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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.↗

Proton Upset Monte Carlo Simulation

The Proton Upset Monte Carlo Simulation (PROPSET) program calculates the frequency of on-orbit upsets in computer chips (for given orbits such as Low Earth Orbit, Lunar Orbit, and the like) from proton bombardment based on the results of heavy ion testing alone. The software simulates the bombardment of modern microelectronic components (computer chips) with high-energy (.200 MeV) protons. The nuclear interaction of the proton with the silicon of the chip is modeled and nuclear fragments from this interaction are tracked using Monte Carlo techniques to produce statistically accurate predictions.

O'Neill, Patrick M.↗

Learning About Ares I from Monte Carlo Simulation

This paper addresses Monte Carlo simulation analyses that are being conducted to understand the behavior of the Ares I launch vehicle, and to assist with its design. After describing the simulation and modeling of Ares I, the paper addresses the process used to determine what simulations are necessary, and the parameters that are varied in order to understand how the Ares I vehicle will behave in flight. Outputs of these simulations furnish a significant group of design customers with data needed for the development of Ares I and of the Orion spacecraft that will ride atop Ares I. After listing the customers, examples of many of the outputs are described. Products discussed in this paper include those that support structural loads analysis, aerothermal analysis, flight control design, failure/abort analysis, determination of flight performance reserve, examination of orbit insertion accuracy, determination of the Upper Stage impact footprint, analysis of stage separation, analysis of launch probability, analysis of first stage recovery, thrust vector control and reaction control system design, liftoff drift analysis, communications analysis, umbilical release, acoustics, and design of jettison systems.

Hanson, John M.↗

Direct simulation Monte Carlo and Navier-Stokes simulations of blunt body wake flows

Numerical results obtained with direct simulation Monte Carlo and Navier-Stokes methods are presented for a Mach-20 nitrogen flow about a 70-deg blunted cone. The flow conditions simulated are those that can be obtained in existing low-density hypersonic wind tunnels. Three sets of flow conditions are considered with freestream Knudsen numbers ranging from 0.03 to 0.001. The focus is on the wake structure: how the wake structure changes as a function of rare faction, what the afterbody levels of heating are, and to what limits the continuum models are realistic as rarefunction in the wake is progressively increased. Calculations are made with and without an afterbody sting. Results for the afterbody sting are emphasized in anticipation of an experimental study for the current flow conditions and model configuration. The Navier-Stokes calculations were made with and without slip boundary conditions. Comparisons of the results obtained with the two simulation methodologies are made for both flowfield structure and surface quantities.

WAKE STRUCTURE↗

Simulations of deep galaxy fields. 1: Monte Carlo simulations of optical and near-infrared counts

Monte Carlo simulations of three-dimensional galaxy distributions are performed, following the 1988 prescription of Chokshi & Wright, to study the photometric properties of evolving galaxy populations in the optical and near-infrared bands to high redshifts. In this paper, the first of a series, we present our baseline model in which galaxy numbers are conserved, and in which no explicit 'starburst' population is included. We use the model in an attempt to simultaneously fit published blue and near-infrared photometric and spectroscopic observations of deep fields. We find that our baseline models, with a formation redshift, z(sub f), of 1000, and H(sub 0) = 50, are able to reproduce the blue counts to b(sub j) = 22, independent of the value of Omega(sub 0), and also to provide a satisfactory fit to the observed blue-band redshift distributions, but for no value of Omega(sub 0) do we achieve an acceptable fit to the fainter blue counts. In the K band, we fit the number counts to the limit of the present-day surveys only for an Omega(sub 0) = 0 cosmology. We investigate the effect on the model fits of varying the cosmological parameters H(sub 0), the formation red-shift z(sub f), and the local luminosity function. Changing H(sub 0) does not improve the fits to the observations. However, reducing the epoch of a galaxy formation used in our simulations has a substantial effect. In particular, a model with z(sub f) approximately equal to 5 in a low Omega(sub 0) universe improves the fit to the faintest photometric blue data without any need to invoke a new population of galaxies, substantial merging, or a significant starburst galaxy population. For an Omega(sub 0) = 1 universe, however, reducing z(sub f) is less successful at fitting the blue-band counts and has little effect at all at K. Varying the parameters of the local luminosity function can also have a significant effect. In particular the steep low end slope of the local luminosity function of Franceschini et al. allows an acceptable fit to the b(sub j) less than or equal to 25 counts for Omega(sub 0) = 1, but is incompatible with Omega(sub 0) = 0.

