Minimum error solutions of the Boltzmann equation for shock structure

‘Best’ solutions for the shock-structure problem are obtained by solving the Boltzmann equation for a rigid sphere gas by applying minimum error criteria on the Mott-Smith ansatz. The use of two such criteria minimizing respectively the local and total errors, as well as independent computations of the remaining error, establish the high accuracy of the solutions, although it is shown that the Mott-Smith distribution is not an exact solution of the Boltzmann equation even at infinite Mach number. The minimum local error method is found to be particularly simple and efficient. Adopting the present solutions as the standard of comparison, it is found that the widely used v2x-moment solutions can be as much as a third in error, but that results based on Rosen's method provide good approximations. Finally, it is shown that if the Maxwell mean free path on the hot side of the shock is chosen as the scaling length, the value of the density-slope shock thickness is relatively insensitive to the intermolecular potential. A comparison is made on this basis of present results with experiment, and very satisfactory quantitative agreement is obtained.

Chapman-Enskog analysis for finite-volume formulation of lattice Boltzmann equation

The classical Chapman-Enskog expansion is performed for the recently proposed finite-volume formulation of lattice Boltzmann equation (LBE) method D.V. Patil, K.N. Lakshmisha, Finite volume TVD formulation of lattice Boltzmann simulation on unstructured mesh, J. Comput. Phys. 228 (2009) 5262-5279]. First, a modified partial differential equation is derived from a numerical approximation of the discrete Boltzmann equation. Then, the multi-scale, small parameter expansion is followed to recover the continuity and the Navier-Stokes (NS) equations with additional error terms. The expression for apparent value of the kinematic viscosity is derived for finite-volume formulation under certain assumptions. The attenuation of a shear wave, Taylor-Green vortex flow and driven channel flow are studied to analyze the apparent viscosity relation.

Finite volume TVD formulation of lattice Boltzmann simulation on unstructured mesh

A numerical scheme is presented for accurate simulation of fluid flow using the lattice Boltzmann equation (LBE) on unstructured mesh. A finite volume approach is adopted to discretize the LBE on a cell-centered, arbitrary shaped, triangular tessellation. The formulation includes a formal, second order discretization using a Total Variation Diminishing (TVD) scheme for the terms representing advection of the distribution function in physical space, due to microscopic particle motion. The advantage of the LBE approach is exploited by implementing the scheme in a new computer code to run on a parallel computing system. Performance of the new formulation is systematically investigated by simulating four benchmark flows of increasing complexity, namely (1) flow in a plane channel, (2) unsteady Couette flow, (3) flow caused by a moving lid over a 2D square cavity and (4) flow over a circular cylinder. For each of these flows, the present scheme is validated with the results from Navier-Stokes computations as well as lattice Boltzmann simulations on regular mesh. It is shown that the scheme is robust and accurate for the different test problems studied.

Simulation of laminar flow in a three-dimensional lid-driven cavity by lattice Boltzmann method

Purpose - The purpose of this paper is to apply lattice Boltzmann equation method (LBM) with multiple relaxation time (MRT) model, to investigate lid-driven flow in a three-dimensional (3D), rectangular cavity, and compare the results with flow in an equivalent two-dimensional (2D) cavity. Design/methodology/approach - The second-order MRT model is implemented in a 3D LBM code. The flow structure in cavities of different aspect ratios (0.25-4) and Reynolds numbers (0.01-1000) is investigated. The LBM simulation results are compared with those from numerical solution of Navier-Stokes (NS) equations and with available experimental data. Findings - The 3D simulations demonstrate that 2D models may predict the flow structure reasonably well at low Reynolds numbers, but significant differences with experimental data appear at high Reynolds numbers. Such discrepancy between 2D and 3D results are attributed to the effect of boundary layers near the side-walls in transverse direction (in 3D), due to which the vorticity in the core-region is weakened in general. Secondly, owing to the vortex stretching effect present in 3D flow, the vorticity in the transverse plane intensifies whereas that in the lateral plane decays, with increase in Reynolds number. However, on the symmetry-plane, the flow structure variation with respect to cavity aspect ratio is found to be qualitatively consistent with results of 2D simulations. Secondary flow vortices whose axis is in the direction of the lid-motion are observed; these are weak at low. Reynolds numbers, but become quite strong at high Reynolds numbers. Originality/value - The findings will be useful in the study of variety of enclosed fluid flows.

Monte carlo simulation for molecular gas dynamics

The dynamics of low-density flows is governed by the Boltzmann equation of the kinetic theory of gases. This is a nonlinear integro-differential equation and, in general, numerical methods must be used to obtain its solution. The present paper, after a brief review of Direct Simulation Monte Carlo (DSMC) methods due to Bird, and Belotserkovskii and Yanitskii, studies the details of theDSMC method of Deshpande for mono as well as multicomponent gases. The present method is a statistical particle-in-cell method and is based upon the Kac-Prigogine master equation which reduces to the Boltzmann equation under the hypothesis of molecular chaos. The proposed Markoff model simulating the collisions uses a Poisson distribution for the number of collisions allowed in cells into which the physical space is divided. The model is then extended to a binary mixture of gases and it is shown that it is necessary to perform the collisions in a certain sequence to obtain unbiased simulation.

