Examination of the LBM in simulation of microchannel flow in transitional regime

The gas flows in micro-electro-mechanical systems possess relatively large Knudsen number and usually belong to the slip flow and transitional flow regimes. Recently the lattice Boltzmann method (LBM) was proposed by Nie et al. in Journal of Statistical Physics, vol. 107, pp. 279-289, in 2002 to simulate the microchannel and microcavity flows in the transitional flow regime. The present article intends to test the feasibility of doing so. The results of using the lattice Boltzmann method and the direct simulation Monte Carlo method show good agreement between them for small Kn (Kn = 0.0194), poor agreement for Kn = 0.194, and large deviation for Kn = 0.388 in simulating microchannel flows. This suggests that the present version of the lattice Boltzmann method is not feasible to simulate the transitional channel flow.

On the computation of space-time correlations by large-eddy simulation

The effect of subgrid-scale (SGS) modeling on velocity (space-) time correlations is investigated in decaying isotropic turbulence. The performance of several SGS models is evaluated, which shows superiority of the dynamic Smagorinsky model used in conjunction with the multiscale large-eddy simulation (LES) procedure. Compared to the results of direct numerical simulation, LES is shown to underpredict the (un-normalized) correlation magnitude and slightly overpredict the decorrelation time scales. This can lead to inaccurate solutions in applications such as aeroacoustics. The underprediction of correlation functions is particularly severe for higher wavenumber modes which are swept by the most energetic modes. The classic sweeping hypothesis for stationary turbulence is generalized for decaying turbulence and used to analyze the observed discrepancies. Based on this analysis, the time correlations are determined by the wavenumber energy spectra and the sweeping velocity, which is the square root of the total energy. Hence, an accurate prediction of the instantaneous energy spectra is most critical to the accurate computation of time correlations. (C) 2004 American Institute of Physics.

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.

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.

MD simulation of the effect of contact area and tip radius on nanoindentation

Molecular dynamics simulations of nanoindentation are performed on monocrystal copper. A new "contact atoms" method is presented for calculating the contact area. Compared with conventional methods, this method can provide the contact area more accurately not only for sink-in but also for pile-up situation. The effect of tip radius on indentation is investigated too. The results indicate that the measured hardness of the material will become higher as the tip radius increases.

Numerical simulation of drop Marangoni migration under microgravity

Thermocapillary motion of a drop in a uniform temperature gradient is investigated numerically. The three-dimensional incompressible Navier-Stokes and energy equations are solved by the finite-element method. The front tracking technique is employed to describe the drop interface. To simplify the calculation, the drop shape is assumed to be a sphere. It has been verified that the assumption is reasonable under the microgravity environment. Some calculations have been performed to deal with the thermocapillary motion for the drops of different sizes. It has been verified that the calculated results are in good agreement with available experimental and numerical results. (C) 2003 Elsevier Ltd. All rights reserved.

Molecular dynamics simulation of plastic deformation of nanotwinned copper

The plastic deformation of polycrystalline Cu with ultrathin lamella twins has been studied using molecular dynamics simulations. The results of uniaxial tensile deformation simulation show that the abundance of twin boundaries provides obstacles to dislocation motion, which in consequence leads to a high strain hardening rate in the nanotwinned Cu. We also show that the twin lamellar spacing plays a vital role in controlling the strengthening effects, i.e., the thinner the thickness of the twin lamella, the harder the material. Additionally, twin boundaries can act as dislocation nucleation sites as they gradually lose coherency at large strain. These results indicate that controlled introduction of nanosized twins into metals can be an effective way of improving strength without suppression tensile ductility. (C) 2007 American Institute of Physics.

Adsorption of His-tagged peptide to Ni, Cu and Au (100) surfaces: Molecular dynamics simulation

Molecular dynamics (MD) simulations are performed to study the interaction of His-tagged peptide with three different metal surfaces in explicit water. The equilibrium properties are analyzed by using pair correlation functions (PCF) to give an insight into the behavior of the peptide adsorption to metal surfaces in water solvent. The intermolecular interactions between peptide residues and the metal surfaces are evaluated. By pulling the peptide away from the peptide in the presence of solvent water, peeling forces are obtained and reveal the binding strength of peptide adsorption on nickel, copper and gold. From the analysis of the dynamics properties of the peptide interaction with the metal surfaces, it is shown that the affinity of peptide to Ni surface is the strongest, while on Cu and An the affinity is a little weaker. In MD simulations including metals, the His-tagged region interacts with the substrate to an extent greater than the other regions. The work presented here reveals various interactions between His-tagged peptide and Ni/Cu/Au surfaces. The interesting affinities and dynamical properties of the peptide are also derived. The results give predictions for the structure of His-tagged peptide adsorbing on three different metal surfaces and show the different affinities between them, which assist the understanding of how peptides behave on metal surfaces and of how designers select amino sequences in molecule devices design. (c) 2007 Elsevier Ltd. All rights reserved.