Chokshi, Arati↗

Simulations of Deep Galaxy Fields I: Monte-Carlo Simulations of Optical and Near Infrared Counts

Monte-Carlo simulations of three dimensional galaxy distributions are performed, following the prescription of Chokishi & Wright (1988), to study the photometric properties of evolving galaxy populations in the optical and near infrared bands to high redshifts. Galaxies are spatially distributed according to the spatial two point correlation function in a range of cluster to field environments andin volume elements appropriate to the cosmological model under consideration. Details of individual galaxy properties, including luminosities, morphologies, disk-to-bulge ratios, and size distributions are simulated to match local observed galaxy properties. Galaxies have evolving gas fraction, metallicity and spectral energy distributions that include both stellar emission and internal dust absorption and re-emission. The simulations result in noiseless two dimensional galaxy distributions on the sky that canbe compared to the observed deep images in the blue and near-infrared bands...

faint↗

Direct simulation Monte Carlo and Navier-Stokes simulations of blunt body wake flows

Numerical results obtained with direct simulation Monte Carlo and Navier-Stokes methods are presented for a Mach-20 nitrogen flow about a 70-deg blunted cone. The flow conditions simuulated are those that can be obtained in existing low-density hypersonic wind tunnels. Three sets of flow conditions are considered with freestream Knudsen numbers ranging from 0.03 to 0.001. The focus is on the wake structure: how the wake structure changes as a function of rarefaction, what the afterbody levels of heating are, and to what limits the continuum models are realistic as rarefaction in the wake is progressively increased. Calculations are made with and without an afterbody sting. Results for the after body sting are emphasizes in anticipation of an experimental study for the current flow conditions and model configuration. The Navier-Stokes calculations were made with and without slip boundary conditions. Comparisons of the results obtained with the two simulation methodologies are made for both flowfield structure and surface quantities.

Moss, James N.↗

Venus resurfacing rates: Constraints provided by 3-D Monte Carlo simulations

A 3-D Monte Carlo model that simulates the evolving surface of Venus under the influence of a flux of impacting objects and a variety of styles of volcanic resurfacing was implemented. For given rates of impact events and resurfacing, the model predicts the size-frequency and areal distributions of surviving impact craters as a function of time. The number of craters partially modified by volcanic events is also calculated as the surface evolves. It was found that a constant, global resurfacing rate of approximately 0.4 km(sup 3)/yr is required to explain the observed distributions of both the entire crater population, and the population of craters partially modified by volcanic processes.

Bullock, M. A.↗

Data Science Shows that Entropy Correlates with Accelerated Zeolite Crystallization in Monte Carlo Simulations

We have performed a data science study of Monte Carlo simulation trajectories to understand factors that can accelerate formation of zeolite nanoporous crystals, a process that can take days or even weeks. In previous work, Monte Carlo simulations predicted and experiments confirmed that using a secondary organic structure-directing agent (OSDA) accelerates crystallization of all-silica LTA zeolite, with experiments finding a three-fold speedup [PCCP 24, 142-148 (2022)]. However, it remains unclear what physical factors cause the speed-up. Here, we apply data science to analyze the simulation trajectories to discover what drives accelerated zeolite crystallization in Monte Carlo going from a one-OSDA synthesis (1OSDA) to a two-OSDA version (2OSDA). We encoded simulation snapshots using the Smooth Overlap of Atomic Positions approach, which represents all 2- and 3-body correlations within a given cutoff distance. Principal component analyses failed to discriminate datasets of structures from 1OSDA and 2OSDA simulations, while the Support Vector Machine (SVM) approach succeeded at classifying such structures with an area-under-curve (AUC) score of 0.99 (where AUC = 1 is a perfect classification) with all 3-body correlations, and as high as 0.94 with only 2-body correlations. SVM decision functions reveal relatively broad / narrow histograms for 1OSDA / 2OSDA datasets, suggesting that the two simulations differ strongly in information heterogeneity. Informed by these results, we performed pair (2-body) entropy calculations during crystallization, resulting in entropy differences that semi-quantitatively account for the speedup observed in the previous Monte Carlo simulations. We conclude that altering synthesis conditions in ways that substantially changes the entropy of labile silica networks may accelerate zeolite crystallization, and we discuss possible approaches for achieving such acceleration.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Monte Carlo Simulation of Sudden Death Bearing Testing

Monte Carlo simulations combined with sudden death testing were used to compare resultant bearing lives to the calculated hearing life and the cumulative test time and calendar time relative to sequential and censored sequential testing. A total of 30 960 virtual 50-mm bore deep-groove ball bearings were evaluated in 33 different sudden death test configurations comprising 36, 72, and 144 bearings each. Variations in both life and Weibull slope were a function of the number of bearings failed independent of the test method used and not the total number of bearings tested. Variation in L10 life as a function of number of bearings failed were similar to variations in lift obtained from sequentially failed real bearings and from Monte Carlo (virtual) testing of entire populations. Reductions up to 40 percent in bearing test time and calendar time can be achieved by testing to failure or the L(sub 50) life and terminating all testing when the last of the predetermined bearing failures has occurred. Sudden death testing is not a more efficient method to reduce bearing test time or calendar time when compared to censored sequential testing.