The Boltzmann collision integrals for a combination of Maxwellians

The gain and loss integrals in the Boltzmann equation for a rigid sphere gas are evaluated in closed form for a distribution which can be expressed as a linear combination of Maxwellians. Application to the Mott-Smith bimodal distribution shows that the gain is also bimodal, but the two modes in the gain are less pronounced than in the distribution. Implications of these results for simple collision models in non-equilibrium flow are discussed.

Two-dimensional flow past circular cylinders using finite volume lattice Boltzmann formulation

In this article, an extension to the total variation diminishing finite volume formulation of the lattice Boltzmann equation method on unstructured meshes was presented. The quadratic least squares procedure is used for the estimation of first-order and second-order spatial gradients of the particle distribution functions. The distribution functions were extrapolated quadratically to the virtual upwind node. The time integration was performed using the fourth-order RungeKutta procedure. A grid convergence study was performed in order to demonstrate the order of accuracy of the present scheme. The formulation was validated for the benchmark two-dimensional, laminar, and unsteady flow past a single circular cylinder. These computations were then investigated for the low Mach number simulations. Further validation was performed for flow past two circular cylinders arranged in tandem and side-by-side. Results of these simulations were extensively compared with the previous numerical data. Copyright (C) 2011 John Wiley & Sons, Ltd.

Modeling of Channel Potential and Subthreshold Slope of Symmetric Double-Gate Transistor

A new physically based classical continuous potential distribution model, particularly considering the channel center, is proposed for a short-channel undoped body symmetrical double-gate transistor. It involves a novel technique for solving the 2-D nonlinear Poisson's equation in a rectangular coordinate system, which makes the model valid from weak to strong inversion regimes and from the channel center to the surface. We demonstrated, using the proposed model, that the channel potential versus gate voltage characteristics for the devices having equal channel lengths but different thicknesses pass through a single common point (termed ``crossover point''). Based on the potential model, a new compact model for the subthreshold swing is formulated. It is shown that for the devices having very high short-channel effects (SCE), the effective subthreshold slope factor is mainly dictated by the potential close to the channel center rather than the surface. SCEs and drain-induced barrier lowering are also assessed using the proposed model and validated against a professional numerical device simulator.

Dynamics of a dilute sheared inelastic fluid. II. The effect of correlations

The effect of correlations on the viscosity of a dilute sheared inelastic fluid is analyzed using the ring-kinetic equation for the two-particle correlation function. The leading-order contribution to the stress in an expansion in epsilon=(1-e)(1/2) is calculated, and it is shown that the leading-order viscosity is identical to that obtained from the Green-Kubo formula, provided the stress autocorrelation function in a sheared steady state is used in the Green-Kubo formula. A systemmatic extension of this to higher orders is also formulated, and the higher-order contributions to the stress from the ring-kinetic equation are determined in terms of the terms in the Chapman-Enskog solution for the Boltzmann equation. The series is resummed analytically to obtain a renormalized stress equation. The most dominant contributions to the two-particle correlation function are products of the eigenvectors of the conserved hydrodynamic modes of the two correlated particles. In Part I, it was shown that the long-time tails of the velocity autocorrelation function are not present in a sheared fluid. Using those results, we show that correlations do not cause a divergence in the transport coefficients; the viscosity is not divergent in two dimensions, and the Burnett coefficients are not divergent in three dimensions. The equations for three-particle and higher correlations are analyzed diagrammatically. It is found that the contributions due to the three-particle and higher correlation functions to the renormalized viscosity are smaller than those due to the two-particle distribution function in the limit epsilon -> 0. This implies that the most dominant correlation effects are due to the two-particle correlations.

Electron attachment in binary mixtures of electronegative and buffer gases

The ratio of the electron attachment coefficient eta to the gas pressure p (reduced to 0 degrees C) evaluated from the Townsend current growth curves in binary mixtures of electronegative gases (SF6, CCl2F2, CO2) and buffer gases (N2, Ar, air) clearly indicate that the eta /p ratios do not scale as the partial pressure of electronegative gas in the mixture. Extensive calculations carried out using data experimentally obtained have shown that the attachment coefficient of the mixture eta mix can be expressed as eta mix= eta (1-exp- beta F/(100-F)) where eta is the attachment coefficient of the 100% electronegative gas, F is the percentage of the electronegative gas in the mixture and beta is a constant. The results of this analysis explain to a high degree of accuracy the data obtained in various mixtures and are in very good agreement with the data deduced by Itoh and co-workers (1980) using the Boltzmann equation method.

