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NASA NTRS2000

Atomistic Method Applied to Computational Modeling of Surface Alloys

The formation of surface alloys is a growing research field that, in terms of the surface structure of multicomponent systems, defines the frontier both for experimental and theoretical techniques. Because of the impact that the formation of surface alloys has on surface properties, researchers need reliable methods to predict new surface alloys and to help interpret unknown structures. The structure of surface alloys and when, and even if, they form are largely unpredictable from the known properties of the participating elements. No unified theory or model to date can infer surface alloy structures from the constituents properties or their bulk alloy characteristics. In spite of these severe limitations, a growing catalogue of such systems has been developed during the last decade, and only recently are global theories being advanced to fully understand the phenomenon. None of the methods used in other areas of surface science can properly model even the already known cases. Aware of these limitations, the Computational Materials Group at the NASA Glenn Research Center at Lewis Field has developed a useful, computationally economical, and physically sound methodology to enable the systematic study of surface alloy formation in metals. This tool has been tested successfully on several known systems for which hard experimental evidence exists and has been used to predict ternary surface alloy formation (results to be published: Garces, J.E.; Bozzolo, G.; and Mosca, H.: Atomistic Modeling of Pd/Cu(100) Surface Alloy Formation. Surf. Sci., 2000 (in press); Mosca, H.; Garces J.E.; and Bozzolo, G.: Surface Ternary Alloys of (Cu,Au)/Ni(110). (Accepted for publication in Surf. Sci., 2000.); and Garces, J.E.; Bozzolo, G.; Mosca, H.; and Abel, P.: A New Approach for Atomistic Modeling of Pd/Cu(110) Surface Alloy Formation. (Submitted to Appl. Surf. Sci.)). Ternary alloy formation is a field yet to be fully explored experimentally. The computational tool, which is based on the BFS (Bozzolo, Ferrante, and Smith) method for the calculation of the energetics, consists of a small number of simple PCbased computer codes that deal with the different aspects of surface alloy formation. Two analysis modes are available within this package. The first mode provides an atom-by-atom description of real and virtual stages 1. during the process of surface alloying, based on the construction of catalogues of configurations where each configuration describes one possible atomic distribution. BFS analysis of this catalogue provides information on accessible states, possible ordering patterns, and details of island formation or film growth. More importantly, it provides insight into the evolution of the system. Software developed by the Computational Materials Group allows for the study of an arbitrary number of elements forming surface alloys, including an arbitrary number of surface atomic layers. The second mode involves large-scale temperature-dependent computer 2. simulations that use the BFS method for the energetics and provide information on the dynamic processes during surface alloying. These simulations require the implementation of Monte-Carlo-based codes with high efficiency within current workstation environments. This methodology capitalizes on the advantages of the BFS method: there are no restrictions on the number or type of elements or on the type of crystallographic structure considered. This removes any restrictions in the definition of the configuration catalogues used in the analytical calculations, thus allowing for the study of arbitrary ordering patterns, ultimately leading to the actual surface alloy structure. Moreover, the Monte Carlo numerical technique used for the large-scale simulations allows for a detailed visualization of the simulated process, the main advantage of this type of analysis being the ability to understand the underlying features that drive these processes. Because of the simplicity of the BFS method for e energetics used in these calculations, a detailed atom-by-atom analysis can be performed at any point in the simulation, providing necessary insight on the details of the process. The main objective of this research program is to develop a tool to guide experimenters in understanding and interpreting often unexpected results in alloy formation experiments. By reducing the computational effort without losing physical accuracy, we expect that powerful simulation tools will be developed in the immediate future, which will allow material scientists to easily visualize and analyze processes at a level not achievable experimentally.

Bozzolo, Guillermo H.↗

NASA NTRS2010

Electron Beam Return-Current Losses in Solar Flares: Initial Comparison of Analytical and Numerical Results

Accelerated electrons play an important role in the energetics of solar flares. Understanding the process or processes that accelerate these electrons to high, nonthermal energies also depends on understanding the evolution of these electrons between the acceleration region and the region where they are observed through their hard X-ray or radio emission. Energy losses in the co-spatial electric field that drives the current-neutralizing return current can flatten the electron distribution toward low energies. This in turn flattens the corresponding bremsstrahlung hard X-ray spectrum toward low energies. The lost electron beam energy also enhances heating in the coronal part of the flare loop. Extending earlier work by Knight & Sturrock (1977), Emslie (1980), Diakonov & Somov (1988), and Litvinenko & Somov (1991), I have derived analytical and semi-analytical results for the nonthermal electron distribution function and the self-consistent electric field strength in the presence of a steady-state return-current. I review these results, presented previously at the 2009 SPD Meeting in Boulder, CO, and compare them and computed X-ray spectra with numerical results obtained by Zharkova & Gordovskii (2005, 2006). The phYSical significance of similarities and differences in the results will be emphasized. This work is supported by NASA's Heliophysics Guest Investigator Program and the RHESSI Project.

