly on the formation of a standing soliton and Laedke and Spatschek stable condition is only a necessary condition, but not a sufficient one. The interaction of two standing solitons was simulated. Simulations showed that the interaction pattern depends on system parameters. Calculations for the different initial condition and its development indicated that a stable standing soliton can be fanned only for proper initial disturbance, otherwise the disturbance will disappear or develop into several solitons.

Numerical Simulation of the Flow Field and Concentration Distribution in the Bulk Growth of Silicon Carbide Crystals

The physical vapor transport (PVT) method is being widely used to grow large-size single SiC crystals. The growth process is associated with heat and mass transport in the growth chamber, chemical reactions among multiple species as well as phase change at the crystal/gas interface. The current paper aims at studying and verifying the transport mechanism and growth kinetics model by demonstrating the flow field and species concentration distribution in the growth system. We have developed a coupled model, which takes into account the mass transport and growth kinetics. Numerical simulation is carried out by employing an in-house developed software based on finite volume method. The results calculated are in good agreement with the experimental observation.

Effects of Subgrid-Scale Modeling on Time Correlations in Large Eddy Simulation

The effects of the unresolved subgrid-scale (SGS) motions on the energy balance of the resolved scales in large eddy simulation (LES) have been investigated actively because modeling the energy transfer between the resolved and unresolved scales is crucial to constructing accurate SGS models. But the subgrid scales not only modify the energy balance, they also contribute to temporal decorrelation of the resolved scales. The importance of this effect in applications including the predictability problem and the evaluation of sound radiation by turbulent flows motivates the present study of the effect of SGS modeling on turbulent time correlations. This paper compares the two-point, two-time Eulerian velocity correlation in isotropic homogeneous turbulence evaluated by direct numerical simulation (DNS) with the correlations evaluated by LES using a standard spectral eddy viscosity. It proves convenient to express the two-point correlations in terms of spatial Fourier decomposition of the velocity field. The LES fields are more coherent than the DNS fields: their time correlations decay more slowly at all resolved scales of motion and both their integral scales and microscales are larger than those of the DNS field. Filtering alone is not responsible for this effect: in the Fourier representation, the time correlations of the filtered DNS field are identical to those of the DNS field itself. The possibility of modeling the decorrelating effects of the unresolved scales of motion by including a random force in the model is briefly discussed. The results could have applications to the problem of computing sound sources in isotropic homogeneous turbulence by LES

Dependence of collision frequency on distance between two hard-sphere particles estimated by computer simulation

A Monte Carlo simulation is performed to study the dependence of collision frequency on interparticle distance for a system composed of two hard-sphere particles. The simulation quantitatively shows that the collision frequency drops down sharply as the distance between two particles increases. This characteristic provides a useful evidence for the collision-reaction dynamics of aggregation process for the two-particle system described in the other reference.

Correlative reference model and molecular dynamics simulation of dislocation emission process

A correlative reference model for computer molecular dynamics simulations is proposed. Based on this model, a flexible displacement boundary scheme is introduced and the dislocations emitted from a crack tip can continuously pass through the border of the inner discrete atomic region and pile up at the outer continuum region. The effect of the emitted dislocations within the plastic zone on the inner atomistic region can be clearly demonstrated. The simulations for a molybdinum crystal show that a full dislocation in a bcc crystal is dissociated into three partial dislocations and interaction between the crack and the emitted dislocations results in gradual decrease of the local stress intensity factor.

Numerical simulation of magnetic field design for damping thermocapillary convection in a floating half-zone

The magnetic fields produced by electrical coils are designed for damping the the thermocapillary convection in a floating half-zone in microgravity. The fields are designed specially to reduce the flow near the free surface and then in the melt zone by adjusting the longitudinal coil positions close to the melt zone. The effects of the designed magnetic fields on reducing the flow velocity and temperature distribution non-uniformity in the melt zone are stronger than those of the case of an uniform longitudinal magnetic field obtained by numerical simulation, particularly at the melt-rod interface. It brings fundamental insights into the heat and mass transfer control at the solidification interface by the magnetic field design for crystal growth by the floating full-zone method.

