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NASA NTRS1989

Monte Carlo simulation of an expanding gas

By application of simple computer graphics techniques, the statistical performance of two Monte Carlo methods used in the simulation of rarefied gas flows are assessed. Specifically, two direct simulation Monte Carlo (DSMC) methods developed by Bird and Nanbu are considered. The graphics techniques are found to be of great benefit in the reduction and interpretation of the large volume of data generated, thus enabling important conclusions to be drawn about the simulation results. Hence, it is discovered that the method of Nanbu suffers from increased statistical fluctuations, thereby prohibiting its use in the solution of practical problems.

Boyd, Iain D.↗

NASA NTRS1985

Monte Carlo simulations in support of the Shuttle upper atmospheric mass spectrometer experiment

This paper presents the results of calculations obtained with a Direct Simulation Monte Carlo (DSMC) method that describes both the external flow about the nose region of the Shuttle Orbiter and the internal flow in an inlet tube that provides the initial path between the shock-processed gases and a mass spectrometer mounted inside the Orbiter. A dedicated, three-dimensional version of the DSMC was developed during this study for the internal flow simulation along with the procedure for interfacing the external and internal flows. The calculations span the 140 to 95 km altitude range, which includes most of the hypersonic transitional flow encountered during reentry. All calculations were for a multicomponent gas mixture consisting of five chemical species while simulating the effects of transitional, rotational, vibrational, and chemical nonequilibrium. The results of the calculations show that within the entry region of the inlet tube where the gas has equilibrated with the sidewall tube temperature, the pressure is substantially less than the pressure at the external surface. This pressure correction for the entry region is significant for all conditions investigated and increases with altitude. The results highlight the structure of both the external and internal flow. Results of parametric studies show the sensitivity of the equilibrated inlet sidewall pressure to mass flow rates, gas-surface reflection model, tube side-wall temperature variations, and surface recombinations.

Moss, J. N.↗

NASA NTRS2016

DSMC Shock Simulation of Saturn Entry Probe Conditions

This work describes the direct simulation Monte Carlo (DSMC) investigation of Saturn entry probe scenarios and the influence of non-equilibrium phenomena on Saturn entry conditions. The DSMC simulations coincide with rarefied hypersonic shock tube experiments of a hydrogen-helium mixture performed in the Electric Arc Shock Tube (EAST) at NASA Ames Research Center. The DSMC simulations are post-processed through the NEQAIR line-by-line radiation code to compare directly to the experimental results. Improved collision cross-sections, inelastic collision parameters, and reaction rates are determined for a high temperature DSMC simulation of a 7-species H2-He mixture and an electronic excitation model is implemented in the DSMC code. Simulation results for 27.8 and 27.4 kms shock waves are obtained at 0.2 and 0.1 Torr respectively and compared to measured spectra in the VUV, UV, visible, and IR ranges. These results confirm the persistence of non-equilibrium for several centimeters behind the shock and the diffusion of atomic hydrogen upstream of the shock wave. Although the magnitude of the radiance did not match experiments and an ionization inductance period was not observed in the simulations, the discrepancies indicated where improvements are needed in the DSMC and NEQAIR models.

Modeling↗

NASA NTRS1991

Monte Carlo study of vibrational relaxation processes

A new model is proposed for the computation of vibrational nonequilibrium in the direct simulation Monte Carlo method (DSMC). This model permits level to level vibrational transitions for the first time in a Monte Carlo flowfield simulation. The model follows the Landau-Teller theory for a harmonic oscillator in which the rates of transition are related to an experimental correlation for the vibrational relaxation time. The usual method for simulating such processes in the DSMC technique applies a constant exchange probability to each collision and the vibrational energy is treated as a continuum. A comparison of these two methods is made for the flow of nitrogen over a wedge. Significant differences exist for the vibrational temperatures computed. These arise as a consequence of the incorrect application of a constant exchange probability in the old method. It is found that the numerical performances of the two vibrational relaxation models are equal.