Holman, Gordon↗

NASA NTRS1997

Thermal Radiation Effects Analyzed in Translucent Composite and Thermal Barrier Coating

Ceramic parts and coatings are needed to withstand high temperatures in advanced aircraft engines. In hot environments, such as in the combustion chambers of these engines, infrared and visible radiation can penetrate into some ceramics and heat them internally. The internal temperatures depend on radiative effects combined with heat conduction, and on convection and radiation at the material boundaries. Since engine temperatures are high, radiant emission can be large from within translucent parts and coatings, and this must be included in the analysis. Transient and steady-state behavior are both important. During a transient, radiant penetration provides more rapid internal heating than conduction alone, and the temperature distributions are usually considerably different than for steady-state conditions; this can produce transient thermal stresses. Analytical and numerical methods are being used at the NASA Lewis Research Center to predict transient temperatures and heat flows in translucent materials. A transient analysis was done for a composite of two translucent layers. The layer refractive indices were larger than 1, producing internal reflections at the boundaries and at the internal interface. In addition, steady-state results were computed for a two-layer composite with one layer opaque. The results were used to assess the importance of internal radiation in a zirconia thermal barrier coating on a cooled metal wall. Since the radiative transfer equations are rather complex, especially when internal scattering is included, approximate methods are being investigated that might be convenient for computer design programs. An approximate two-flux method was used and verified by comparisons with solutions that used exact radiative transfer relations. The two-flux equations include scattering without increasing solution difficulty.

Siegel, Robert↗

NASA NTRS1987

Transient response for interaction of two dynamic bodies

During the launch sequence of any space vehicle complicated boundary interactions occur between the vehicle and the launch stand. At the start of the sequence large forces exist between the two; contact is then broken in a short but finite time which depends on the release mechanism. The resulting vehicle response produces loads which are very high and often form the design case. It is known that the treatment of the launch pad as a second dynamic body is significant for an accurate prediction of launch response. A technique was developed for obtaining loads generated by the launch transient with the effect of pad dynamics included. The method solves uncoupled vehicle and pad equations of motion. The use of uncoupled models allows the simulation of vehicle launch in a single computer run. Modal formulation allows a closed-form solution to be written, eliminating any need for a numerical integration algorithm. When the vehicle is on the pad the uncoupled pad and vehicle equations have to be modified to account for the constraints they impose on each other. This necessitates the use of an iterative procedure to converge to a solution, using Lagrange multipliers to apply the required constraints. As the vehicle lifts off the pad the coupling between the vehicle and the pad is eliminated point by point until the vehicle flies free. Results obtained by this method were shown to be in good agreement with observed loads and other analysis methods. The resulting computer program is general, and was used without modification to solve a variety of contact problems.

Prabhakar, A.↗

NASA NTRS2015

Use of Existing CAD Models for Radiation Shielding Analysis

The utility of a radiation exposure analysis depends not only on the accuracy of the underlying particle transport code, but also on the accuracy of the geometric representations of both the vehicle used as radiation shielding mass and the phantom representation of the human form. The current NASA/Space Radiation Analysis Group (SRAG) process to determine crew radiation exposure in a vehicle design incorporates both output from an analytic High Z and Energy Particle Transport (HZETRN) code and the properties (i.e., material thicknesses) of a previously processed drawing. This geometry pre-process can be time-consuming, and the results are less accurate than those determined using a Monte Carlo-based particle transport code. The current work aims to improve this process. Although several Monte Carlo programs (FLUKA, Geant4) are readily available, most use an internal geometry engine. The lack of an interface with the standard CAD formats used by the vehicle designers limits the ability of the user to communicate complex geometries. Translation of native CAD drawings into a format readable by these transport programs is time consuming and prone to error. The Direct Accelerated Geometry -United (DAGU) project is intended to provide an interface between the native vehicle or phantom CAD geometry and multiple particle transport codes to minimize problem setup, computing time and analysis error.