Computer simulation on the collision-sticking dynamics of two colloidal particles in an optical trap

Collisions of a particle pair induced by optical tweezers have been employed to study colloidal stability. In order to deepen insights regarding the collision-sticking dynamics of a particle pair in the optical trap that were observed in experimental approaches at the particle level, the authors carry out a Brownian dynamics simulation. In the simulation, various contributing factors, including the Derjaguin-Landau-Verwey-Overbeek interaction of particles, hydrodynamic interactions, optical trapping forces on the two particles, and the Brownian motion, were all taken into account. The simulation reproduces the tendencies of the accumulated sticking probability during the trapping duration for the trapped particle pair described in our previous study and provides an explanation for why the two entangled particles in the trap experience two different statuses. (c) 2007 American Institute of Physics.

A coupled model for multiphase fluid flow and sedimentation deformation in oil reservoir and its numerical simulation

A mathematical model for coupled multiphase fluid flow and sedimentation deformation is developed based on fluid-solid interaction mechanism. A finite difference-finite element numerical approach is presented. The results of an example show that the fluid-solid coupled effect has great influence on multiphase fluid flow and reservoir recovery performances, and the coupled model has practical significance for oilfield development.

Collective evolution characteristics and computer simulation of short fatigue cracks

Fatigue testing was conducted using a kind of triangular isostress specimen to obtain the short-fatigue-crack behaviour of a weld low-carbon steel. The experimental results show that short cracks continuously initiate at slip bands within ferrite grain domains and the crack number per unit area gradually increases with increasing number of fatigue cycles. The dispersed short cracks possess an orientation preference, which is associated with the crystalline orientation of the relevant slip system. Based on the observed collective characteristics, computer modelling was carried out to simulate the evolution process of initiation, propagation and coalescence of short cracks. The simulation provides progressive displays which imitate the appearance of experimental observations. The results of simulation indicate that the crack path possesses a stable value of fractal dimension whereas the critical value of percolation covers a wide datum band, suggesting that the collective evolution process of short cracks is sensitive to the pattern of crack site distribution.

Investigation on a simulation model of floating half zone convection .2. Experiment

A simulation model of floating half zone with non-uniform temperature distribution at the upper rod and uniform temperature distribution at lower rod was discussed by numerical investigation in a previous paper. In the present paper, the experimental investigation of the simulation model is given generally. The results of the present model show that the temperature profile is quite different and the critical applied temperature difference is lower than the one of usual model with same geometrical parameters in most cases. The features of critical Marangoni number depending on the liquid bridge volume are also different from the ones of usual model.

Two-dimensional fluid model simulation of bell jar top inductively coupled plasma

In the present paper, argon (Ar) plasmas in a bell jar inductively coupled plasma (ICP) source are systematically studied over pressures from 5 to 20 mtorr and power inputs from 0.2 to 0.5 kW. In this study, both a two-dimensional (2-D) fluid model simulation and global model calculation are compared, The 2-D fluid model simulation with a self-consistent power deposition is developed to describe the Ar plasma behavior as well as predict the plasma parameter distributions, Finally, a quantitative comparison between the global model and the fluid model is made to test their validity.

Numerical simulation of coherent structure in two-dimensional compressible mixing layers

The coherent structure in two-dimensional mixing layers is simulated numerically with the compressible Navier-Stokes equations. The Navier-Stokes equations are discretized with high-order accurate upwind compact schemes. The process of development of flow structure is presented: loss of stability, development of Kelvin-Helmholtz instability, rolling up and pairing. The time and space development of the plane mixing layer and influence of the compressibility are investigated.

Numerical investigation on a simulation model of floating zone convection

A simulation model with adiabatic condition at the upper rod and constant temperature at the lower rod is studied numerically in this paper. The temperature distribution in a simulation model is closer to the one in the half part of a floating full zone in comparison with the one in a usual floating half zone model with constant temperature at both rods, because the temperature distribution of a floating full zone is symmetric for the middle plane in a microgravity environment. The results of the simulation model show that the temperature profiles and the how patterns are different from those of the usual floating half zone model. Another type of half zone model, with a special non-uniform temperature distribution at the upper rod and constant temperature at the lower rod, has been suggested by recent experiments. The temperature boundary condition of the upper rod has a maximum value in the center and a lower value near the free surface. This modified simulation model is also simulated numerically in the present paper. Copyright (C)1996 Elsevier Science Ltd.