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NASA NTRS1998

Theoretical and Experimental Determination of the Proton Affinity of (CF3CH2)2O

We report the experimental determination of the proton affinity of the molecule (CF3CH2)2O using chemical ionization mass spectrometry, and we compare it to the theoretical value obtained for protonation at the oxygen atom using the calculational methodology (MP2/6-31G**//MP2/3-21G). The proton affinity for this molecule as measured by bracketing experiments was between 724 kJ/mole and 741 kJ/mole. Ab initio (MP2/6-31G**//MP2/3-21G) calculations yield a value of about 729 kJ/mole, in agreement with the chemical ionization experiments. The results of these and related calculations suggest that the (MP2/6-31G**//MP2/3-21G) methodology is acceptable for estimating the proton affinities of partially-and fully-fluorinated methyl and ethyl ethers. We submit that any conclusions about the chemistry of fluoroether polymer lubricants based on their basicity can also be predicted reliably with such calculations.

Zehe, Michael J.↗

NASA NTRS1999

GISS Analysis of Surface Temperature Change

We describe the current GISS analysis of surface temperature change for the period 1880-1999 based primarily on meteorological station measurements. The global surface temperature in 1998 was the warmest in the period of instrumental data. The rate of temperature change was higher in the past 25 years than at any previous time in the period of instrumental data. The warmth of 1998 was too large and pervasive to be fully accounted for by the recent El Nino. Despite cooling in the first half of 1999, we suggest that the mean global temperature, averaged over 2-3 years, has moved to a higher level, analogous to the increase that occurred in the late 1970s. Warming in the United States over the past 50 years has been smaller than in most of the world, and over that period there was a slight cooling trend in the Eastern United States and the neighboring Atlantic Ocean. The spatial and temporal patterns of the temperature change suggest that more than one mechanism was involved in this regional cooling. The cooling trend in the United States, which began after the 1930s and is associated with ocean temperature change patterns, began to reverse after 1979. We suggest that further warming in the United States to a level rivaling the 1930s is likely in the next decade, but reliable prediction requires better understanding of decadal oscillations of ocean temperature.

Hansen, J.↗

NASA NTRS1999

Model Experiments and Model Descriptions

The Second Workshop on Stratospheric Models and Measurements Workshop (M&M II) is the continuation of the effort previously started in the first Workshop (M&M I, Prather and Remsberg [1993]) held in 1992. As originally stated, the aim of M&M is to provide a foundation for establishing the credibility of stratospheric models used in environmental assessments of the ozone response to chlorofluorocarbons, aircraft emissions, and other climate-chemistry interactions. To accomplish this, a set of measurements of the present day atmosphere was selected. The intent was that successful simulations of the set of measurements should become the prerequisite for the acceptance of these models as having a reliable prediction for future ozone behavior. This section is divided into two: model experiment and model descriptions. In the model experiment, participant were given the charge to design a number of experiments that would use observations to test whether models are using the correct mechanisms to simulate the distributions of ozone and other trace gases in the atmosphere. The purpose is closely tied to the needs to reduce the uncertainties in the model predicted responses of stratospheric ozone to perturbations. The specifications for the experiments were sent out to the modeling community in June 1997. Twenty eight modeling groups responded to the requests for input. The first part of this section discusses the different modeling group, along with the experiments performed. Part two of this section, gives brief descriptions of each model as provided by the individual modeling groups.

Jackman, Charles H.↗

NASA NTRS2000

Numerical Simulation of Receptivity for a Transition Experiment

The cost of fuel to overcome turbulence induced viscous drag on a commercial airplane constitutes a significant fraction of the operating cost of an airline. Achieving laminar flow and maintaining it over a large portion of the wing can significantly reduce the viscous drag, and hence the cost. Design of such laminar-flow-control wings and their practical operation requires the ability to accurately and reliably predict the transition from laminar to turbulent flow. The transition process begins with the conversion of environmental and surface disturbances into the instability waves of the flow by a process called receptivity. The goal of the current research project has been to improve the prediction of transition through a better understanding of the physics of receptivity. The initial objective of this work was to investigate the specific stability and receptivity characteristics of a particular experimental investigation of boundary layer receptivity at NASA Langley. Some simulation results using direct solutions of the linearized Navier-Stokes equations which modeled this experiment where presented in the 1999 APS DFD meeting. However, based on these initial investigations, it became clear that to cover the vast receptivity parameter space required for a practical transition prediction tool, more efficient methods would be required. Thus, the focus of this research was shifted from modeling this particular experiment to formulating and developing new techniques that could efficiently yet accurately predict receptivity for a wide range of disturbance conditions.

