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Results for “direct simulation Monte Carlo methods”

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NASA NTRS1989

Rotational and vibrational nonequilibrium effects in rarefied, hypersonic flow

Results are reported for an investigation into the methods by which energy transfer is calculated in the Direct Simulation Monte Carlo method. Description is made of a recently developed energy exchange model that deals with the translational and rotational modes. A new model for simulating the transfer of energy between the translational and vibrational modes is also explained. This model allows the vibrational relaxation time to follow the temperature dependence predicted by the Landau-Teller theory at moderate temperatures. For temperatures in excess of about 8000K the vibrational model is extended to include an empirical result for the relaxation time. The effect of introducing these temperature dependent collision numbers into the DSMC technique is assessed by making calculations representative of the stagnation streamline of a hypersonic space vehicle. Both thermal and chemical nonequilibrium effects are included while the flow conditions have been chosen such that ionization and radiation may be neglected. The introduction of these new models is found to significantly affect the degree of thermal nonequilibrium observed in the flowfield. Larger, and more widely ranging, differences in the results obtained with the different energy exchange probabilities are found when a significant amount of internal energy is included in the calculation of chemical nonequilibrium.

Boyd, Iain D.↗

NASA NTRS1989

Perception of numerical methods in rarefied gasdynamics

The relationships between various numerical methods applied to problems in rarefied gasdynamics are discussed, with emphasis on conflicting viewpoints and computational requirements associated with physical simulation versus the numerical solution of the Boltzmann equation. The basic differences between the molecular dynamics and direct simulation methods are shown to affect their applicability to dense and rarefied flows. Methods for the probabilistic selection of representative collision in the direct simulation Monte Carlo method are reviewed. A method combining the most desirable features of the earlier methods is presented.

Bird, G. A.↗

NASA NTRS1993

Computation of axisymmetric and ionized flows using particle and continuum methods

Comparisons between particle and continuum simulations of hypersonic near-continuum flows are presented. The particle approach employs the direct simulation Monte Carlo method (DSMC), and the continuum approach solves the Euler equations. Both simulations have thermochemistry models for air implemented including ionization. A new axisymmetric DSMC code which is efficiently vectorized is developed for this study. In this DSMC code, particular attention is paid to matching the relaxation rates employed in the continuum approach. This investigation represents a continuation of a previous study which considered thermochemical relaxation in one-dimensional shock waves of nitrogen. Comparison of the particle and continuum methods is first made for an axisymmetric blunt-body flow of air at 7 km/s. Very good agreement is obtained for the two solutions. The two techniques also compare well for a one-dimensional shock wave in air at 10 km/s. In both applications, the results are found to be sensitive to various aspects of the chemistry models employed.

Boyd, Iain D.↗

NASA NTRS1990

Bipropellant engine plume analyses for the Mars Observer scientific spacecraft

This paper discusses the methodology utilized to characterize exhaust plume expansion of the 490 N bipropellant engine and provides an analysis of exhaust plune impingement effects on the Mars Observer oxidizer tank structure. Nozzle and plume continuum flowfields are computed with a method of characteristics solution while transitional and rarefied regions of the exhaust gas flow were defined by a direct simulation Monte Carlo method. Results of this study provide sufficient data for an assessment of spacecraft thermal impacts due to plume heating effects and thrust losses from exhaust plume impingement.

Rattenni, L., Jr.↗

NASA NTRS1987

Nonequilibrium radiation during re-entry at 10 km/s

The direct simulation Monte Carlo method, including a real air model with thermal radiation, is applied to the flows associated with the two sets of measurements that are directly relevant to the projected aeroassisted orbital transfer vehicle. The first is a shock tube measurement of the radiation from a 10 km/s shock wave in air that was made at AVCO in 1962. The second is the flight data that was obtained from the Project Fire re-entry test vehicles in 1964. The calculations for both cases were made with a program that models the one-dimensional flow along a stagnation streamline. The shock standoff distance for the Fire vehicle was obtained from the theoretical studies that were associated with its launch. The simulation employed a partly phenomenological model for the nonequilibrium radiation. It was found that the results from the calculation were consistent with the measured radiation in each case, and also with the convective heat transfer data for the Fire vehicle. The uncertainties associated with the spectral absorptance and recombination probability at the surface appear to be as serious as those associated with the reaction rates.

Bird, G. A.↗

NASA NTRS1989

Comparison of Burnett, super-Burnett and Monte Carlo solutions for hypersonic shock structure

The continuum Navier-Stokes, Burnett, and super-Burnett equations are solved for one-dimensional shock structures in various monoatomic gases. Solutions for a hard sphere gas, argon, and a Maxwellian gas from Mach 1.3 to Mach 50 are obtained. A numerical method utilizing the complete time-dependent continuum equations and obtaining the steady-state shock structure by allowing the system to relax from arbitrary initial conditions is employed. Shock density, velocity, temperature, and entropy profiles are also obtained using the direct simulation Monte Carlo method, and these results are used as bases for comparison for continuum solution profiles. It is shown that the Burnett equations yield shock structure solutions in much closer agreement to both Monte Carlo and experimental results than do the Navier-Stokes equations. Solutions to the super-Burnett equations with coefficients as presently derived, however, are considered to be inferior to those of the Burnett equations.