Lee, K. T.↗

NASA NTRS1986

Dynamic remapping decisions in multi-phase parallel computations

The effectiveness of any given mapping of workload to processors in a parallel system is dependent on the stochastic behavior of the workload. Program behavior is often characterized by a sequence of phases, with phase changes occurring unpredictably. During a phase, the behavior is fairly stable, but may become quite different during the next phase. Thus a workload assignment generated for one phase may hinder performance during the next phase. We consider the problem of deciding whether to remap a paralled computation in the face of uncertainty in remapping's utility. Fundamentally, it is necessary to balance the expected remapping performance gain against the delay cost of remapping. This paper treats this problem formally by constructing a probabilistic model of a computation with at most two phases. We use stochastic dynamic programming to show that the remapping decision policy which minimizes the expected running time of the computation has an extremely simple structure: the optimal decision at any step is followed by comparing the probability of remapping gain against a threshold. This theoretical result stresses the importance of detecting a phase change, and assessing the possibility of gain from remapping. We also empirically study the sensitivity of optimal performance to imprecise decision threshold. Under a wide range of model parameter values, we find nearly optimal performance if remapping is chosen simply when the gain probability is high. These results strongly suggest that except in extreme cases, the remapping decision problem is essentially that of dynamically determining whether gain can be achieved by remapping after a phase change; precise quantification of the decision model parameters is not necessary.

Nicol, D. M.↗

NASA NTRS1993

Neurophysiological study on visuo-vestibular control of posture and movement in fish during adaptation to weightlessness

We can stand upright and walk smoothly without paying any particular attention to it. This is because we have established in ourselves an integration center that controls our body subconsciously in response to input from eyes, muscles, joints, foot soles, and also from the gravity sensor in the inner ear (the otolith organ). It has been shown that the cerebellum plays an important role for the establishment of the integration center and that the control pattern is comparable to that of a highly sophisticated computer system. The programming for the control, however, may well be acquired for the 1-g ground condition and does not cover the 0-g in space. Although each of the above organs function as it does on the ground, the signal pattern sent to the center must be different under 0-g and, in addition, complementary signals from the otolith organ are missing, leading to confusion in the integration center and causing a variety of symptoms similar to those of car-sickness or sea-sickness. After exposure to microgravity an immediate process of re-programming will begin and be completed in 2-4 days. There is strong supporting evidence for this sensory conflict theory as an explanation for space motion sickness (SMS) episodes. Fish were selected as test organisms for this investigation because they swim around freely in three dimensions and have well-developed organs for vision and gravity detection. They also have an innate nature to orient their back toward a light source. Actually, on the ground, the fish tilts its vertical axis toward the light when illuminated laterally, and the tilt angle is a function of the intensity of light and the magnitude of gravity, while its posture is completely light-dependent in the low-gravity environment produced by aircraft parabolic flight or when the otolith organs are removed. This implies that fish posture is entirely under visual and otolithic control. In this case, the cerebellum will also contribute to the control. In the space shuttle experiment, two fish (one with otolith-removed and the other with intact otoliths) are onboard for 7 days. The arrangement of the experiment is shown. Lamps illuminate each fish alternately from different directions at a duration of 20 seconds for 10 minutes totally, twice a day. The video images and the brain waves from the cerebellum are analyzed later. If the sensory conflict theory is acceptable, then the confusion at the onset and the following recovery process will be manifested both in the light-dependent behavior and also in the cerebellar activity. In addition, there should be some variation in response between the two fish. Even if the results are positive in the present fish experiment, they would not be extensive enough to allow us to understand the complete mechanisms of SMS. However, what is currently needed is a collection of evidence based on animal experiments on which to base future investigations. Countermeasures for SMS are mandatory since SMS-induced vomiting occurring within a space suit could be fatal for a crew member during extravehicular activities. We expect that countermeasures will be developed before the space station era starts, and that the results of these studies will be applied to improving human welfare.

Mori, Shigeo↗

NASA NTRSDate not supplied

Experimental and Theoretical Needs for the JWST Early Release Science Program on Radiative Feedback from Massive Stars (PDRs4ALL): III. A Quantum Chemistry Perspective

