Publications

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The effect of collision-partner selection schemes on the accuracy and the efficiency of the Direct Simulation Monte Carlo (DSMC) method of Bird is investigated. Several schemes to reduce the total discretization error as a function of the mean collision separation and the mean collision time are examined. These include the historically first sub-cell scheme, the more recent nearest-neighbor scheme, and various near-neighbor schemes, which are evaluated for their effect on the thermal conductivity for Fourier flow. Their convergence characteristics as a function of spatial and temporal discretization and the number of simulators per cell are compared to the convergence characteristics of the sophisticated and standard DSMC algorithms. Improved performance is obtained if the population from which possible collision partners are selected is an appropriate fraction of the population of the cell.

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A bubble in an acoustic field experiences a net 'Bjerknes' force from the nonlinear coupling of its radial oscillations with the oscillating buoyancy force. It is typically assumed that the bubble's net terminal velocity can be found by considering a spherical bubble with the imposed 'Bjerknes stresses'. We have analyzed the motion of such a bubble using a rigorous perturbation approach and found that one must include a term involving an effective mass flux through the bubble that arises from the time average of the second-order nonlinear terms in the kinematic boundary condition. The importance of this term is governed by the dimensionless parameter {alpha} = R{sup 2} {phi}/R{sup 2} {phi} {nu}.-{nu}, where R is the bubble radius, {phi} is the driving frequency, and {nu} is the liquid kinematic viscosity. If {alpha} is large, this term is unimportant, but if {alpha} is small, this term is the dominant factor in determining the terminal velocity.

We will present experimental and computational investigations of the thermal performance of microelectromechanical systems (MEMS) as a function of the surrounding gas pressure. Lowering the pressure in MEMS packages reduces gas damping, providing increased sensitivity for certain MEMS sensors; however, such packaging also dramatically affects their thermal performance since energy transfer to the environment is substantially reduced. High-spatial-resolution Raman thermometry was used to measure the temperature profiles on electrically heated, polycrystalline silicon bridges that are nominally 10 microns wide, 2.25 microns thick, 12 microns above the substrate, and either 200 or 400 microns long in nitrogen atmospheres with pressures ranging from 0.05 to 625 Torr. Finite element modeling of the thermal behavior of the MEMS bridges is performed and compared to the experimental results. Noncontinuum gas effects are incorporated into the continuum finite element model by imposing temperature discontinuities at gas-solid interfaces that are determined from noncontinuum simulations. The experimental and simulation results indicate that at pressures below 0.5 Torr the gas-phase heat transfer is negligible compared to heat conduction through the thermal actuator legs. As the pressure increases above 0.5 Torr, the gas-phase heat transfer becomes more significant. At ambient pressures, gas-phase heat transfer drastically impacts the thermal performance. The measured and simulated temperature profiles are in qualitative agreement in the present study. Quantitative agreement between experimental and simulated temperature profiles requires accurate knowledge of temperature-dependent thermophysical properties, the device geometry, and the thermal accommodation coefficient.

Thermal accommodation coefficients have been derived for a variety of gas-surface combinations using an experimental apparatus developed to measure the pressure dependence of the conductive heat flux between parallel plates at unequal temperature separated by a gas-filled gap. The heat flux is inferred from temperature-difference measurements across the plates in a configuration where the plate temperatures are set with two carefully controlled thermal baths. Temperature-controlled shrouds provide for environmental isolation of the opposing test plates. Since the measured temperature differences in these experiments are very small (typically 0.3 C or less over the entire pressure range), high-precision thermistors are used to acquire the requisite temperature data. High-precision components have also been utilized on the other control and measurement subsystems in this apparatus, including system pressure, gas flow rate, plate alignment, and plate positions. The apparatus also includes the capability for in situ plasma cleaning of the installed test plates. Measured heat-flux results are used in a formula based on Direct Simulation Monte Carlo (DSMC) code calculations to determine the thermal accommodation coefficients. Thermal accommodation coefficients have been determined for three different gases (argon, nitrogen, helium) in contact with various surfaces. Materials include metals and alloys such as aluminum, gold, platinum, and 304 stainless steel. A number of materials important to fabrication of Micro Electro Mechanical Systems (MEMS) devices have also been examined. For most surfaces, coefficient values are near 0.95, 0.85, and 0.45 for argon, nitrogen, and helium, respectively. Only slight differences in accommodation as a function of surface roughness have been seen. Surface contamination appears to have a more significant effect: argon plasma treatment has been observed to reduce thermal accommodation by as much as 0.10 for helium. Mixtures of argon and helium have also been examined, and the results have been compared to DSMC simulations incorporating thermal-accommodation values from single-species experiments.

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The effect of collision-partner selection schemes on the accuracy and the efficiency of the Direct Simulation Monte Carlo (DSMC) method of Bird is investigated. Several schemes to reduce the total discretization error as a function of the mean collision separation and the mean collision time are examined. These include the historically first sub-cell scheme, the more recent nearest-neighbor scheme, and various near-neighbor schemes, which are evaluated for their effect on the thermal conductivity for Fourier flow. Their convergence characteristics as a function of spatial and temporal discretization and the number of simulators per cell are compared to the convergence characteristics of the sophisticated and standard DSMC algorithms. Improved performance is obtained if the population from which possible collision partners are selected is an appropriate fraction of the population of the cell.

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A recently proposed approach for the Direct Simulation Monte Carlo (DSMC) method to calculate chemical-reaction rates is assessed for high-temperature atmospheric species. The new DSMC model reproduces measured equilibrium reaction rates without using any macroscopic reaction-rate information. Since it uses only molecular properties, the new model is inherently able to predict reaction rates for arbitrary non-equilibrium conditions. DSMC non-equilibrium reaction rates are compared to Park's phenomenological nonequilibrium reaction-rate model, the predominant model for hypersonic-flow-field calculations. For near-equilibrium conditions, Park's model is in good agreement with the DSMC-calculated reaction rates. For far-from-equilibrium conditions, corresponding to a typical shock layer, significant differences can be found. The DSMC predictions are also found to be in very good agreement with measured and calculated non-equilibrium reaction rates, offering strong evidence that this is a viable and reliable technique to predict chemical reaction rates.

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