Vlcek, Brian L.↗

Monte Carlo simulation of vibrational relaxation in nitrogen

Monte Carlo simulation of nonequilibrium vibrational relaxation of (rotationless) N2 using transition probabilities form an extended SSH theory is presented. For the range of temperatures considered, 4000-8000 K, the vibrational levels were found to be reasonably close to an equilibrium distribution at an average vibrational temperature based on the vibrational energy of the gas. As a result, they do not show any statistically significant evidence of the bottleneck observed in earlier studies of N2. Based on this finding, it appears that, for the temperature range considered, dissociation commences after all vibrational levels equilibrate at the translational temperature.

Olynick, David P.↗

Monte Carlo Simulation of Nonlinear Radiation Induced Plasmas

A Monte Carlo simulation model for radiation induced plasmas with nonlinear properties due to recombination was, employing a piecewise linearized predict-correct iterative technique. Several important variance reduction techniques were developed and incorporated into the model, including an antithetic variates technique. This approach is especially efficient for plasma systems with inhomogeneous media, multidimensions, and irregular boundaries. The Monte Carlo code developed has been applied to the determination of the electron energy distribution function and related parameters for a noble gas plasma created by alpha-particle irradiation. The characteristics of the radiation induced plasma involved are given.

Wang, B. S.↗

Direct Simulation Monte Carlo with ionization and radiation

The Direct Simulation Monte Carlo (DSMC) method is applied to a 10 km/s flow at 0.1 torr. The assumptions used to model plasmas and electronic excitation with DSMC are investigated and new models for these processes are proposed. The results from the new modeling techniques are compared with results obtained using the previous models and the significant differences are discussed.

Carlson, Ann B.↗

James Webb Space Telescope (JWST) Stationkeeping Monte Carlo Simulations

The James Webb Space Telescope (JWST) will launch in 2018 into a Libration Point Orbit (LPO) around the Sun-EarthMoon (SEM) L2 point, with a planned mission lifetime of 11 years. This paper discusses our approach to Stationkeeping (SK) maneuver planning to determine an adequate SK delta-V budget. The SK maneuver planning for JWST is made challenging by two factors: JWST has a large Sunshield, and JWST will be repointed regularly producing significant changes in Solar Radiation Pressure (SRP). To accurately model SRP we employ the Solar Pressure and Drag (SPAD) tool, which uses ray tracing to accurately compute SRP force as a function of attitude. As an additional challenge, the future JWST observation schedule will not be known at the time of SK maneuver planning. Thus there will be significant variation in SRP between SK maneuvers, and the future variation in SRP is unknown. We have enhanced an earlier SK simulation to create a Monte Carlo simulation that incorporates random draws for uncertainties that affect the budget, including random draws of the observation schedule. Each SK maneuver is planned to optimize delta-V magnitude, subject to constraints on spacecraft pointing. We report the results of the Monte Carlo simulations and discuss possible improvements during flight operations to reduce the SK delta-V budget.

Monte Carlo↗

Stationkeeping Monte Carlo Simulation for the James Webb Space Telescope

The James Webb Space Telescope (JWST) is scheduled to launch in 2018 into a Libration Point Orbit (LPO) around the Sun-Earth/Moon (SEM) L2 point, with a planned mission lifetime of 10.5 years after a six-month transfer to the mission orbit. This paper discusses our approach to Stationkeeping (SK) maneuver planning to determine an adequate SK delta-V budget. The SK maneuver planning for JWST is made challenging by two factors: JWST has a large Sunshield, and JWST will be repointed regularly producing significant changes in Solar Radiation Pressure (SRP). To accurately model SRP we employ the Solar Pressure and Drag (SPAD) tool, which uses ray tracing to accurately compute SRP force as a function of attitude. As an additional challenge, the future JWST observation schedule will not be known at the time of SK maneuver planning. Thus there will be significant variation in SRP between SK maneuvers, and the future variation in SRP is unknown. We have enhanced an earlier SK simulation to create a Monte Carlo simulation that incorporates random draws for uncertainties that affect the budget, including random draws of the observation schedule. Each SK maneuver is planned to optimize delta-V magnitude, subject to constraints on spacecraft pointing. We report the results of the Monte Carlo simulations and discuss possible improvements during flight operations to reduce the SK delta-V budget.

Stationkeepting↗