Massive stars disrupt their natal molecular cloud material by dissociating molecules, ionizing atoms and molecules, and heating the gas and dust. These processes drive the evolution of interstellar matter in our Galaxy and throughout the Universe from the era of vigorous star formation at z=1-3 to the present day. Much of this interaction occurs in Photo- Dissociation Regions (PDRs) where far-ultraviolet photons of these stars create a largely neutral, but warm region of gas and dust. PDR emission dominates the IR spectra of starforming galaxies and provides a unique tool to study the physical and chemical processes that are relevant for inter- and circumstellar media including diffuse clouds, molecular cloud and protoplanetary disk surfaces, and starburst galaxies. The ERS program ID1288 is dedicated to provide template data as well as data processing and analysis tools for PDRs. To this end, it will observe the Orion Bar, the proto-typical PDR situated in the nearby Orion Nebula, using NIRSpec IFU, MIRI IFU, and NIRCAM and MIRI imaging. These observations will, for the first time, spatially resolve and perform a tomography of the PDR, revealing the individual IR spectral signatures from the key zones and sub-regions within the ionized gas, the PDR, and the molecular cloud. Quantum chemistry can be used to determine molecular data such as ionization potentials, chemical reaction rates, electronic spectra, dissociation energies, channels, and branching ratios, etc. These are often used in synergy with experiment to take advantage of the strengths of each approach. An area of active research is modeling the infrared (IR) emission spectra produced by PAH molecules, including the effects of anharmonicity. This will be important in the interpretation of JWST data which will yield higher-resolution spectral data compared to Spitzer or ISO. Quantum chemistry methods can compute accurate anharmonic IR absorption spectra of PAH molecules up to about 25 C atoms, and the results have been benchmarked against high-resolution experimental spectra. These feed into a quantum Monte Carlo (QMC) approach to generate temperature-dependent anharmonic IR emission spectra and then used to generate fully anharmonic cascade emission IR spectra of PAH molecules -- the very type of spectra that JWST will observe. Work continues to extend these methods to larger PAH molecules. We will discuss the current state of this work, as well as

Timothy Lee↗

NASA NTRS1995

Analysis of shadowing effects on MIR photovoltaic and solar dynamic power systems

The NASA Lewis Research Center is currently working with RSC-Energia, the Russian Space Agency, and Allied Signal in developing a flight demonstration solar dynamic power system. This type of power system is dependent upon solar flux that is reflected and concentrated into a thermal storage system to provide the thermal energy input to a closed-cycle Brayton heat engine. The solar dynamic unit will be flown on the Russian Mir space station in anticipation of use on the International Space Station Alpha. By the time the power system is launched, the Mir will be a spatially complex configuration which will have, in addition to the three-gimbaled solar dynamic unit, eleven solar array wings that are either fixed or track the Sun along one axis and a variety or repositionable habitation and experiment modules. The proximity of arrays to modules creates a situation which makes it highly probable that there will be varying solar flux due to shadowing on the solar dynamic unit and some of the arrays throughout the orbit. Shadowing causes fluctuations in the power output from the arrays and the solar dynamic power system, thus reducing the energy capabilities of the spacecraft. An assessment of the capabilities of the power system under these conditions is an important part in influencing the design and operations of the spacecraft and predicting its energy performance. This paper describes the results obtained from using the Orbiting Spacecraft Shadowing Analysis Station program that was integrated into the Station Power Analysis for Capability Evaluation (SPACE) electrical power system computer program. OSSA allows one to consider the numerous complex factors for analyzing the shadowing effects on the electrical power system including the variety of spacecraft hardware geometric configurations, yearly and daily orbital variations in the vehicle attitude and orbital maneuvers (for communications coverage, payload pointing requirements and rendezvous/docking with other vehicles). The geometric models of the MIR with a solar dynamic power unit that were used in performing shadowing analyses are described. Also presented in this paper are results for individual orbits for several flight attitude cases which include assessments of the shadowing impacts upon the solar dynamic unit and the solar arrays. These cases depict typical MIR flight attitudes likely to have shadowing impact. Because of the time varying nature of the Mir orientation with respect to the Sun and the lack of knowledge of the precise timing of the attitude changes, strategies must be devised to assess and depict the shadowing impacts on power generation throughout the year. To address this, the best, nominal and worst impacts of shadowing considering a wide possible range of parameter changes for typical mission operation period are shown.