Boyd, Iain D.↗

NASA NTRS2018

Development of a Detailed Surface Chemistry Framework in DSMC

A generalized finite-rate surface chemistry framework incorporating a comprehensive list of reaction mechanisms is developed and implemented into the Direct Simulation Monte Carlo (DSMC) solver SPARTA (Stochastic PArallel Rarefied-gas Time-accurate Analyzer). The various mechanisms include adsorption, desorption, Eley-Rideal (ER), and several types of Langmuir-Hinshelwood (LH) mechanisms. The approach is to stochastically model the various competing reactions occurring on a set of active sites. Both gas-surface (e.g., adsorption, ER) and pure-surface (e.g., desorption) reaction mechanisms are incorporated, and the framework also includes catalytic or surface altering mechanisms involving the participation of the bulk-phase species (e.g., bulk carbon atoms). Marschall and MacLean developed a general formulation in which multiple phases and surface sites are used and a similar convention is adopted in the current work. Expressions for the microscopic parameters of reaction probabilities (for gas-surface reactions) and frequencies (for pure-surface reactions) that are required for DSMC are derived from the surface properties and macroscopic parameters such as rate constants, sticking coefficients, etc. The energy and angular distributions of the products are specified according to the reaction type and input parameters. This framework also presents physically consistent procedures to accurately compute the reaction probabilities and frequencies in the case of multiple reactions. The result is a modeling tool with a wide variety of surface reactions characterized via user-specified reaction rate constants, surface properties and parameters.

Surface Chemistry↗

NASA NTRSDate not supplied

The VATMOS-SR Mission Concept: DSMC Studies of the Gas Sampling

VATMOS-SR (Venus ATMOSpheric - Sample Return) is a small spacecraft mission concept that would return a gas sample from the upper atmosphere of Venus to Earth for scientific analysis. This could be the first sample return mission for an extra-terrestrial atmosphere and potentially the first sample return from an Earth-sized planet. The VATMOS-SR mission concept consists of a SmallSat atmospheric sampling probe (45 deg. sphere/cone geometry, <1 m diameter) that is designed to skim through the Venus upper atmosphere and acquire gas samples below the homopause altitude (around ~110 km altitude), where the different atmospheric gases are mixed. The velocity of the spacecraft where sampling would occur is expected to be between ~10.5 km/s and ~13.1 km/s, depending on the trajectory chosen. This presentation will discuss hypervelocity sampling in the upper atmosphere of Venus with respect to the VATMOS-SR mission concept. VATMOS-SR would enable critical atmospheric measurements to form a complete picture of how, why, and when Venus evolved to be so different from Earth and Mars. The abundances and isotopic compositions of volatile elements (such as N, C, S, O, and the noble gases) in planetary atmospheres record volatile delivery during accretion, outgassing from planetary interiors, and atmospheric loss to space. Precise and accurate determinations of volatile atmospheric signatures are the key to understanding the origins and geodynamical evolution of Venus compared to the other terrestrial planets. Hypersonic sampling poses unique technical and scientific challenges. To ensure it is possible to relate the composition of the sampled gases to the free stream atmospheric composition, large-scale numerical simulations are employed to model the flow through the VATMOS-SR sampling system. In particular, an emphasis is placed on quantifying noble gas isotopic fractionation that occurs during the sample acquisition and transfer process to determine how measured isotopic ratios of noble gases in the sample compared to actual isotopic ratios in the Venusian atmosphere. The Direct Simulation Monte Carlo (DSMC) code SPARTA, an open-source software package developed by Sandia National Laboratories, is used in this work. SPARTA, based on Bird’s DSMC method, is a molecular-level gas-kinetic technique. As SPARTA is able to model hypervelocity reacting flows in strong chemical and thermal non-equilibrium, this software package is well suited to determine relevant flow properties for the VATMOS-SR mission concept and to numerically quantify the expected level of elemental and/or isotopic fractionation in the sample acquired by VATMOS-SR. This presentation will show results from 3D simulations correlating the noble gas isotopic fractionation in the gas acquired at hypervelocity speeds to its ambient atmosphere value. In particular, emphasis will be placed on Xenon isotopes of masses 128 and 130, as precise measurements of that ratio would yield comparison to Earth’s atmosphere. Additionally, sensitivity studies that quantify the uncertainties due to the freestream parameters, as well as the modeling parameters, will be performed.

