D. J. Rader

Accuracy and efficiency of the sophisticated direct simulation Monte Carlo algorithm for simulating noncontinuum gas flows

The accuracy of a recently proposed direct simulation Monte Carlo (DSMC) algorithm, termed “sophisticated DSMC,” is investigated by comparing simulation results to analytical solutions of the Boltzmann equation for one-dimensional Fourier–Couette flow. An argon-like hard-sphere gas at 273.15 K and 266.644 Pa is confined between two parallel, fully accommodating walls 1 mm apart that have unequal temperatures and unequal tangential velocities. The simulations are performed using a one-dimensional implementation. In harmony with previous work, the accuracy metrics studied are the ratios of the DSMC-calculated transport properties and Sonine polynomial coefficients to their corresponding infinite-approximation Chapman–Enskog theoretical values. The sophisticated DSMC algorithm is shown to reproduce the theoretical results to high precision. The efficiency of the sophisticated DSMC algorithm relative to the original algorithm is demonstrated for a two-dimensional “real-world” application.

An approach for simulating the transport of spherical particles in a rarefied gas flow via the direct simulation Monte Carlo method

An approach is presented for computing the force on and heat transfer to a spherical particle from a rarefied flow of a monatomic gas that is computed using the direct simulation Monte Carlo (DSMC) method. The particle concentration is taken to be dilute, and the gas flow around the particle (but not necessarily throughout the flow domain) is taken to be free-molecular. Green’s functions for the force and heat transfer are determined analytically, are verified by demonstrating that they yield certain well-known results, and are implemented numerically within a DSMC code. Simulations are performed for the case of gas confined between two parallel plates at different temperatures for broad ranges of pressures and particle velocities. The simulation results agree closely with analytical results, where applicable. A simple approximate expression relating the thermophoretic force to the gas-phase heat flux is developed, and the drag and thermophoretic forces are found to be almost decoupled for a wide range of...

APS Response to Nonspherical Particles and Experimental Determination of Dynamic Shape Factor

A method to determine the dynamic shape factor of an aerosol from cascade impactor and aerodynamic particle sizer (APS) distribution measurements is presented and demonstrated. The response of the TSI, Inc., APS to nonspherical, porous particles is derived after the fashion of Wang and John. This method does not require microscopy or chemical analytical techniques and as such is an improvement over previous methods. *This work was supported by the U. S. Nuclear Regulatory Commission and was performed at Sandia National Laboratories, which is operated for the U.S. Department of Energy under Contract Number DE-AC04-76DP00789.

Direct simulation Monte Carlo convergence behavior of the hard-sphere-gas thermal conductivity for Fourier heat flow

The convergence behavior of the direct simulation Monte Carlo (DSMC) method is systematically investigated for near-continuum, one-dimensional Fourier flow. An argon-like, hard-sphere gas is confined between two parallel, fully accommodating, motionless walls of unequal temperature. The simulations are performed using four variations based on Bird’s DSMC algorithm that differ in the ordering of the move, collide, and sample operations. The primary convergence metric studied is the ratio of the DSMC-calculated bulk thermal conductivity to the infinite-approximation Chapman-Enskog (CE) theoretical value, although temperature and heat flux are also considered. Ensemble, temporal, and spatial averaging are used to reduce statistical errors to levels that are small compared to the discretization errors from the time step (Δt), the cell size (Δx), and the number of computational particles per cell (Nc). The errors from these three parameters are determined using over 700 individual cases selected from the range...

Direct Simulation Monte Carlo: The Quest for Speed.

In the 50 years since its invention, the acceptance and applicability of the DSMC method have increased significantly. Extensive verification and validation efforts have led to its greater acceptance, whereas the increase in computer speed has been the main factor behind its greater applicability. As the performance of a single processor reaches its limit, massively parallel computing is expected to play an even stronger role in its future development.

Normal solutions of the Boltzmann equation for highly nonequilibrium Fourier flow and Couette flow

The state of a single-species monatomic gas from near-equilibrium to highly nonequilibrium conditions is investigated using analytical and numerical methods. Normal solutions of the Boltzmann equation for Fourier flow (uniform heat flux) and Couette flow (uniform shear stress) are found in terms of the heat-flux and shear-stress Knudsen numbers. Analytical solutions are found for inverse-power-law molecules from hard sphere through Maxwell at small Knudsen numbers using Chapman-Enskog (CE) theory and for Maxwell molecules at finite Knudsen numbers using a moment-hierarchy (MH) method. Corresponding numerical solutions are obtained using the direct simulation Monte Carlo (DSMC) method of Bird. The thermal conductivity, the viscosity, and the Sonine-polynomial coefficients of the velocity distribution function from DSMC agree with CE results at small Knudsen numbers and with MH results at finite Knudsen numbers. Subtle differences between inverse-power-law, variable-soft-sphere, and variable-hard-sphere rep...