Fincannon, James↗

NASA NTRS1994

Convective flow effects on protein crystal growth

The long-term stability of the interferometric setup for the monitoring of protein morphologies has been improved. Growth or dissolution of a crystal on a 100 A scale can now be clearly distinguished from dimensional changes occurring within the optical path of the interferometer. This capability of simultaneously monitoring the local interfacial displacement at several widely-spaced positions on the crystal surface with high local depth resolution, has already yielded novel results. We found with lysozyme that (1) the normal growth rate is oscillatory, and (2) the mean growth step density is greater at the periphery of a facet than in its center. The repartitioning of Na(+) and Cl(-) ions between lysozyme solutions and crystals was studied for a wide range of crystallization conditions. A nucleation-growth-repartitioning model was developed to interpret the large body of data in a unified way. The results strongly suggests that (1) the ion to lysozyme ratio in the crystal depends mostly on kinetic rather than crystallographic parameters, and (2) lysozyme crystals possess a salt-rich core with a diameter on the order of 10 microns. The computational model for diffusive-convective transport in protein crystallization (see the First Report) has been applied to a realistic growth cell geometry, taking into account the findings of the above repartitioning studies. These results show that some elements of a moving boundary problem must be incorporated into the model in order to obtain a more realistic description. Our experimental setup for light scattering investigations of aggregation and nucleation in protein solutions has been extensively tested. Scattering intensity measurements with a true Rayleigh scatterer produced systematically increased forward scattering, indicating problems with glare. These have been resolved. Preliminary measurements with supersaturated lysozyme solutions revealed that the scatterers grow with time. Work has begun on a computer program for the unified evaluation of simultaneously obtained, multi-angle static and dynamic light scattering data.

Rosenberger, Franz↗

NASA NTRS1993

Preconditioning for the Navier-Stokes equations with finite-rate chemistry

The extension of Van Leer's preconditioning procedure to generalized finite-rate chemistry is discussed. Application to viscous flow is begun with the proper preconditioning matrix for the one-dimensional Navier-Stokes equations. Eigenvalue stiffness is resolved and convergence-rate acceleration is demonstrated over the entire Mach-number range from nearly stagnant flow to hypersonic. Specific benefits are realized at the low and transonic flow speeds typical of complete propulsion-system simulations. The extended preconditioning matrix necessarily accounts for both thermal and chemical nonequilibrium. Numerical analysis reveals the possible theoretical improvements from using a preconditioner for all Mach number regimes. Numerical results confirm the expectations from the numerical analysis. Representative test cases include flows with previously troublesome embedded high-condition-number areas. Van Leer, Lee, and Roe recently developed an optimal, analytic preconditioning technique to reduce eigenvalue stiffness over the full Mach-number range. By multiplying the flux-balance residual with the preconditioning matrix, the acoustic wave speeds are scaled so that all waves propagate at the same rate, an essential property to eliminate inherent eigenvalue stiffness. This session discusses a synthesis of the thermochemical nonequilibrium flux-splitting developed by Grossman and Cinnella and the characteristic wave preconditioning of Van Leer into a powerful tool for implicitly solving two and three-dimensional flows with generalized finite-rate chemistry. For finite-rate chemistry, the state vector of unknowns is variable in length. Therefore, the preconditioning matrix extended to generalized finite-rate chemistry must accommodate a flexible system of moving waves. Fortunately, no new kind of wave appears in the system. The only existing waves are entropy and vorticity waves, which move with the fluid, and acoustic waves, which propagate in Mach number dependent directions. The nonequilibrium vibrational energies and species densities in the unknown state vector act strictly as convective waves. The essential concept for extending the preconditioning to generalized chemistry models is determining the differential variables which symmetrize the flux Jacobians. The extension is then straight-forward. This algorithm research effort will be released in a future version of the production level computational code coined the General Aerodynamic Simulation Program (GASP), developed by Walters, Slack, and McGrory.

Godfrey, Andrew G.↗

NASA NTRS1997

Frozen-Flux Modelling for Epochs 1915 and 1980

The frozen-flux hypothesis for the Earth's liquid core assumes that convective terms dominate diffusive terms in the induction equation governing the behaviour of the magnetic field at the surface of the core. While highly plausible on the basis of estimates of physical parameters, the hypothesis has been questioned. To study this hypothesis, we improve the method which tests the consistency of magnetic observations with the hypothesis by constructing simple, flux-conserving core-field models fitting the data at pairs of epochs. We introduce a new approach that fixes the patch configurations at each of the two epochs before inversion, so that each configuration is consistent with its respective data set but possesses the same patch topology. We expand upon the inversion algorithm, using quadratic programming to maintain the proper flux sign within patches; the modelling calculations are also extended to include data types that depend non-linearly on the model. Every test of a hypothesis depends on the characterization of the observational uncertainties; we undertake a thorough review of this question. For main-field models, the primary source of uncertainty comes from the crustal field. We base our analysis on statistical models of the crustal magnetization, adjusted to bring it into better conformity with our data set. The noise model permits us to take into account the correlations between the measurements and requires that a different weighting be given to horizontal and vertical components. It also indicates that the observations should be fit more closely than has been the practice heretofore. We apply the revised method to Magsat data from 1980 and survey and observatory data from 1915.5, two data sets believed to be particularly difficult to reconcile with the frozen-flux hypothesis. We compute a pair of simple, flux-conserving models that fit the averaged data from each epoch. We therefore conclude that present knowledge of the geomagnetic fields of 1980 and 1915.5 is consistent with the frozen-flux hypothesis.