Collis, S. Scott↗

NASA NTRS2000

Global Warming in the 21st Century: An Alternate Scenario

Evidence on a broad range of time scales, from Proterozoic to the most recent periods, shows that the Earth's climate responds sensitively to global forcings. In the past few decades the Earth's surface has warmed rapidly, apparently in response to increasing anthropogenic greenhouse gases in the atmosphere. The conventional view is that the current global warming rate will continue or accelerate in the 21st century. I will describe an alternate scenario that would slow the rate of global warming and reduce the danger of dramatic climate change. But reliable prediction of future climate change requires improved knowledge of the carbon cycle and global observations that allow interpretation of ongoing climate change.

Hansen, James E.↗

NASA NTRS2000

Structures and Materials Experimental Facilities and Capabilities Catalog

The NASA Center of Excellent for Structures and Materials at Langley Research Center is responsible for conducting research and developing useable technology in the areas of advanced materials and processing technologies, durability, damage tolerance, structural concepts, advanced sensors, intelligent systems, aircraft ground operations, reliability, prediction tools, performance validation, aeroelastic response, and structural dynamics behavior for aerospace vehicles. Supporting the research activities is a complementary set of facilities and capabilities documented in this report. Because of the volume of information, the information collected was restricted in most cases to one page. Specific questions from potential customers or partners should be directed to the points of contacts provided with the various capabilities. Grouping of the equipment is by location as opposed to function. Geographical information of the various buildings housing the equipment is also provided. Since this is the first time that such an inventory is ever collected at Langley it is by no means complete. It is estimated that over 90 percent of the equipment capabilities at hand are included but equipment is continuously being updated and will be reported in the future.

Horta, Lucas G.↗

NASA NTRS2000

Sigmoid CME Source Regions at the Sun: Some Recent Results

Identifying Coronal Mass Ejection (CME) precursors in the solar corona would be an important step in space weather forecasting, as well as a vital key to understanding the physics of CMEs. Twisted magnetic field structures are suspected of being the source of at least some CMEs. These features can appear sigmoid (S or inverse-S) shaped in soft X-ray (SXR) images. We review recent observations of these structures and their relation to CMEs, using soft X-ray (SXR) data from the Soft X-ray Telescope (SXT) on the Yohkoh satellite, and EUV data from the EUV Imaging Telescope (EIT) on the SOHO satellite. These observations indicate that the pre-eruption sigmoid patterns are more prominent in SXRs than in EUV, and that sigmoid precursors are present in over 50% of CMEs. These findings are important for CME research, and may potentially be a major component to space weather forecasting. So far, however, the studies have been subject to restrictions that will have to be relaxed before sigmoid morphology can be used as a reliable predictive tool. Moreover, some CMEs do not display a SXR sigmoid structure prior to eruption, and some others show no prominent SXR signature of any kind before or during eruption.

Sterling, Alphonse C.↗

NASA NTRS2000

Sigmoid CME Source Regions at The Sun: Some Recent Results

Identifying coronal mass ejection (CME) precursors in the solar corona would be an important step in space weather forecasting, as well as a vital key to understanding the physics of CMEs. Twisted magnetic field structures are suspected of being the source of at least some CMEs. These features can appear sigmoid (S or inverse-S) shaped in soft X-ray, (SXR) images. We review recent observations of these structures and their relation to CMEs. using SXR data from the Soft X-ray Telescope (SXT) on the Yohkoh satellite, and EUV data from the EUV Imaging Telescope (EIT) on the SOHO satellite. These observations indicate that the pre-eruption sigmoid patterns are more prominent in SXRs than in EUV, and that sigmoid precursors are present in over 50% of CMEs. These findings are important for CME research, and may potentially be a major component to space weather forecasting. So far, however, the studies have been subject to restrictions that will have to be relaxed before sigmoid morphology can be used as a reliable predictive too[. Moreover, some CMEs do not display a SXR sigmoid structure prior to eruption, and some others show no prominent SXR signature of any kind before or during eruption.

