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.

Development of a Cell Size Relaxed Scheme for the Direct Simulation Monte Carlo Method

The conventional direct simulation Monte Carlo (DSMC) method has a strong restriction on the cell size because simulated particles are selected randomly within the cell for collisions. Cells with size larger than the molecular mean free path are generally not allowed in correct DSMC simulations. However, the cell-size induced numerical error can be controlled if the gradients of flow properties are properly involved during collisions. In this study, a large cell DSMC scheme is proposed to relax the cell size restriction. The scheme is applied to simulate several test problems and promising results are obtained even when the cell size is greater than 10 mean free paths of gas molecules. However, it is still necessary, of course, that the cell size be small with respect to the flow field structures that must be resolved.

IP Simulation of Micro Gas Flows under 3-D Head Sliders

Gas film lubrication of a three-dimensional flat read-write head slider is calculated using the information preservation (IP) method and the direct simulation Monte Carlo (DSMC) method, respectively. The pressure distributions on the head slider surface at different velocities and flying heights obtained by the two methods are in excellent agreement. IP method is also employed to deal with head slider with three-dimensional complex configuration. The pressure distribution on the head slider surface and the net lifting force obtained by the IP method also agree well with those of DSMC method. Much less (of the order about 10(2) less) computational time (the sum of the time used to reach a steady stage and the time used in sampling process) is needed by the IP method than the DSMC method and such an advantage is more remarkable as the gas velocity decreases.

Computation of turbulence-generated noise by large-eddy simulation

The hybrid method of large eddy simulation (LES) and the Lighthill analogy is being developed to compute the sound radiated from turbulent flows. The results obtained from the hybrid method are often contaminated by the absence of small scales in LES, since the energy level of sound is much smaller than that of turbulent flows. Previous researches investigate the effects of subgrid sacle (SGS) eddies on the frequency spectra of sound radiated by isotropic turbulence and suggest a SGS noise model to represent the SGS contributions to the frequency spectra. Their investigations are conducted in physical space and are unavoidably influenced by boundary conditions. In this paper, we propose to perform such calculations in Fourier space so that the effects of boundary conditions can be correctly treated. Posteriori tests are carried out to investigate the SGS contribution to the sound. The results obtained recover the -7/2 law within certain wave-number ranges, but under-estimate the amplitudes of the frequency spectra. The reason for the underestimation is also discussed.

Prediction of particle distribution in isotropic turbulence by large-eddy simulation

The recent application of large-eddy simulation (LES) to particle-laden turbulence requires that the LES with a subgrid scale (SGS) model could accurately predict particle distributions. Usually, a SGS particle model is used to recover the small-scale structures of velocity fields. In this study, we propose a rescaling technique to recover the effects of small-scale motions on the preferential concentration of inertial particles. The technique is used to simulate particle distribution in isotropic turbulence by LES and produce consistent results with direct numerical simulation (DNS). Key words: particle distribution, particle-laden turbulence, large-eddy simulation, subgrid scale model.

An algorithm for coarse particle sedimentation simulation by Stokesian dynamics

Coarse Particle sedimentation is studied by using an algorithm with no adjustable parameters based on stokesian dynamics. Only inter-particle interactions of hydrodynamic force and gravity are considered. The sedimentation of a simple cubic array of spheres is used to verify the computational results. The scaling and parallelism with OpenMP of the method are presented. Random suspension sedimentation is investigated with Mont Carlo simulation. The computational results are shown in good agreement with experimental fitting at the lower computational cost of O(N In N).

