Computer Simulation Of Random Sphere Packing In An Arbitrarily Shaped Container

Most simulations of random sphere packing concern a cubic or cylindric container with periodic boundary, containers of other shapes are rarely studied. In this paper, a new relaxation algorithm with pre-expanding procedure for random sphere packing in an arbitrarily shaped container is presented. Boundaries of the container are simulated by overlapping spheres which covers the boundary surface of the container. We find 0.4 similar to 0.6 of the overlap rate is a proper value for boundary spheres. The algorithm begins with a random distribution of small internal spheres. Then the expansion and relaxation procedures are performed alternately to increase the packing density. The pre-expanding procedure stops when the packing density of internal spheres reaches a preset value. Following the pre-expanding procedure, the relaxation and shrinking iterations are carried out alternately to reduce the overlaps of internal spheres. The pre-expanding procedure avoids the overflow problem and gives a uniform distribution of initial spheres. Efficiency of the algorithm is increased with the cubic cell background system and double link data structure. Examples show the packing results agree well with both computational and experimental results. Packing density about 0.63 is obtained by the algorithm for random sphere packing in containers of various shapes.

Thermal fatigue on pistons induced by shaped high power laser. Part II: Design of spatial intensity distribution via numerical simulation

In the laser induced thermal fatigue simulation test on pistons, the high power laser was transformed from the incident Gaussian beam into a concentric multi-circular pattern with specific intensity ratio. The spatial intensity distribution of the shaped beam, which determines the temperature field in the piston, must be designed before a diffractive optical element (DOE) can be manufactured. In this paper, a reverse method based on finite element model (FEM) was proposed to design the intensity distribution in order to simulate the thermal loadings on pistons. Temperature fields were obtained by solving a transient three-dimensional heat conduction equation with convective boundary conditions at the surfaces of the piston workpiece. The numerical model then was validated by approaching the computational results to the experimental data. During the process, some important parameters including laser absorptivity, convective heat transfer coefficient, thermal conductivity and Biot number were also validated. Then, optimization procedure was processed to find favorable spatial intensity distribution for the shaped beam, with the aid of the validated FEM. The analysis shows that the reverse method incorporated with numerical simulation can reduce design cycle and design expense efficiently. This method can serve as a kind of virtual experimental vehicle as well, which makes the thermal fatigue simulation test more controllable and predictable. (C) 2007 Elsevier Ltd. All rights reserved.

Modeling, numerical methods, and simulation for particle-fluid two-phase flow problems

In this paper, we study the issues of modeling, numerical methods, and simulation with comparison to experimental data for the particle-fluid two-phase flow problem involving a solid-liquid mixed medium. The physical situation being considered is a pulsed liquid fluidized bed. The mathematical model is based on the assumption of one-dimensional flows, incompressible in both particle and fluid phases, equal particle diameters, and the wall friction force on both phases being ignored. The model consists of a set of coupled differential equations describing the conservation of mass and momentum in both phases with coupling and interaction between the two phases. We demonstrate conditions under which the system is either mathematically well posed or ill posed. We consider the general model with additional physical viscosities and/or additional virtual mass forces, both of which stabilize the system. Two numerical methods, one of them is first-order accurate and the other fifth-order accurate, are used to solve the models. A change of variable technique effectively handles the changing domain and boundary conditions. The numerical methods are demonstrated to be stable and convergent through careful numerical experiments. Simulation results for realistic pulsed liquid fluidized bed are provided and compared with experimental data. (C) 2004 Elsevier Ltd. All rights reserved.

Influence of liquid bridge volume on the onset of oscillation in floating-zone convection .2. Numerical-simulation

The onset of oscillation in the floating zone convection driven by the gradient of surface tension was studied numerically for an unsteady and two-dimensional model, and studies were concentrated on the influence of liquid bridge volume on the onset of oscillation in comparison with the experimental results in the Paper I. The numerical results agree with the experimental ones presented in the previous paper, in which the distributions of critical applied temperature difference depending on the volume of liquid bridge and a gap range of liquid volume in marginal stability curve were obtained.