Fiscko, Kurt A.↗

NASA NTRS1997

Role of Boundary Conditions in Monte Carlo Simulation of MEMS Devices

A study is made of the issues surrounding prediction of microchannel flows using the direct simulation Monte Carlo method. This investigation includes the introduction and use of new inflow and outflow boundary conditions suitable for subsonic flows. A series of test simulations for a moderate-size microchannel indicates that a high degree of grid under-resolution in the streamwise direction may be tolerated without loss of accuracy. In addition, the results demonstrate the importance of physically correct boundary conditions, as well as possibilities for reducing the time associated with the transient phase of a simulation. These results imply that simulations of longer ducts may be more feasible than previously envisioned.

Nance, Robert P.↗

NASA NTRS1998

High-Density Plasma Reactors: Simulations for Design

The development of improved and more efficient plasma reactors is a costly process for the semiconductor industry. Until five years ago, the Industry made most of its advancements through a trial and error approach. More recently, the role of computational modeling in the design process has increased. Both conventional computational fluid dynamics (CFD) techniques like Navier-Stokes solvers as well as particle simulation methods are used to model plasma reactor flowfields. However, since high-density plasma reactors generally operate at low gas pressures on the order of 1 to 10 mTorr, a particle simulation may be necessary because of the failure of CFD techniques to model rarefaction effects. The direct simulation Monte Carlo method is the most widely accepted and employed particle simulation tool and has previously been used to investigate plasma reactor flowfields. A plasma DSMC code is currently under development at NASA Ames Research Center with its foundation as the object-oriented parallel Cornell DSMC code, MONACO. The present investigation is a follow up of a neutral flow investigation of the effects of process parameters as well as reactor design on etch rate and etch rate uniformity. The previous work concentrated on silicon etch of a chlorine flow in a configuration typical of electron cyclotron resonance (ECR) or helical resonator type reactors. The effects of the plasma on the dissociation chemistry were modeled by making assumptions about the electron temperature and number density. The electrons or ions themselves were not simulated.The present work extends these results by simulating the charged species.The electromagnetic fields are calculated such that power deposition is modeled self-consistently. Electron impact reactions are modeled along with mechanisms for charge exchange. An bipolar diffusion assumption is made whereby electrons remain tied to the ions. However, the velocities of tile electrons are allowed to be modified during collisions and are not confined to a Maxwellian distribution. The interaction between the neutral flow and plasma is examined, and results for etch rate uniformity from the previous research and the present plasma simulations are compared.

Hash, David B.↗

NASA NTRS1989

Monte Carlo simulation of reentry plasmas

Attention is given to the treatment of ionization and plasma effects in the direct simulation Monte Carlo method. The requirements for accurate modeling of reentry plasmas are discussed along with the difficulties these requirements present. The current method for modeling such plasmas is reviewed and an alternative method is presented. Both methods are applied to the flow of a 10 km/s shock wave in air at 0.1 torr; a flowfield directly relevant to the projected aeroassisted orbital transfer vehicle. The results are compared and the differences between the methods are discussed.

Carlson, Ann B.↗

NASA NTRS1988

Hypersonic shock structure with Burnett terms in the viscous stress and heat flux

The continuum Navier-Stokes and Burnett equations are solved for one-dimensional shock structure in various monatomic gases. A new numerical method is employed which utilizes the complete time-dependent continuum equations and obtains the steady-state shock structure by allowing the system to relax from arbitrary initial conditions. Included is discussion of numerical difficulties encountered when solving the Burnett equations. Continuum solutions are compared to those obtained utilizing the Direct Simulation Monte Carlo method. Shock solutions are obtained for a hard sphere gas and for argon from Mach 1.3 to Mach 50. Solutions for a Maxwellian gas are obtained from Mach 1.3 to Mach 3.8. It is shown that the Burnett equations yield shock structure solutions in much closer agreement to both Monte Carlo and experimental results than do the Navier-Stokes equations. Shock density thickness, density asymmetry, and density-temperature separation are all more accurately predicted by the Burnett equations than by the Navier-Stokes equations.

Chapman, Dean R.↗

NASA NTRS1986

The diffusion of individual molecules within a gas

The Direct Simulation Monte Carlo method is used to study the positional history of the individual molecules in a gas that is homogeneous at the macroscopic level and is in Maxwellian equilibrium at the microscopic level. The behavior at small times is characterized by 'persistence of velocity' effects, and a 'random walk' type of dispersal occurs over a longer timescale. It is shown that the rate of dispersal can be directly related to the self-diffusion coefficient. In addition, the diffusion coefficients are obtained directly from one-dimensional calculations, and the local Knudsen number at which the Chapman-Enskog theory breaks down is determined. Results are presented for both simple gases and gas mixtures.

Bird, G. A.↗

NASA NTRS1993

Molecular gas dynamics applied to low-thrust propulsion

The Direct Simulation Monte Carlo method is currently being applied to study flowfields of small thrusters, including both the internal nozzle and the external plume flow. The DSMC method is employed because of its inherent ability to capture nonequilibrium effects and proper boundary physics in low-density flow that are not readily obtained by continuum methods. Accurate prediction of both the internal and external nozzle flow is important in determining plume expansion which, in turn, bears directly on impingement and contamination effects.