OBrien, Michael S.↗

NASA NTRS2011

Generalized Software Architecture Applied to the Continuous Lunar Water Separation Process and the Lunar Greenhouse Amplifier

This innovation provides the user with autonomous on-screen monitoring, embedded computations, and tabulated output for two new processes. The software was originally written for the Continuous Lunar Water Separation Process (CLWSP), but was found to be general enough to be applicable to the Lunar Greenhouse Amplifier (LGA) as well, with minor alterations. The resultant program should have general applicability to many laboratory processes (see figure). The objective for these programs was to create a software application that would provide both autonomous monitoring and data storage, along with manual manipulation. The software also allows operators the ability to input experimental changes and comments in real time without modifying the code itself. Common process elements, such as thermocouples, pressure transducers, and relative humidity sensors, are easily incorporated into the program in various configurations, along with specialized devices such as photodiode sensors. The goal of the CLWSP research project is to design, build, and test a new method to continuously separate, capture, and quantify water from a gas stream. The application is any In-Situ Resource Utilization (ISRU) process that desires to extract or produce water from lunar or planetary regolith. The present work is aimed at circumventing current problems and ultimately producing a system capable of continuous operation at moderate temperatures that can be scaled over a large capacity range depending on the ISRU process. The goal of the LGA research project is to design, build, and test a new type of greenhouse that could be used on the moon or Mars. The LGA uses super greenhouse gases (SGGs) to absorb long-wavelength radiation, thus creating a highly efficient greenhouse at a future lunar or Mars outpost. Silica-based glass, although highly efficient at trapping heat, is heavy, fragile, and not suitable for space greenhouse applications. Plastics are much lighter and resilient, but are not efficient for absorbing longwavelength infrared radiation and therefore will lose more heat to the environment compared to glass. The LGA unit uses a transparent polymer antechamber that surrounds part of the greenhouse and encases the SGGs, thereby minimizing infrared losses through the plastic windows. With ambient temperatures at the lunar poles at 50 C, the LGA should provide a substantial enhancement to currently conceived lunar greenhouses. Positive results obtained from this project could lead to a future large-scale system capable of running autonomously on the Moon, Mars, and beyond. The software for both applications needs to run the entire units and all subprocesses; however, throughout testing, many variables and parameters need to be changed as more is learned about the system operation. The software provides the versatility to permit the software operation to change as the user requirements evolve.

Perusich, Stephen↗

NASA NTRS1997

Efficient Parallel Kernel Solvers for Computational Fluid Dynamics Applications

Distributed-memory parallel computers dominate today's parallel computing arena. These machines, such as Intel Paragon, IBM SP2, and Cray Origin2OO, have successfully delivered high performance computing power for solving some of the so-called "grand-challenge" problems. Despite initial success, parallel machines have not been widely accepted in production engineering environments due to the complexity of parallel programming. On a parallel computing system, a task has to be partitioned and distributed appropriately among processors to reduce communication cost and to attain load balance. More importantly, even with careful partitioning and mapping, the performance of an algorithm may still be unsatisfactory, since conventional sequential algorithms may be serial in nature and may not be implemented efficiently on parallel machines. In many cases, new algorithms have to be introduced to increase parallel performance. In order to achieve optimal performance, in addition to partitioning and mapping, a careful performance study should be conducted for a given application to find a good algorithm-machine combination. This process, however, is usually painful and elusive. The goal of this project is to design and develop efficient parallel algorithms for highly accurate Computational Fluid Dynamics (CFD) simulations and other engineering applications. The work plan is 1) developing highly accurate parallel numerical algorithms, 2) conduct preliminary testing to verify the effectiveness and potential of these algorithms, 3) incorporate newly developed algorithms into actual simulation packages. The work plan has well achieved. Two highly accurate, efficient Poisson solvers have been developed and tested based on two different approaches: (1) Adopting a mathematical geometry which has a better capacity to describe the fluid, (2) Using compact scheme to gain high order accuracy in numerical discretization. The previously developed Parallel Diagonal Dominant (PDD) algorithm and Reduced Parallel Diagonal Dominant (RPDD) algorithm have been carefully studied on different parallel platforms for different applications, and a NASA simulation code developed by Man M. Rai and his colleagues has been parallelized and implemented based on data dependency analysis. These achievements are addressed in detail in the paper.