Numerical-simulation of low supersonic-flow around a sphere

The controlled equations defined in a physical plane are changed into those in a computational plane with coordinate transformations suitable for different Mach number M(infinity). The computational area is limited in the body surface and in the vicinities of detached shock wave and sonic line. Thus the area can be greatly cut down when the shock wave moves away from the body surface as M(infinity) --> 1. Highly accurate, total variation diminishing (TVD) finite-difference schemes are used to calculate the low supersonic flowfield around a sphere. The stand-off distance, location of sonic line, etc. are well comparable with experimental data. The long pending problem concerning a flow passing a sphere at 1.3 greater-than-or-equal-to M(infinity) > 1 has been settled, and some new results on M(infinity) = 1.05 have been presented.

Numerical Simulation of Heat Transfer and Kinetics in the Bulk Growth of Silicon Carbide

The growth process of 2-inch silicon carbide (SiC) single crystals by the physical vapor transport method (or modified Lely method) has been modeled and simulated. The comprehensive process model incorporates the calculations of radio frequency (RF) induction heating, heat and mass transfer and growth kinetics. The transport equations for electromagnetic field, heat transfer, and species transport are solved using a finite volume-based numerical scheme called MASTRAPP (Multizone Adaptive Scheme for Transport and Phase Change Process). Temperature distribution for a 2-inch growth system is calculated, and the effects of induction heating frequency and current on the temperature distribution and growth rate are investigated. The predicted results have been compared with the experimental data.

Transonic Aeroelastic Numerical Simulation in Aeronautical Engineering

A lower-upper symmetric Gauss-Seidel (LU-SGS) subiteration scheme is constructed for time-marching of the fluid equations. The Harten-Lax-van Leer-Einfeldt-Wada (HLLEW) scheme is used for the spatial discretization. The same subiteration formulation is applied directly to the structural equations of motion in generalized coordinates. Through subiteration between the fluid and structural equations, a fully implicit aeroelastic solver is obtained for the numerical simulation of fluid/structure interaction. To improve the ability for application to complex configurations, a multiblock grid is used for the flow field calculation and transfinite interpolation (TFI) is employed for the adaptive moving grid deformation. The infinite plate spline (IPS) and the principal of virtual work are utilized for the data transformation between the fluid and structure. The developed code was first validated through the comparison of experimental and computational results for the AGARD 445.6 standard aeroelastic wing. Then, the flutter character of a tail wing with control surface was analyzed. Finally, flutter boundaries of a complex aircraft configuration were predicted.

Processing Simulation of Virtual Manufacture in Laser Surface Treatmenthang

Processing simulation is at the bottom of the coral technology of VM and is also difficult due to the complexity of mechanism and diversity of parameters. Previously much research has been mainly carried out on the geometrical simulation or physical simulation respectively. The aim of this paper is to study the processing simulation in laser surface treatment based on the mechanism, put forward the architecture of the whole processing simulation and give the models of the processing. As a result the data structure layers in the whole simulation is presented.

Large-eddy simulation of turbulent collision of heavy particles in isotropic turbulence

The small-scale motions relevant to the collision of heavy particles represent a general challenge to the conventional large-eddy simulation (LES) of turbulent particle-laden flows. As a first step toward addressing this challenge, we examine the capability of the LES method with an eddy viscosity subgrid scale (SGS) model to predict the collision-related statistics such as the particle radial distribution function at contact, the radial relative velocity at contact, and the collision rate for a wide range of particle Stokes numbers. Data from direct numerical simulation (DNS) are used as a benchmark to evaluate the LES using both a priori and a posteriori tests. It is shown that, without the SGS motions, LES cannot accurately predict the particle-pair statistics for heavy particles with small and intermediate Stokes numbers, and a large relative error in collision rate up to 60% may arise when the particle Stokes number is near St_K=0.5. The errors from the filtering operation and the SGS model are evaluated separately using the filtered-DNS (FDNS) and LES flow fields. The errors increase with the filter width and have nonmonotonic variations with the particle Stokes numbers. It is concluded that the error due to filtering dominates the overall error in LES for most particle Stokes numbers. It is found that the overall collision rate can be reasonably predicted by both FDNS and LES for St_K>3. Our analysis suggests that, for St_K<3, a particle SGS model must include the effects of SGS motions on the turbulent collision of heavy particles. The spectral analysis of the concentration fields of the particles with different Stokes numbers further demonstrates the important effects of the small-scale motions on the preferential concentration of the particles with small Stokes numbers.