Hybrid Qm/Mm Simulation Of The Hydration Phenomena Of Dipalmitoylphosphatidylcholine Headgroup

The polar headgroup of dipalmitoylphosphatidylcholine (DPPC) molecule both in gas phase and aqueous Solution is investigated by the hybrid quantum mechanical/molecular mechanical (QM/MM) method, in which the polar head of DPPC molecule and the bound water molecules are treated with density functional theory (DFT), while the apolar hydrocarbon chain of DPPC molecule is treated with MM method. It is demonstrated that the hybrid QM/MM method is both accurate and efficient to describe the conformations of DPPC headgroup. Folded structures of headgroup are found in gas phase calculations. In this work, both monohydration and polyhydration phenomena are investigated. In monohydration, different water association sites are studied. Both the hydration energy and the quantum properties of DPPC and water molecules are calculated at the DFT level of theory after geometry optimization. The binding force of monohydration is estimated by using the scan method. In polyhydration, more extended conformations are found and hydration energies in different polyhydration styles are estimated. (C) 2008 Elsevier Inc. All rights reserved.

An Atomistic-Continuum Hybrid Simulation Of Fluid Flows Over Superhydrophobic Surfaces

Recent experiments have found that slip length could be as large as on the order of 1 mu m for fluid flows over superhydrophobic surfaces. Superhydrophobic surfaces can be achieved by patterning roughness on hydrophobic surfaces. In the present paper, an atomistic-continuum hybrid approach is developed to simulate the Couette flows over superhydrophobic surfaces, in which a molecular dynamics simulation is used in a small region near the superhydrophobic surface where the continuum assumption is not valid and the Navier-Stokes equations are used in a large region for bulk flows where the continuum assumption does hold. These two descriptions are coupled using the dynamic coupling model in the overlap region to ensure momentum continuity. The hybrid simulation predicts a superhydrophobic state with large slip lengths, which cannot be obtained by molecular dynamics simulation alone.

Smaller Deborah number inducing more serrated plastic flow of metallic glass

Spherical nano-indentations of Cu46Zr54 bulk metallic glass (BMG) model systems were performed using molecular dynamics (MD) computer simulations, focusing specifically on the physical origin of serrated plastic flow. The results demonstrate that there is a direct correlation between macroscopic flow serration and underlying irreversible rearrangement of atoms, which is strongly dependent on the loading (strain) rate and the temperature. The serrated plastic flow is, therefore, determined by the magnitude of such irreversible rearrangement that is inhomogeneous temporally. A dimensionless Deborah number is introduced to characterize the effects of strain rate and temperature on serrations. Our simulations are shown to compare favorably with the available experimental observations.

Shape effects on the yield stress and deformation of silicon nanowires: A molecular dynamics simulation

The tension and compression of single-crystalline silicon nanowires (SiNWs) with different cross-sectional shapes are studied systematically using molecular dynamics simulation. The shape effects on the yield stresses are characterized. For the same surface to volume ratio, the circular cross-sectional SiNWs are stronger than the square cross-sectional ones under tensile loading, but reverse happens in compressive loading. With the atoms colored by least-squares atomic local shear strain, the deformation processes reveal that the failure modes of incipient yielding are dependent on the loading directions. The SiNWs under tensile loading slip in {111} surfaces, while the compressive loading leads the SiNWs to slip in the {110} surfaces. The present results are expected to contribute to the design of the silicon devices in nanosystems.

A kinematic subgrid scale model for large-eddy simulation of turbulence generated sound

In the hybrid approach of large-eddy simulation (LES) and Lighthill’s acoustic analogy for turbulence-generated sound, the turbulence source fields are obtained using an LES and the turbulence-generated sound at far fields is calculated from Lighthill’s acoustic analogy. As only the velocity fields at resolved scales are available from the LES, the Lighthill stress tensor, serving as a source term in Lighthill’s acoustic equation, has to be evaluated from the resolved velocity fields. As a result, the contribution from the unresolved velocity fields is missing in the conventional LES. The sound of missing scales is shown to be important and hence needs to be modeled. The present study proposes a kinematic subgrid-scale (SGS) model which recasts the unresolved velocity fields into Lighthill’s stress tensors. A kinematic simulation is used to construct the unresolved velocity fields with the imposed temporal statistics, which is consistent with the random sweeping hypothesis. The kinematic SGS model is used to calculate sound power spectra from isotropic turbulence and yields an improved result: the missing portion of the sound power spectra is approximately recovered in the LES.

