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NASA NTRS2007

Plume Impingement to the Lunar Surface: A Challenging Problem for DSMC

The President's Vision for Space Exploration calls for the return of human exploration of the Moon. The plans are ambitious and call for the creation of a lunar outpost. Lunar Landers will therefore be required to land near predeployed hardware, and the dust storm created by the Lunar Lander's plume impingement to the lunar surface presents a hazard. Knowledge of the number density, size distribution, and velocity of the grains in the dust cloud entrained into the flow is needing to develop mitigation strategies. An initial step to acquire such knowledge is simulating the associated plume impingement flow field. The following paper presents results from a loosely coupled continuum flow solver/Direct Simulation Monte Carlo (DSMC) technique for simulating the plume impingement of the Apollo Lunar module on the lunar surface. These cases were chosen for initial study to allow for comparison with available Apollo video. The relatively high engine thrust and the desire to simulate interesting cases near touchdown result in flow that is nearly entirely continuum. The DSMC region of the flow field was simulated using NASA's DSMC Analysis Code (DAC) and must begin upstream of the impingement shock for the loosely coupled technique to succeed. It was therefore impossible to achieve mean free path resolution with a reasonable number of molecules (say 100 million) as is shown. In order to mitigate accuracy and performance issues when using such large cells, advanced techniques such as collision limiting and nearest neighbor collisions were employed. The final paper will assess the benefits and shortcomings of such techniques. In addition, the effects of plume orientation, plume altitude, and lunar topography, such as craters, on the flow field, the surface pressure distribution, and the surface shear stress distribution are presented.

Lumpkin, Forrest↗

NASA NTRS2017

Investigation of the High-Energy Oxidation of FiberForm from DSMC Analysis of Molecular Beam Experiments

A collaborative effort between the University of Illinois at Urbana-Champaign (UIUC), NASA Ames Research Center (ARC) and Montana State University (MSU) succeeded at developing a new finite-rate carbon oxidation model from molecular beam scattering experiments on vitreous carbon (VC). We now aim to use the direct simulation Monte Carlo (DSMC) code SPARTA to apply the model to each fiber of the porous fibrous Thermal Protection Systems (TPS) material FiberForm (FF). The detailed micro-structure of FF was obtained from X-ray micro-tomography and then used in DSMC. Both experiments and simulations show that the CO/O products ratio increased at all temperatures from VC to FF. We postulate this is due to the larger number of collisions an O atom encounters inside the porous FF material compared to the flat surface of VC. For the simulations, we particularly focused on the lowest and highest temperatures studied experimentally, 1023 K and 1823 K, and found good agreement between the finite-rate DSMC simulations and experiments.

Oxidation↗

NASA NTRS2016

A DSMC Surface Chemistry Model for Carbon-Based Ablators

A detailed molecular surface chemistry model for the DSMC (Direct Simulation Monte Carlo) method is proposed and implemented into the SPARTA (Stochastic PArallel Rarefied-gas Time-accurate Analyzer) DSMC solver. Molchanova et al. constructed a molecular model for surface recombination in DSMC that includes different surface processes (adsorption, desoprtion, Eley-Rideal and Langmuir-Hinshelwood). All surface processes can be divided into two groups: surface mechanisms, which involve only the particle adsorbed by the surface (desorption and Langmuir-Hinshelwood), and impact mechanisms, which also involve gas-phase particles (adsorption, Eley-Rideal). Using a similar approach, the 14-reaction kinetic model of oxygen-carbon interaction suggested by Zhlukhtov and Abe, as well as more recent models by Alba et al., Poovathinghal et al., and a new model developed in the scope of this work, are implemented in SPARTA. The computational results for the different oxidation models are compared with experimental results from Murray et al. (oxidation of a vitreous carbon surface due to a hyperthermal beam of O and O2), with a particular focus on fluxes, angular and Time-Of-Flight distributions of scattered particles.