Numerical simulation of a single fluid particle rising in non-Newtonian fluids

In this work, a level set method is developed for simulating the motion of a fluid particle rising in non-Newtonian fluids described by generalized Newtonian as well as viscoelastic model fluids. As the shear-thinning model we use a Carreau-Yasuda model, and the viscoelastic effect can be modeled with Oldroyd-B constitutive equations. The control volume formulation with the SIMPLEC algorithm incorporated is used to solve the governing equations on a staggered Eulerian grid. The level set method is implemented to compute the motion of a bubble in a Newtonian fluid as one of typical examples for validation, and the computational results are in good agreement with the reported experimental data．The level set method is also applied for simulating a Newtonian drop rising in Carreau-Yasuda and Oldroyd-B fluids．Numerical results including noticeably negative wake behind the drop and viscosity field are obtained, and compare satisfactorily with the known literature data.

An Improved CE/SE Scheme for Numerical Simulation of Gaseous and Two-Phase Detonations

A new structure of solution elements and conservation elements based on rectangular mesh was pro- posed and an improved space-time conservation element and solution element (CE/SE) scheme with sec- ond-order accuracy was constructed. Furthermore, the application of improved CE/SE scheme was extended to detonation simulation. Three models were used for chemical reaction in gaseous detonation. And a two-fluid model was used for two-phase (gas–droplet) detonation. Shock reflections were simu- lated by the improved CE/SE scheme and the numerical results were compared with those obtained by other different numerical schemes. Gaseous and gas–droplet planar detonations were simulated and the numerical results were carefully compared with the experimental data and theoretical results based on C–J theory. Mach reflection of a cellular detonation was also simulated, and the numerical cellular pat- terns were compared with experimental ones. Comparisons show that the improved CE/SE scheme is clear in physical concept, easy to be implemented and high accurate for above-mentioned problems.

Acceleration of ultra-thin electron layer.Analytical treatment compared with 1D-PIC simulation

In this paper, we apply an analytical model [V.V. Kulagin et al., Phys. Plasmas 14, 113101 (2007)] to describe the acceleration of an ultra-thin electron layer by a schematic single-cycle laser pulse and compare with one-dimensional particle-in-cell (1D-PIC) simulations. This is in the context of creating a relativistic mirror for coherent backscattering and supplements two related papers in this EPJD volume. The model is shown to reproduce the 1D-PIC results almost quantitatively for the short time of a few laser periods sufficient for the backscattering of ultra-short probe pulses.

Design of super-resolution filters with a Gaussian beam in optical data storage systems

Super-resolution filters based on a Gaussian beam are proposed to reduce the focusing spot in optical data storage systems. Both of amplitude filters and pure-phase filters are designed respectively to gain the desired intensity distributions. Their performances are analysed and compared with those based on plane wave in detail. The energy utilizations are presented. The simulation results show that our designed super-resolution filters are favourable for use in optical data storage systems in terms of performance and energy utilization.

Characterize dynamic conformational space of human CCR5 extracellular domain by molecular modeling and molecular dynamics simulation

The chemokine receptor CCR5 is the receptor for several chemokines and major coreceptor for R5 human immunodeficiency virus type-1 strains entry into cell. Three-dimensional models of CCR5 were built by using homology modeling approach and 1 ns molecular dynamics (MD) simulation, because studies of site-directed mutagenesis and chimeric receptors have indicated that the N-terminus (Nt) and extracellular loops (ECLs) of CCR5 are important for ligands binding and viral fusion and entry, special attention was focused on disulfide bond function, conformational flexibility, hydrogen bonding, electrostatic interactions, and solvent-accessible surface area of Nt and ECLs of this protein part. We found that the extracellular segments of CCR5 formed a well-packet globular domain with complex interactions occurred between them in a majority of time of MID simulation, but Nt region could protrude from this domain sometimes. The disulfide bond Cys20-Cys269 is essential in controlling specific orientation of Nt region and maintaining conformational integrity of extracellular domain. RMS comparison analysis between conformers revealed the ECL1 of CCR5 stays relative rigid, whereas the ECL2 and Nt are rather flexible. Solvent-accessible surface area calculations indicated that the charged residues within Nt and ECL2 are often exposed to solvent. Integrating these results with available experimental data, a two-step gp120-CCR5 binding mechanism was proposed. The dynamic interaction of CCR5 extracellular domain with gp120 was emphasized. (C) 2004 Elsevier B.V. All rights reserved.