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.

Subgrid scale fluid velocity timescales seen by inertial particles in large-eddy simulation of particle-laden turbulence

Large-eddy simulation (LES) has emerged as a promising tool for simulating turbulent flows in general and, in recent years,has also been applied to the particle-laden turbulence with some success (Kassinos et al., 2007). The motion of inertial particles is much more complicated than fluid elements, and therefore, LES of turbulent flow laden with inertial particles encounters new challenges. In the conventional LES, only large-scale eddies are explicitly resolved and the effects of unresolved, small or subgrid scale (SGS) eddies on the large-scale eddies are modeled. The SGS turbulent flow field is not available. The effects of SGS turbulent velocity field on particle motion have been studied by Wang and Squires (1996), Armenio et al. (1999), Yamamoto et al. (2001), Shotorban and Mashayek (2006a,b), Fede and Simonin (2006), Berrouk et al. (2007), Bini and Jones (2008), and Pozorski and Apte (2009), amongst others. One contemporary method to include the effects of SGS eddies on inertial particle motions is to introduce a stochastic differential equation (SDE), that is, a Langevin stochastic equation to model the SGS fluid velocity seen by inertial particles (Fede et al., 2006; Shotorban and Mashayek, 2006a; Shotorban and Mashayek, 2006b; Berrouk et al., 2007; Bini and Jones, 2008; Pozorski and Apte, 2009).However, the accuracy of such a Langevin equation model depends primarily on the prescription of the SGS fluid velocity autocorrelation time seen by an inertial particle or the inertial particle–SGS eddy interaction timescale (denoted by $\delt T_{Lp}$ and a second model constant in the diffusion term which controls the intensity of the random force received by an inertial particle (denoted by C_0, see Eq. (7)). From the theoretical point of view, dTLp differs significantly from the Lagrangian fluid velocity correlation time (Reeks, 1977; Wang and Stock, 1993), and this carries the essential nonlinearity in the statistical modeling of particle motion. dTLp and C0 may depend on the filter width and particle Stokes number even for a given turbulent flow. In previous studies, dTLp is modeled either by the fluid SGS Lagrangian timescale (Fede et al., 2006; Shotorban and Mashayek, 2006b; Pozorski and Apte, 2009; Bini and Jones, 2008) or by a simple extension of the timescale obtained from the full flow field (Berrouk et al., 2007). In this work, we shall study the subtle and on-monotonic dependence of $\delt T_{Lp}$ on the filter width and particle Stokes number using a flow field obtained from Direct Numerical Simulation (DNS). We then propose an empirical closure model for $\delta T_{Lp}$. Finally, the model is validated against LES of particle-laden turbulence in predicting single-particle statistics such as particle kinetic energy. As a first step, we consider the particle motion under the one-way coupling assumption in isotropic turbulent flow and neglect the gravitational settling effect. The one-way coupling assumption is only valid for low particle mass loading.

Large-eddy simulation of flows past a flapping airfoil using immersed boundary method

The numerical simulation of flows past flapping foils at moderate Reynolds numbers presents two challenges to computational fluid dynamics: turbulent flows and moving boundaries. The direct forcing immersed boundary (IB) method has been devel- oped to simulate laminar flows. However, its performance in simulating turbulent flows and transitional flows with moving boundaries has not been fully evaluated. In the present work, we use the IB method to simulate fully developed turbulent channel flows and transitional flows past a stationary/plunging SD7003 airfoil. To suppress the non-physical force oscillations in the plunging case, we use the smoothed discrete delta function for interpolation in the IB method. The results of the present work demonstrate that the IB method can be used to simulate turbulent flows and transitional flows with moving boundaries.