oxidation↗

DOE OSTI2021

Adjoint DSMC for nonlinear Boltzmann equation constrained optimization

Applications for kinetic equations such as optimal design and inverse problems often involve finding unknown parameters through gradient-based optimization algorithms. Based on the adjoint-state method, we derive two different frameworks for approximating the gradient of an objective functional constrained by the nonlinear Boltzmann equation. While the forward problem can be solved by the DSMC method, it is difficult to efficiently solve the high-dimensional continuous adjoint equation obtained by the “optimize-then-discretize” approach. This challenge motivates us to propose an adjoint DSMC method following the “discretize-then-optimize” approach for Boltzmann-constrained optimization. We also analyze the properties of the two frameworks and their connections. Here, several numerical examples are presented to demonstrate their accuracy and efficiency.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Adjoint DSMC for nonlinear spatially-homogeneous Boltzmann equation with a general collision model

We derive an adjoint method for the Direct Simulation Monte Carlo (DSMC) method for the spatially homogeneous Boltzmann equation with a general collision law. This generalizes our previous results in Caflisch et al., which was restricted to the case of Maxwell molecules, for which the collision rate is constant. The main difficulty in generalizing the previous results is that a rejection sampling step is required in the DSMC algorithm in order to handle the variable collision rate. We find a new term corresponding to the so-called score function in the adjoint equation and a new adjoint Jacobian matrix capturing the dependence of the collision parameter on the velocities. The new formula works for a much more general class of collision models.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

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

Implementation of active sites to capture pitting of oxidizing carbon materials in DSMC.

In this work we demonstrate a newly developed capability to capture pitting of carbon fibers in DSMC simulations, specifically using the Stochastic PArallel Rarefied-gas Time-accurate Analyzer (SPARTA) code [1]. State-of-the-art reactive surface models in DSMC compute collision dependent carbon consumption rates (usually through desorption of CO) based on a set of surface reactions that has been derived from molecular beam experiments [2]. The reactivity on each carbon surface element is constant in those models, such that the carbon surface recedes uniformly as a result of ablation. However, it is well known that in reality the carbon surface has locally different reaction rates due to the presence of defects at the atomic scale [3]. These defective sites have a much higher reactivity than the average sites (2-3 orders of magnitude) and are first to react during ablation leading to its removal. This causes all the neighboring atoms to be defective and increase their reactivity, thus leading to the localized carbon removal around these ”active” sites (as shown in Fig. 1). In this manner, these highly reactive defective sites serve as nucleation sites for the formation and growth of etch pits with potentially detrimental effects on the structural integrity. Recently a detailed surface chemistry framework was developed in SPARTA, capable of incorporating various reaction mechanisms such as adsorption, desorption, Eley-Rideal (ER) and Langmuir-Hinshelwood (LH) mechanisms [4]. Within this framework, we have implemented the capability of a single surface having multiple site sets with different reactivities. Using this feature, we can simulate the presence of active sites on carbon surfaces, whose reactivity is much greater than an average site as a result of defects. We have implemented the active site fraction as a property of surface elements within SPARTA, which is directly proportional to the local reactivity of each surface element. By introducing an initial distribution of the active site fraction across the carbon surface, and propagating it in a manner that mimics the evolution of real reacting carbon surfaces, we are able to capture the formation and growth of etch pits as a result of surface consumption reactions such as oxidation.

DSMC↗

NASA NTRSDate not supplied

Implementation of Active Sites in DSMC to Capture Pitting of Oxidizing Carbon Materials