Analysis of super compact finite difference method and application to simulation of vortex-shock interaction

Turbulence and aeroacoustic noise high-order accurate schemes are required, and preferred, for solving complex flow fields with multi-scale structures. In this paper a super compact finite difference method (SCFDM) is presented, the accuracy is analysed and the method is compared with a sixth-order traditional and compact finite difference approximation. The comparison shows that the sixth-order accurate super compact method has higher resolving efficiency. The sixth-order super compact method, with a three-stage Runge-Kutta method for approximation of the compressible Navier-Stokes equations, is used to solve the complex flow structures induced by vortex-shock interactions. The basic nature of the near-field sound generated by interaction is studied.

Numerical Simulation of Transient Thermal Features in the Remelting Processing of Stainless Steel

应用有限元方法对层流等离子体射流不锈钢表面重熔工艺中的瞬态热物理现象进行了数值模拟研究.针对不同加热距离,确定了材料熔化和凝固过程中的瞬态温度场、温度梯度和凝固率的时间和空间分布特征.通过引入等效温度面积密度概念,研究了不锈钢重熔热处理的适合条件.结果表明,9～13mm的范围是较为适宜的加热距离,该结果与试验观察基本符合.

Molecular dynamics simulation of hydrogen enhancing dislocation emission

The interactive pair potential between Al and H is obtained based on the ab initio calculation and the Chen-Mobius 3D lattice inversion formula. By utilizing the pair potentials calculated, the effects of hydrogen on the dislocation emission from crack tip have been studied. The simulated result shows that hydrogen can reduce the cohesive strength for Al single crystal, and then the critical stress intensity factor for partial dislocation emission decreases from 0.11 MPa root m (C-H = 0) to 0.075 MPa root m (C-H=0.72%) and 0.06 MPa root m (C-H = 1.44%). This indicates thar hydrogen can enhance the dislocation emission. The simulation also shows that atoms of hydrogen can gather and turn into small bubbles, resulting in enhancement of the equilibrium vacancy concentration.

Sensitivity Analysis of Dimensionless Parameters for Physical Simulation of Water-Flooding Reservoir

A numerical approach to optimize dimensionless parameters of water-flooding porous media flows is proposed based on the analysis of the sensitivity factor defined as the variation ration of a target function with respect to the variation of dimensionless parameters. A complete set of scaling criteria for water-flooding reservoir of five-spot well pattern case is derived from the 3-D governing equations, involving the gravitational force, the capillary force and the compressibility of water, oil and rock. By using this approach, we have estimated the influences of each dimensionless parameter on experimental results and thus sorted out the dominant ones with larger sensitivity factors ranging from10-4to10-0 .

Unsteady Model of Drop Marangoni Migration in Microgravity

The experiments of drop Marangoni migration have been performed by the drop shift facility of short period of 4.5 s, and the drop accelerates gradually to an asymptotic velocity during the free fall. The unsteady and axisymmetric model is developed to study the drop migration for the case of moderate Reynolds number Re = O(1), and the results are compared with the experimental ones in the present paper. Both numerical and experimental results show that the migration velocity for moderate Reynolds number is several times smaller than that given by the linear YGB theory.

Simulation of the Load-Unload Response Ratio and Critical Sensitivity in the Lattice Solid Model

The Load-Unload Response Ratio (LURR) method is an intermediate-term earthquake prediction approach that has shown considerable promise. It involves calculating the ratio of a specified energy release measure during loading and unloading where loading and unloading periods are determined from the earth tide induced perturbations in the Coulomb Failure Stress on optimally oriented faults. In the lead-up to large earthquakes, high LURR values are frequently observed a few months or years prior to the event. These signals may have a similar origin to the observed accelerating seismic moment release (AMR) prior to many large earthquakes or may be due to critical sensitivity of the crust when a large earthquake is imminent. As a first step towards studying the underlying physical mechanism for the LURR observations, numerical studies are conducted using the particle based lattice solid model (LSM) to determine whether LURR observations can be reproduced. The model is initialized as a heterogeneous 2-D block made up of random-sized particles bonded by elastic-brittle links. The system is subjected to uniaxial compression from rigid driving plates on the upper and lower edges of the model. Experiments are conducted using both strain and stress control to load the plates. A sinusoidal stress perturbation is added to the gradual compressional loading to simulate loading and unloading cycles and LURR is calculated. The results reproduce signals similar to those observed in earthquake prediction practice with a high LURR value followed by a sudden drop prior to macroscopic failure of the sample. The results suggest that LURR provides a good predictor for catastrophic failure in elastic-brittle systems and motivate further research to study the underlying physical mechanisms and statistical properties of high LURR values. The results provide encouragement for earthquake prediction research and the use of advanced simulation models to probe the physics of earthquakes.

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.