Multicarrier analysis of magnetotransport data at low and high electric fields

We present some results on multicarrier analysis of magnetotransport data, Both synthetic as well as data from narrow gap Hg0.8Cd0.2Te samples are used to demonstrate applicability of various algorithms vs. nonlinear least square fitting, Quantitative Mobility Spectrum Analysis (QMSA) and Maximum Entropy Mobility Spectrum Analysis (MEMSA). Comments are made from our experience oil these algorithms, and, on the inversion procedure from experimental R/sigma-B to S-mu specifically with least square fitting as an example. Amongst the conclusions drawn are: (i) Experimentally measured resistivity (R-xx, R-xy) should also be used instead of just the inverted conductivity (sigma(xx), sigma(xy)) to fit data to semiclassical expressions for better fits especially at higher B. (ii) High magnetic field is necessary to extract low mobility carrier parameters. (iii) Provided the error in data is not large, better estimates to carrier parameters of remaining carrier species can be obtained at any stage by subtracting highest mobility carrier contribution to sigma from the experimental data and fitting with the remaining carriers. (iv)Even in presence of high electric field, an approximate multicarrier expression can be used to guess the carrier mobilities and their variations before solving the full Boltzmann equation.

A New Threshold Voltage Model for Omega Gate Cylindrical Nanowire Transistor

In this work, for the first time, we present a physically based analytical threshold voltage model for omega gate silicon nanowire transistor. This model is developed for long channel cylindrical body structure. The potential distribution at each and every point of the of the wire is derived with a closed form solution of two dimensional Poisson's equation, which is then used to model the threshold voltage. Proposed model can be treated as a generalized model, which is valid for both surround gate and semi-surround gate cylindrical transistors. The accuracy of proposed model is verified for different device geometry against the results obtained from three dimensional numerical device simulators and close agreement is observed.

Rheology of dense sheared granular flows

Rapid granular flows are defined as flows in which the time scales for the particle interactions are small compared to the inverse of the strain rate, so that the particle interactions can be treated as instantaneous collisions. We first show, using Discrete Element simulations, that even very dense flows of sand or glass beads with volume fraction between 0.5 and 0.6 are rapid granular flows. Since collisions are instantaneous, a kinetic theory approach for the constitutive relations is most appropriate, and we present kinetic theory results for different microscopic models for particle interaction. The significant difference between granular flows and normal fluids is that energy is not conserved in a granular flow. The differences in the hydrodynamic modes caused by the non-conserved nature of energy are discussed. Going beyond the Boltzmann equation, the effect of correlations is studied using the ring kinetic approximation, and it is shown that the divergences in the viscometric coefficients, which are present for elastic fluids, are not present for granular flows because energy is not conserved. The hydrodynamic model is applied to the flow down an inclined plane. Since energy is not a conserved variable, the hydrodynamic fields in the bulk of a granular flow are obtained from the mass and momentum conservation equations alone. Energy becomes a relevant variable only in thin 'boundary layers' at the boundaries of the flow where there is a balance between the rates of conduction and dissipation. We show that such a hydrodynamic model can predict the salient features of a chute flow, including the flow initiation when the angle of inclination is increased above the 'friction angle', the striking lack of observable variation of the volume fraction with height, the observation of a steady flow only for certain restitution coefficients, and the density variations in the boundary layers.

Non-linear couette flow with heat transfer using the B-G-K model

In recent years a large number of investigators have devoted their efforts to the study of flow and heat transfer in rarefied gases, using the BGK [1] model or the Boltzmann kinetic equation. The velocity moment method which is based on an expansion of the distribution function as a series of orthogonal polynomials in velocity space, has been applied to the linearized problem of shear flow and heat transfer by Mott-Smith [2] and Wang Chang and Uhlenbeck [3]. Gross, Jackson and Ziering [4] have improved greatly upon this technique by expressing the distribution function in terms of half-range functions and it is this feature which leads to the rapid convergence of the method. The full-range moments method [4] has been modified by Bhatnagar [5] and then applied to plane Couette flow using the B-G-K model. Bhatnagar and Srivastava [6] have also studied the heat transfer in plane Couette flow using the linearized B-G-K equation. On the other hand, the half-range moments method has been applied by Gross and Ziering [7] to heat transfer between parallel plates using Boltzmann equation for hard sphere molecules and by Ziering [83 to shear and heat flow using Maxwell molecular model. Along different lines, a moment method has been applied by Lees and Liu [9] to heat transfer in Couette flow using Maxwell's transfer equation rather than the Boltzmann equation for distribution function. An iteration method has been developed by Willis [10] to apply it to non-linear heat transfer problems using the B-G-K model, with the zeroth iteration being taken as the solution of the collisionless kinetic equation. Krook [11] has also used the moment method to formulate the equivalent continuum equations and has pointed out that if the effects of molecular collisions are described by the B-G-K model, exact numerical solutions of many rarefied gas-dynamic problems can be obtained. Recently, these numerical solutions have been obtained by Anderson [12] for the non-linear heat transfer in Couette flow,