In this work we demonstrate a newly developed capability to capture pitting of carbon fibers in DSMC simulations, specifically using the Stochastic PArallel Rarefied-gas Time-accurate Analyzer (SPARTA) code. State-of-the-art reactive surface models in DSMC compute collision dependent carbon consumption rates (usually through desorption of CO) based on a set of surface reactions that has been derived from molecular beam experiments. The reactivity on each carbon surface element is constant in those models, such that the carbon surface recedes uniformly as a result of ablation. However, it is well known that in reality the carbon surface has locally different reaction rates due to the presence of defects at the atomic scale. These defective sites have a much higher reactivity than the average sites (2-3 orders of magnitude) and are first to react during ablation leading to its removal. This causes all the neighboring atoms to be defective and increase their reactivity, thus leading to the localized carbon removal around these ”active” sites. In this manner, these highly reactive defective sites serve as nucleation sites for the formation and growth of etch pits with potentially detrimental effects on the structural integrity. Recently a detailed surface chemistry framework was developed in SPARTA, capable of incorporating various reaction mechanisms such as adsorption, desorption, Eley-Rideal (ER) and Langmuir-Hinshelwood (LH) mechanisms. Within this framework, we have implemented the capability of a single surface having multiple site sets with different reactivities. Using this feature, we can simulate the presence of active sites on carbon surfaces, whose reactivity is much greater than an average site as a result of defects. We have implemented the active site fraction as a property of surface elements within SPARTA, which is directly proportional to the local reactivity of each surface element. By introducing an initial distribution of the active site fraction across the carbon surface, and propagating it in a manner that mimics the evolution of real reacting carbon surfaces, we are able to capture the formation and growth of etch pits as a result of surface consumption reactions such as oxidation.

DSMC↗

NASA NTRS1989

A review of detailed comparisons between experiments and DSMC calculations in nonequilibrium flows

Results are reviewed from several sources on a detailed validation by experiment of the DSMC technique for the prediction of nonequilibrium flows of monatomic gases. The validation is used as a basis for using the DSMC technique to conduct numerical experiments in low Mach number shock waves to investigate the Mach number limits on the applicability of the Navier-Stokes equations. It is noted that sufficient data exist to undertake a similar, initial validation of nonequilibrium flows of nitrogen to study details of rotational energy transfer.

Erwin, D. A.↗

NASA NTRS1990

Enhancements and applications of DSMC for hypersonic rarefied flows

A review of the direct simulation Monte Carlo (DSMC) method of Bird is presented. The DSMC method provides the capability of simulating real gas flows in the rarefield flow regime. Recent developments and applications of the method for hypersonic flows are reported for both ground-based tests and during entry. The flows considered were three-dimensional, and both an existing general code and a new code under development were used.

Moss, James N.↗

NASA NTRS1990

DSMC calculations for the double ellipse

The direct simulation Monte Carlo (DSMC) method involves the simultaneous computation of the trajectories of thousands of simulated molecules in simulated physical space. Rarefied flow about the double ellipse for test case 6.4.1 has been calculated with the DSMC method of Bird. The gas is assumed to be nonreacting nitrogen flowing at a 30 degree incidence with respect to the body axis, and for the surface boundary conditions, the wall is assumed to be diffuse with full thermal accommodation and at a constant wall temperature of 620 K. A parametric study is presented that considers the effect of variations of computational domain, gas model, cell size, and freestream density on surface quantities.

Moss, James N.↗

NASA NTRS1991

Hypersonic rarefied flow about a compression corner - DSMC simulation and experiment

The phenomena of shock/boundary-layer interactions and flow separation are investigated using both computational and experimental methods for low-density hypersonic flow about two-dimensional compression corners. The numerical calculations are made with the direct simulation Monte Carlo (DSMC) method. Experimental measurements provide information concerning the flowfield structure and surface flow patterns by means of gas glow discharge and oil flow pictures, respectively. Comparison of the two data sets provides a qualitative basis for assessing the ability of the DSMC method to describe such flows.

Moss, James N.↗

NASA NTRS1991

An efficient DSMC algorithm applied to a delta wing

A new algorithm for 3D direct simulation Monte Carlo (DSMC) is tested and numerical results are compared with wind tunnel data and results obtained earlier with a more traditional DSMC code. The test case is the flowfield around a delta wing at incidence at Knudsen number of 0.016 and Mach number of 20.2. The results are shown to compare favorably with both experimental and earlier numerical results. The new algorithm is described with special emphasis placed on its distinctive features: Cartesian/unstructured combination grid, special body surface definition, discretization in physical space.