Zelesnik, Donna↗

NASA NTRS1988

Direct simulation of three-dimensional hypersonic flow about intersecting blunt wedges

The general three-dimensional direct simulation Monte Carlo method is used to study the hypersonic flow around two blunt wedges that intersect at a 90 deg angle. Results are obtained for the transitional flow regimes found at 85 and 100 km altitude with a reentry velocity of 7.5 km/s. The disturbance field in front of the double-wedge body is found to be larger than that produced by a single wedge. Surface pressures and flow densities are higher near the wedge intersection, whereas surface heating and shear streses are greater at locations removed from the corner. Results also show that three-dimensional flow structure occurs only near the wedge corner, and that the flow monotonically approaches the limiting two-dimensional wedge flow case in the spanwise direction.

Celenligil, M. Cevdet↗

NASA NTRS1973

Experimental study of shock-wave reflection from a thermally accommodating wall.

Shock-tube experiments have been conducted to study the nonequilibrium gas-surface interaction which occurs when a thick shock wave in argon reflects from a coplanar, heat-conducting wall. Fast-response instrumentation was used to monitor variations in temperature and normal stress on the surface of the shock-tube end wall during and immediately following reflection of the incident shock wave. The laboratory observations are compared with computer predictions obtained by Deiwert using the direct-simulation Monte Carlo method, and excellent agreement is obtained when a suitable average thermal accommodation coefficient is chosen for the wall surface.

Hanson, R. K.↗

NASA NTRS1974

Reflection of a thick planar shock wave from a coplanar surface

The reflection of a thick shock wave from an adsorbing surface has been studied for argon and neon test gases using the direct simulation Monte Carlo method and laboratory shock-tube experiments. In the simulation, collisions between gas atoms were calculated with a point-center repulsive intermolecular potential, and collisions between gas atoms and the surface were described by a simple two-parameter model which includes the effects of adsorption and thermal accommodation. Experimental data included normal stress and temperature time histories on the surface of a shock-tube and wall. These data and published data of density variations near the end wall were compared with simulation results to assess the influence of adsorption and accommodation on the flowfield and the surface and also to infer optimum values for the surface-interaction model parameters. Good quantitative agreement between simulation and laboratory data was found with this simple surface-interaction model.

Deiwert, G. S.↗

NASA NTRS1975

Analysis of a semiclassical model for rotational transition probabilities

A semiclassical model proposed by Pearson and Hansen (1974) for computing collision-induced transition probabilities in diatomic molecules is tested by the direct-simulation Monte Carlo method. Specifically, this model is described by point centers of repulsion for collision dynamics, and the resulting classical trajectories are used in conjunction with the Schroedinger equation for a rigid-rotator harmonic oscillator to compute the rotational energy transition probabilities necessary to evaluate the rotation-translation exchange phenomena. It is assumed that a single, average energy spacing exists between the initial state and possible final states for a given collision.

Deiwert, G. S.↗

NASA NTRS1976

Monte Carlo calculations of diatomic molecule gas flows including rotational mode excitation

The direct simulation Monte Carlo method was used to solve the Boltzmann equation for flows of an internally excited nonequilibrium gas, namely, of rotationally excited homonuclear diatomic nitrogen. The semi-classical transition probability model of Itikawa was investigated for its ability to simulate flow fields far from equilibrium. The behavior of diatomic nitrogen was examined for several different nonequilibrium initial states that are subjected to uniform mean flow without boundary interactions. A sample of 1000 model molecules was observed as the gas relaxed to a steady state starting from three specified initial states. The initial states considered are: (1) complete equilibrium, (2) nonequilibrium, equipartition (all rotational energy states are assigned the mean energy level obtained at equilibrium with a Boltzmann distribution at the translational temperature), and (3) nonequipartition (the mean rotational energy is different from the equilibrium mean value with respect to the translational energy states). In all cases investigated the present model satisfactorily simulated the principal features of the relaxation effects in nonequilibrium flow of diatomic molecules.

Yoshikawa, K. K.↗

NASA NTRS1978

One-dimensional outgassing problem

A predominantly numerical study, using the direct-simulation Monte Carlo method, of the flow from outgassing surfaces with plane, cylindrical, or spherical geometry is presented. The numerical results for the plane flow case are compared with existing theoretical and experimental results and also with a new formulation of the jump conditions across the Knudsen layer between the surface and the continuum outflow. This outflow is sonic for the free expansion case but subsonic in the presence of back-pressure effects. The self-scattered return flux is 19% of the outgassed flux in the sonic outflow case and increases at lower Mach numbers. Thermal accomodation and reflection of this return flux produces an outgassing cooling effect. The cylindrical and spherical geometries introduce an additional Knudsen number defined by the ratio of the mean free path in the effusing gas to the radius. The plane flow results apply when this Knudsen number is less than 0.001 and, when it is of order unity or above, the return flux is inversely proportional to it.

Tran Cong, T.↗