Sun, Xian-He↗

NASA NTRS1992

Hydrogen leak detection in the Space Shuttle

This study focuses on a helium gas jet flowing into room air. Measurements of helium concentration and velocity in the jet-air mixture are reported. The objective is to learn about jet characteristics so that dynamically similar hydrogen leaks may be located in the Space Shuttle. The hazardous gas detection system (HGDS) in the mobile launch pad uses mass spectrometers to monitor the shuttle environment for leaks. The mass spectrometers are fed by long sample tubes which draw gas from the payload bay, mid body, aft engine compartment and external tank. The overall purpose of this study is to improve the HGDS especially in its potential for locating hydrogen leaks. A rapid-response leak detection experiment was designed, built, and tested, following on the work done in this program last summer. The apparatus included a Perkin Elmer MGA-1200 mass spectrometer and air velocity transducer, both monitored by a Macintosh IIFX computer using LabVIEW software. A jet of helium flowing into the lab air simulated a gas leak. Steady helium or hydrogen-nitrogen jets were logged for concentration and velocity, and the power spectral density of each was computed. Last year, large eddies and vortices were visually seen with Schlieren imaging, and they were detected in the time plots of the various instruments. The response time of the MGA-1200 was found in the range of 0.05 to 0.1 sec. Pulsed concentration waves were clearly detected at 25 cycles per sec by spectral analysis of MGA data. No peaks were detected in the power spectrum, so in the present study, 10 Hz bandwidth-averaged power levels were examined at regular frequency intervals. The practical consequences of last year's study are as follows: sampling frequency should be increased above the present rate of 1 sample per second so that transients could be observed and analyzed with frequency response methods. Many more experiments and conditions were observed in this second summer, including the effects of orifice diameter, jet velocity, sample tube design, radial effects, vertical flow, and low hydrogen concentrations (1 percent). A frequent observation was that the power spectrum, calculated from the Fourier transform of concentration fluctuations, gives a separate piece of information from concentration. Many of the tests suggest that power is high where mixing occurs at the helium-air interface. This fact is apparently independent of the concentration level, which could be high or low, but depends on the sample location relative to the jet (leak) origin, whereas high concentration may be due to a strong leak far away or a small leak close to the sample tube. If the power is low for any concentration level, this would signify helium is arriving at the sample tube by diffusion, not chaotic mixing caused by the jet interaction with air. The practical result is to propose a modification of the HGDL mass spectrometer data sampling and software so that sampling rates could be capable of observing at least 25 Hz fluctuations.

Barile, Ronald G↗

NASA NTRS2010

Ensuring US National Aeronautics Test Capabilities

U.S. leadership in aeronautics depends on ready access to technologically advanced, efficient, and affordable aeronautics test capabilities. These systems include major wind tunnels and propulsion test facilities and flight test capabilities. The federal government owns the majority of the major aeronautics test capabilities in the United States, primarily through the National Aeronautics and Space Administration (NASA) and the Department of Defense (DoD). However, changes in the Aerospace landscape, primarily the decrease in demand for testing over the last 20 years required an overarching strategy for management of these national assets. Therefore, NASA established the Aeronautics Test Program (ATP) as a two-pronged strategic initiative to: (1) retain and invest in NASA aeronautics test capabilities considered strategically important to the agency and the nation, and (2) establish a strong, high level partnership with the DoD. Test facility utilization is a critical factor for ATP because it relies on user occupancy fees to recover a substantial part of the operations costs for its facilities. Decreasing utilization is an indicator of excess capacity and in some cases low-risk redundancy (i.e., several facilities with basically the same capability and overall low utilization). However, low utilization does not necessarily translate to lack of strategic importance. Some facilities with relatively low utilization are nonetheless vitally important because of the unique nature of the capability and the foreseeable aeronautics testing needs. Unfortunately, since its inception, the customer base for ATP has continued to shrink. Utilization of ATP wind tunnels has declined by more than 50% from the FY 2006 levels. This significant decrease in customer usage is attributable to several factors, including the overall decline in new programs and projects in the aerospace sector; the impact of computational fluid dynamics (CFD) on the design, development, and research process; and the reductions in wind tunnel testing requirements within the largest consumer of ATP wind tunnel test time, the Aeronautics Research Mission Directorate (ARMD). Retirement of the Space Shuttle Program and recent perturbations of NASA's Constellation Program will exacerbate this downward trend. Therefore it is crucial that ATP periodically revisit and determine which of its test capabilities are strategically important, which qualify as low-risk redundancies that could be put in an inactive status or closed, and address the challenges associated with both sustainment and improvements to the test capabilities that must remain active. This presentation will provide an overview of the ATP vision, mission, and goals as well as the challenges and opportunities the program is facing both today and in the future. We will discuss the strategy ATP is taking over the next five years to address the National aeronautics test capability challenges and what the program will do to capitalize on its opportunities to ensure a ready, robust and relevant portfolio of National aeronautics test capabilities.