direct simulation Monte Carlo↗

NASA NTRS2006

Aerothermodynamic Analyses of Towed Ballutes

A ballute (balloon-parachute) is an inflatable, aerodynamic drag device for application to planetary entry vehicles. Two challenging aspects of aerothermal simulation of towed ballutes are considered. The first challenge, simulation of a complete system including inflatable tethers and a trailing toroidal ballute, is addressed using the unstructured-grid, Navier-Stokes solver FUN3D. Auxiliary simulations of a semi-infinite cylinder using the rarefied flow, Direct Simulation Monte Carlo solver, DSV2, provide additional insight into limiting behavior of the aerothermal environment around tethers directly exposed to the free stream. Simulations reveal pressures higher than stagnation and corresponding large heating rates on the tether as it emerges from the spacecraft base flow and passes through the spacecraft bow shock. The footprint of the tether shock on the toroidal ballute is also subject to heating amplification. Design options to accommodate or reduce these environments are discussed. The second challenge addresses time-accurate simulation to detect the onset of unsteady flow interactions as a function of geometry and Reynolds number. Video of unsteady interactions measured in the Langley Aerothermodynamic Laboratory 20-Inch Mach 6 Air Tunnel and CFD simulations using the structured grid, Navier-Stokes solver LAURA are compared for flow over a rigid spacecraft-sting-toroid system. The experimental data provides qualitative information on the amplitude and onset of unsteady motion which is captured in the numerical simulations. The presence of severe unsteady fluid - structure interactions is undesirable and numerical simulation must be able to predict the onset of such motion.

Gnoffo, Peter A.↗

NASA NTRS1990

Efficient Monte Carlo simulation of rarefied flow in a small nozzle

The flow of carbon dioxide through a small conical nozzle is computed using two different numerical approaches. The first of these is the direct simulation Monte Carlo method in which the physical phenomena are modeled at the molecular level. The second technique solves the Navier-Stokes equations of fluid flow. The purpose of the paper is to compare the solutions generated by these two methods for the conditions prevailing in a small, low density nozzle. The comparison between the two sets of solutions reveals only small differences. However, the flow properties in the thick viscous layer close to the nozzle at the exit plane show important deviations which have implications for the subsequent determination of the plume backflow.

Boyd, Iain D.↗

NASA NTRS1996

Rarefaction effects on Galileo probe aerodynamics

Solutions of aerodynamic characteristics are presented for the Galileo Probe entering Jupiter's hydrogen-helium atmosphere at a nominal relative velocity of 47.4 km/s. Focus is on predicting the aerodynamic drag coefficient during the transitional flow regime using the direct simulation Monte Carlo (DSMC) method. Accuracy of the probe's drag coefficient directly impacts the inferred atmospheric properties that are being extracted from the deceleration measurements made by onboard accelerometers as part of the Atmospheric Structure Experiment. The range of rarefaction considered in the present study extends from the free molecular limit to continuum conditions. Comparisons made with previous calculations and experimental measurements show the present results for drag to merge well with Navier-Stokes and experimental results for the least rarefied conditions considered.

Moss, James N.↗

NASA NTRS1991

Monte Carlo analysis of dissociation and recombination behind strong shock waves in nitrogen

Computations are presented for the relaxation zone behind strong, 1D shock waves in nitrogen. The analysis is performed with the direct simulation Monte Carlo method (DSMC). The DSMC code is vectorized for efficient use on a supercomputer. The code simulates translational, rotational and vibrational energy exchange and dissociative and recombinative chemical reactions. A model is proposed for the treatment of three body-recombination collisions in the DSMC technique which usually simulates binary collision events. The model improves previous models because it can be employed with a large range of chemical-rate data, does not introduce into the flow field troublesome pairs of atoms which may recombine upon further collision (pseudoparticles) and is compatible with the vectorized code. The computational results are compared with existing experimental data. It is shown that the derivation of chemical-rate coefficients must account for the degree of vibrational nonequilibrium in the flow. A nonequilibrium-chemistry model is employed together with equilibrium-rate data to compute the flow in several different nitrogen shock waves.