Rault, D. F. G.↗

NASA NTRS1990

Hypersonic flow simulations using DSMC (direct simulation Monte Carlo)

A review of the DSMC method of Bird is presented. The DSMC method provides the capability of simulating real gas flows in the rarefied flow regime. Recent developments and applications of the method for hypersonic flows are reported for both ground-based tests and during entry. Results obtained using both axisymmetric and 3D codes are included.

Moss, James N.↗

NASA NTRS1991

Enhancements and applications of DSMC for hypersonic rarefied flows

A review of the direct simulation Monte Carlo (DSMC) method of Bird is presented. The DSMC method provides the capability of simulating real gas flows in the rarefied flow regime. Recent developments and applications of the method for hypersonic flows are reported for both ground-based tests and during entry. The flows considered were three-dimensional, and both an existing general code and a new code under development were used.

Moss, James N.↗

NASA NTRS1993

DSMC simulation of the interaction between rarefied free jets

This paper presents a direct simulation Monte Carlo (DSMC) calculation of two interacting free jets exhausting into vacuum. The computed flow field is compared against available experimental data and shows excellent agreement everywhere except in the very near field (less than one orifice diameter downstream of the jet exhaust plane). The lack of agreement in this region is attributed to having assumed an inviscid boundary condition for the orifice lip. The results serve both to validate the DSMC code for a very complex, three dimensional non-equilibrium flow field, and to provide some insight as to the complicated nature of this flow.

Dagum, Leonardo↗

NASA NTRS1995

DSMC calculations for 70-deg blunted cone at 3.2 km/s in nitrogen

Numerical results obtained with the direct simulation Monte Carlo (DSMC) method are presented for Mach 15.6 nitrogen flow about a 70-deg spherically blunted cone at zero incidence. This flow condition is one of several generated in the Large Energy National Shock (LENS) tunnel during tests of a 15.24 cm diameter model with an afterbody sting. The freestream Knudsen number, based on model diameter, is 0.0023. The focus of the DSMC calculations is to characterize the near wake flow under conditions where rarefaction effects may influence afterbody aerothermal loads. This report provides information concerning computational details along with flowfield and surface quantities. Calculations show that the flow enveloping the test model is in thermal nonequilibrium and a sizable vortex develops in the near wake. Along the model baseplane the heating rates are about 0.6 percent of the forebody stagnation value while the maximum heating along the sting is about 4.2 percent of the forebody stagnation value. Comparison of a Navier-Stokes solution with the present calculations show good agreement for surface heating, pressure, and skin friction results.

Moss, J. N.↗

NASA NTRS1995

Comparisons of the Maxwell and CLL gas/surface interaction models using DSMC

The behavior of two different models of gas-surface interactions is studied using the Direct Simulation Monte Carlo (DSMC) method. The DSMC calculations examine differences in predictions of aerodynamic forces and heat transfer between the Maxwell and the Cercignani-Lampis-Lord (CLL) models for flat plate configurations at freestream conditions corresponding to a 140 km orbit around Venus. The size of the flat plate represents one of the solar panels on the Magellan spacecraft, and the freestream conditions correspond to those experienced during aerobraking maneuvers. Results are presented for both a single flat plate and a two-plate configuration as a function of angle of attack and gas-surface accommodation coefficients. The two-plate system is not representative of the Magellan geometry but is studied to explore possible experiments that might be used to differentiate between the two gas-surface interaction models. The Maxwell and CLL models produce qualitatively similar results for the aerodynamic forces and heat transfer on a single flat plate. However, the flow fields produced with the two models are qualitatively different for both the single-plate and two-plate calculations. These differences in the flowfield lead to predictions of the angle of attack for maximum heat transfer in a two plate configuration that are distinctly different for the two gas-surface interactions models.

Hedahl, Marc O.↗