Sterling, Alphonse C.↗

NASA NTRS2002

Reliable Real-Time Solution of Parametrized Partial Differential Equations: Reduced-Basis Output Bound Methods

We present a technique for the rapid and reliable prediction of linear-functional outputs of elliptic (and parabolic) partial differential equations with affine parameter dependence. The essential components are (i) (provably) rapidly convergent global reduced basis approximations, Galerkin projection onto a space W(sub N) spanned by solutions of the governing partial differential equation at N selected points in parameter space; (ii) a posteriori error estimation, relaxations of the error-residual equation that provide inexpensive yet sharp and rigorous bounds for the error in the outputs of interest; and (iii) off-line/on-line computational procedures, methods which decouple the generation and projection stages of the approximation process. The operation count for the on-line stage, in which, given a new parameter value, we calculate the output of interest and associated error bound, depends only on N (typically very small) and the parametric complexity of the problem; the method is thus ideally suited for the repeated and rapid evaluations required in the context of parameter estimation, design, optimization, and real-time control.

Prudhomme, C.↗

NASA NTRS2002

Generalized Reliability Methodology Applied to Brittle Anisotropic Single Crystals

A generalized reliability model was developed for use in the design of structural components made from brittle, homogeneous anisotropic materials such as single crystals. The model is based on the Weibull distribution and incorporates a variable strength distribution and any equivalent stress failure criteria. In addition to the reliability model, an energy based failure criterion for elastically anisotropic materials was formulated. The model is different from typical Weibull-based models in that it accounts for strength anisotropy arising from fracture toughness anisotropy and thereby allows for strength and reliability predictions of brittle, anisotropic single crystals subjected to multiaxial stresses. The model is also applicable to elastically isotropic materials exhibiting strength anisotropy due to an anisotropic distribution of flaws. In order to develop and experimentally verify the model, the uniaxial and biaxial strengths of a single crystal nickel aluminide were measured. The uniaxial strengths of the <100> and <110> crystal directions were measured in three and four-point flexure. The biaxial strength was measured by subjecting <100> plates to a uniform pressure in a test apparatus that was developed and experimentally verified. The biaxial strengths of the single crystal plates were estimated by extending and verifying the displacement solution for a circular, anisotropic plate to the case of a variable radius and thickness. The best correlation between the experimental strength data and the model predictions occurred when an anisotropic stress analysis was combined with the normal stress criterion and the strength parameters associated with the <110> crystal direction.

Salem, Jonathan A.↗

NASA NTRS2002

Advanced Self-Calibrating, Self-Repairing Data Acquisition System

An improved self-calibrating and self-repairing Data Acquisition System (DAS) for use in inaccessible areas, such as onboard spacecraft, and capable of autonomously performing required system health checks, failure detection. When required, self-repair is implemented utilizing a "spare parts/tool box" system. The available number of spare components primarily depends upon each component's predicted reliability which may be determined using Mean Time Between Failures (MTBF) analysis. Failing or degrading components are electronically removed and disabled to reduce power consumption, before being electronically replaced with spare components.

Pedro J Medelius↗

NASA NTRS2002

Molten-Metal Droplet Deposition on a Moving Substrate in Microgravity: Aiding the Development of Novel Technologies for Microelectronic Assembly