Boyd, I. D.↗

NASA NTRS1990

A collision-selection rule for a particle simulation method suited to vector computers

A theory is developed for a selection rule governing collisions in a particle simulation of rarefied gas-dynamic flows. The selection rule leads to an algorithmic form highly compatible with fine grain parallel decomposition, allowing for efficient utilization of supercomputers having vector or massively parallel single instruction multiple data architectures. A comparison of shock-wave profiles obtained using both the selection rule and Bird's direct simulation Monte Carlo (DSMC) method show excellent agreement. The equation on which the selection rule is based is shown to be directly related to the time-counter procedure in the DSMC method. The results of several example simulations of representative rarefied flows are presented, for which the number of particles used ranged from 10 to the 6th to 10 to the 7th demonstrating the greatly improved computational efficiency of the method.

Baganoff, D.↗

NASA NTRS1989

Direct simulation of rarefied hypersonic flows

As the capability of the space transportation vehicles (STV's) expand to meet the requirements for future space exploration and utilization, the effects of rarefied hypersonic flows will play a more significant role in defining the aerodynamic and aerothermodynamic performance of STV's. This is particularly true of the low lift/drag aeroassisted STV's where aerobraking occurs at relatively high altitudes and high velocity. Because of the limitations of the continuum description as expressed by the Navier-Stokes equations and the difficulties of solving the Boltzmann equation, the particle of molecular approach has been developed over the last three decades for modeling rarefied gas effects. The direct simulation Monte Carlo (DSMC) method of Bird is the most used method today for simulating rarefied flows. The DSMC method provides a direct physical simulation as opposed to a numerical solution of a set of model equations. This is accomplished by developing phenomenological models of the relevant physical events. The DSMC method accounts for translational, thermal, chemical, and radiative nonequilibrium effects. The general features of the DSMC method, the numerical requirements for obtaining meaningful results, the modeling used to simulate high temperature gas effects, and applications of the method to calculate the flow about an aeroassist flight experiment vehicle (AFE) are reviewed. The AFE simulates a geosynchronous return while entering the Earth's upper atmosphere at approximately 10 km/s. Results obtained using a general 3-D code are presented for the more rarefied portion of the atmospheric encounter (altitudes of 200 to 100 km) emphasizing surface, flowfield, and aerodynamic characteristics of the AFE. Finally, results obtained using axisymmetric and 1-D versions of the code are presented for lower altitude conditions.

Moss, James N.↗

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 NTRSDate not supplied

Adaptive Stress Testing of Trajectory Predictions in Flight Management Systems

To find failure events and their likelihoods in flight-critical systems, we investigate the use of an advanced black-box stress testing approach called adaptive stress testing. We analyze a trajectory predictor from a developmental commercial flight management system which takes as input a collection of lateral waypoints and en-route environmental conditions. Our aim is to search for failure events relating to inconsistencies in the predicted lateral trajectories. The intention of this work is to find likely failures and report them back to the developers so they can address and potentially resolve shortcomings of the system before deployment. To improve search performance, this work extends the adaptive stress testing formulation to be applied more generally to sequential decision-making problems with episodic reward by collecting the state transitions during the search and evaluating at the end of the simulated rollout. We use a modified Monte Carlo tree search algorithm with progressive widening as our adversarial reinforcement learner. The performance is compared to direct Monte Carlo simulations and to the cross-entropy method as an alternative importance sampling baseline. The goal is to find potential problems otherwise not found by traditional requirements-based testing. Results indicate that our adaptive stress testing approach finds more failures and finds failures with higher likelihood relative to the baseline approaches.