Marshall, Timothy J.↗

NASA NTRS1996

An optimized index of human cardiovascular adaptation to simulated weightlessness

Prolonged exposure to weightlessness is known to produce a variety of cardiovascular changes, some of which may influence the astronaut's performance during a mission. In order to find a reliable indicator of cardiovascular adaptation to weightlessness, we analyzed data from nine male subjects after a 24-hour period of normal activity and after a period of simulated weightlessness produced by two hours in a launch position followed by 20 hours of 6 degrees head-down tilt plus pharmacologically induced diuresis (furosemide). Heart rate, arterial pressure, thoracic fluid index, and radial flow were analyzed. Autoregressive spectral estimation and decomposition were used to obtain the spectral components of each variable from the subjects in the supine position during pre- and post-simulated weightlessness. We found a significant decrease in heart rate power and an increase in thoracic fluid index power in the high frequency region (0.2-0.45 Hz) and significant increases in radial flow and arterial pressure powers in the low frequency region (<0.2 Hz) in response to simulated weightlessness. However, due to the variability among subjects, any single variable appeared limited as a dependable index of cardiovascular adaptation to weightlessness. The backward elimination algorithm was then used to select the best discriminatory features from these spectral components. Fisher's linear discriminant and Bayes' quadratic discriminant were used to combine the selected features to obtain an optimal index of adaptation to simulated weightlessness. Results showed that both techniques provided improved discriminant performance over any single variable and thus have the potential for use as an index to track adaptation and prescribe countermeasures to the effects of weightlessness.

NASA Discipline Number 14-10↗

NASA NTRS2009

An Intelligent Archive Testbed Incorporating Data Mining

Many significant advances have occurred during the last two decades in remote sensing instrumentation, computation, storage, and communication technology. A series of Earth observing satellites have been launched by U.S. and international agencies and have been operating and collecting global data on a regular basis. These advances have created a data rich environment for scientific research and applications. NASA s Earth Observing System (EOS) Data and Information System (EOSDIS) has been operational since August 1994 with support for pre-EOS data. Currently, EOSDIS supports all the EOS missions including Terra (1999), Aqua (2002), ICESat (2002) and Aura (2004). EOSDIS has been effectively capturing, processing and archiving several terabytes of standard data products each day. It has also been distributing these data products at a rate of several terabytes per day to a diverse and globally distributed user community (Ramapriyan et al. 2009). There are other NASA-sponsored data system activities including measurement-based systems such as the Ocean Data Processing System and the Precipitation Processing system, and several projects under the Research, Education and Applications Solutions Network (REASoN), Making Earth Science Data Records for Use in Research Environments (MEaSUREs), and the Advancing Collaborative Connections for Earth-Sun System Science (ACCESS) programs. Together, these activities provide a rich set of resources constituting a value chain for users to obtain data at various levels ranging from raw radiances to interdisciplinary model outputs. The result has been a significant leap in our understanding of the Earth systems that all humans depend on for their enjoyment, livelihood, and survival. The trend in the community today is towards many distributed sets of providers of data and services. Despite this, visions for the future include users being able to locate, fuse and utilize data with location transparency and high degree of interoperability, and being able to convert data to information and usable knowledge in an efficient, convenient manner, aided significantly by automation (Ramapriyan et al. 2004; NASA 2005). We can look upon the distributed provider environment with capabilities to convert data to information and to knowledge as an Intelligent Archive in the Context of a Knowledge Building system (IA-KBS). Some of the key capabilities of an IA-KBS are: Virtual Product Generation, Significant Event Detection, Automated Data Quality Assessment, Large-Scale Data Mining, Dynamic Feedback Loop, and Data Discovery and Efficient Requesting (Ramapriyan et al. 2004).

Ramapriyan, H.↗