Thermophoresis in Rarefied Gas Flows

Numerical calculations are presented for the thermophoretic force acting on a free-molecular, motionless, spherical particle suspended in a rarefied gas flow between parallel plates of unequal temperature. The rarefied gas flow is calculated with the direct simulation Monte Carlo (DSMC) method, which provides a time-averaged approximation to the local molecular velocity distribution at discrete locations between the plates. A force Greens function is used to calculate the thermophoretic force directly from the DSMC simulations for the molecular velocity distribution, with the under-lying assumption that the particle does not influence the molecular velocity distribution. Perfect accommodation of energy and momentum is assumed at all solid/gas boundaries. Earlier work for monatomic gases (helium and argon) is reviewed, and new calculations for a diatomic gas (nitrogen) are presented. Gas heat flux and particle thermophoretic forces for argon, helium, and nitrogen are given for a 0.01 m spacing between plates held at 263 and 283 K over a pressure range from 0.1 to 1000 mTorr (0.01333- 133.3 Pa). A simple, approximate expression is introduced that can be used to correlate the thermophoretic force calculations accurately over a wide range of pressures, corresponding to a wide range of Knudsen numbers (ratio of the gas mean free path to the interplate separation).

A Method To Employ the Aerodynamic Particle Sizer Factory Calibration Under Different Operating Conditions

The dimensionless aerodynamic particle sizer (APS) response function (normalized particle velocity against particle Stokes number) first reported by Chen et al. (1985) is explored for much larger solid particles (diameters to 35 μm) over a similar range of instrument pressures (624–l740 mm Hg) and flow rates (4.2–6.0 L/min). An essentially unique response function is found for low and intermediate Stokes numbers under a variety of operating conditions, including the use of argon as the carrier gas. For large particles, however, non-Stokesian drag effects introduce systematic differences among calibration sets so that a unique response function no longer applies. The largest differences are observed between calibrations performed in air and argon, although even in this case the sizing error amounts to < 12% for a 20-μm polystyrene latex sphere. For intermediate Stokes numbers, a direct consequence of this work is that a reference calibration (channel number against Stokes number) can be used under differen...

Calculations of the near-wall thermophoretic force in rarefied gas flow

The thermophoretic force on a near-wall, spherical particle in a rarefied, monatomic gas flow is calculated numerically. The rarefied gas flow is calculated with the Direct Simulation Monte Carlo (DSMC) method, which provides the molecular velocity distribution. The force is calculated from the molecular velocity distribution using a force Green’s function. Calculations are performed over a Knudsen-number range from 0.0475 to 4.75 using Maxwell and hard-sphere collision models. Results are presented for the thermophoresis parameter, ξ, a dimensionless quantity proportional to the thermophoretic force. The spatial profiles of ξ show a clear progression from free-molecular conditions (ξ is constant throughout the domain) to near-continuum conditions (ξ is constant in the interior but increases in the Knudsen layers). For near-continuum conditions, the DSMC calculations and Chapman–Enskog theory are in excellent agreement in the interior, suggesting that their velocity distributions are similar in this regio...

Measurements of thermal accommodation coefficients.

A previously-developed experimental facility has been used to determine gas-surface thermal accommodation coefficients from the pressure dependence of the heat flux between parallel plates of similar material but different surface finish. Heat flux between the plates is inferred from measurements of temperature drop between the plate surface and an adjacent temperature-controlled water bath. Thermal accommodation measurements were determined from the pressure dependence of the heat flux for a fixed plate separation. Measurements of argon and nitrogen in contact with standard machined (lathed) or polished 304 stainless steel plates are indistinguishable within experimental uncertainty. Thus, the accommodation coefficient of 304 stainless steel with nitrogen and argon is estimated to be 0.80 {+-} 0.02 and 0.87 {+-} 0.02, respectively, independent of the surface roughness within the range likely to be encountered in engineering practice. Measurements of the accommodation of helium showed a slight variation with 304 stainless steel surface roughness: 0.36 {+-} 0.02 for a standard machine finish and 0.40 {+-} 0.02 for a polished finish. Planned tests with carbon-nanotube-coated plates will be performed when 304 stainless-steel blanks have been successfully coated.