adaptive stress testing↗

NASA NTRS1993

A generalized hard-sphere model for Monte Carlo simulation

A new molecular model, called the generalized hard-sphere, or GHS model, is introduced. This model contains, as a special case, the variable hard-sphere model of Bird (1981) and is capable of reproducing all of the analytic viscosity coefficients available in the literature that are derived for a variety of interaction potentials incorporating attraction and repulsion. In addition, a new procedure for determining interaction potentials in a gas mixture is outlined. Expressions needed for implementing the new model in the direct simulation Monte Carlo methods are derived. This development makes it possible to employ interaction models that have the same level of complexity as used in Navier-Stokes calculations.

Hassan, H. A.↗

NASA NTRS1992

Two-dimensional hybrid continuum/particle approach for rarefied flows

A hybrid numerical technique previously developed for one-dimensional rarefied gas flows is generalized to two dimensions. The method is based on the fact that the flowfield that develops near a body in a rarefied gas typically contains local regions of continuum, transitional and free-molecular flow. By utilizing the solution technique most appropriate for each region and coupling the techniques in an interface region where both are applicable, more computationally efficient solutions can be obtained, or equivalently, more complex flowfields can be analyzed. The present method combines finite difference solution of the Navier-Stokes equations in the continuum regions, with Direct Simulation Monte Carlo in the more rarefied regions. The two schemes are coupled interactively via a general conservative flux boundary condition. The method is tested by application to the model problem of pressure-driven rarefied flow through a slit. Results show the hybrid scheme offers a speedup of a factor of nearly two for the nominal conditions considered, due to the decrease in the size of the Direct Simulation domain.

Wadsworth, Dean C.↗

NASA NTRSDate not supplied

Boundary-Layer Flow Simulations Over Ablating Woven Thermal Protection System Material

Spallation is the mechanical removal of small chunks of material gets removed typically due to high shear conditions of the flow field. This reduces the ability of the thermal protection system (TPS) material to protect the spacecraft as well as cause turbulence in the flow causing higher heating rates. In this work, we focus on the material removal through ablation and high shear flow within the boundary layer region of woven TPS material. Woven TPS (WTPS) material is the latest class of material developed by NASA, to be used within the next generation of space flights. They are complex interlocked weaves designed to create a rigid structure that is highly resistant to heat and can be easily designed and tailored for a wide variety of entry environments. Due to material removal resulting from chemical degradation, the structural integrity of TPS material is affected. Spallation occurs when this structurally compromised material is exposed to the high shear flow conditions within the boundary layer. In order to understand the spallation mechanism within WTPS material, we first perform the material removal simulations which occur primarily through oxidation to obtain the microstructure at various stages of degradation. These simulations are performed using the Porous Microstructure Analysis (PuMA) software developed at NASA Ames. The micro-structure geometry used within these simulations were generated artificially to be similar to the 3D weave architecture of MSR-EEV (Mars Sample Return - Earth Entry Vehicle). The various eroded TPS micro-structures are then subjected to the boundary layer flow conditions to obtain critical surface quantities which contribute to the structural failure mechanism such as heat flux, pressure, and shear stress. The direct simulation Monte Carlo (DSMC) methodology is used to perform these simulations in order to accurately capture the strong gradients within the high-temperature boundary layer flow over the intricate geometry of WTPS material. The boundary layer profile is directly taken from the Computational Fluid Dynamics (CFD) simulation and provided as boundary conditions to the DSMC inlet and outlet. Further, the variation of these properties as the microstructure undergoes changes due to oxidation is also investigated. Finally, these quantities are used as input in PuMA to understand the material expansion/compression and strain within the woven TPS geometry and help in developing a comprehensive spallation and structure failure model.

microstructure↗

NASA NTRSDate not supplied

Boundary-Layer Flow Simulations Over Ablating Woven Thermal Protection System Material

microstructure↗