Driven by advancements in microelectronics manufacturing, this research investigates the oblique (non-axisymmetric) impact of liquid-metal droplets on flat substrates. The problem of interest is relevant to the development of the novel technology of on-demand dispension (printing) of microscopic solder deposits for the surface mounting of microelectronic devices. The technology, known as solder jetting, features on-demand deposition of miniature solder droplets (30 to 120 microns in diameter) in very fine, very accurate patterns using techniques analogous to those developed for the ink-jet printing industry. Despite its promise, severe limitations exist currently with regards to the throughput rates of the technology; some of these limitations are largely due to the lack of the capability for reliable prediction of solder bump positioning and shapes, especially under ballistic deposition conditions where the droplet impact phenomena are inherently three-dimensional. The study consists of a theoretical and an experimental component. The theoretical work uses a finite element formulation to simulate numerically the non-axisymmetric (3-D) fluid mechanics and heat transfer phenomena of a liquid solder droplet impacting at an angle alpha on a flat substrate. The work focuses on the pre-solidification regime. The modeling of the most challenging fluid mechanics part of the process has been completed successfully. It is based upon the full laminar Navier-Stokes equations employing a Lagrangian frame of reference. Due to the large droplet deformation, the surface (skin) as well as the volumetric mesh have to be regenerated during the calculations in order to maintain the high accuracy of the numerical scheme. The pressure and velocity fields are then interpolated on the newly created mesh. The numerical predictions are being tested against experiments, for cases where wetting phenomena are not important. For the impact parameters used in the example shown (We = 2.38, Fr = 16300, Re = 157), the droplet rolls along the substrate, but its shape remains practically axisymmetric for all impact angles within the range from 0 to 60 deg. Interestingly, the substrate/droplet contact area during the recoiling phase of the impact is not a monotonically decreasing function of time. The experimental component of the research tests the numerical predictions and provides necessary input data (contact angles) for the theoretical model. The experiments are performed in microgravity (2.2s drop tower of the NASA GRC) in order to allow for the use of mm-size solder droplets, which make feasible the performance of accurate measurements, while maintaining similitude of the relevant fluid dynamic groups (Re, Fr, We, Ste). Preliminary oblique impact experiments have been performed using water droplets in normal gravity.

Megaridis, C. M.↗

NASA NTRS2003

Modeling of Unsteady Three-dimensional Flows in Multistage Machines

Despite many years of development, the accurate and reliable prediction of unsteady aerodynamic forces acting on turbomachinery blades remains less than satisfactory, especially when viewed next to the great success investigators have had in predicting steady flows. Hall and Silkowski (1997) have proposed that one of the main reasons for the discrepancy between theory and experiment and/or industrial experience is that many of the current unsteady aerodynamic theories model a single blade row in an infinitely long duct, ignoring potentially important multistage effects. However, unsteady flows are made up of acoustic, vortical, and entropic waves. These waves provide a mechanism for the rotors and stators of multistage machines to communicate with one another. In other words, wave behavior makes unsteady flows fundamentally a multistage (and three-dimensional) phenomenon. In this research program, we have has as goals (1) the development of computationally efficient computer models of the unsteady aerodynamic response of blade rows embedded in a multistage machine (these models will ultimately be capable of analyzing three-dimensional viscous transonic flows), and (2) the use of these computer codes to study a number of important multistage phenomena.

Hall, Kenneth C.↗

NASA NTRS2002

Toward a Comprehensive Carbon Budget for North America: Potential Applications of Adjoint Methods with Diverse Datasets

A detailed mechanistic understanding of the sources and sinks of CO2 will be required to reliably predict future COS levels and climate. A commonly used technique for deriving information about CO2 exchange with surface reservoirs is to solve an "inverse problem," where CO2 observations are used with an atmospheric transport model to find the optimal distribution of sources and sinks. Synthesis inversion methods are powerful tools for addressing this question, but the results are disturbingly sensitive to the details of the calculation. Studies done using different atmospheric transport models and combinations of surface station data have produced substantially different distributions of surface fluxes. Adjoint methods are now being developed that will more effectively incorporate diverse datasets in estimates of surface fluxes of CO2. In an adjoint framework, it will be possible to combine CO2 concentration data from long-term surface monitoring stations with data from intensive field campaigns and with proposed future satellite observations. A major advantage of the adjoint approach is that meteorological and surface data, as well as data for other atmospheric constituents and pollutants can be efficiently included in addition to observations of CO2 mixing ratios. This presentation will provide an overview of potentially useful datasets for carbon cycle research in general with an emphasis on planning for the North American Carbon Project. Areas of overlap with ongoing and proposed work on air quality/air pollution issues will be highlighted.

Andrews, A.↗

NASA NTRS2003

Material Properties Analysis of Structural Members in Pumpkin Balloons

The efficient design, service-life qualification, and reliability predictions for lightweight aerospace structures require careful mechanical properties analysis of candidate structural materials. The demand for high-quality laboratory data is particularly acute when the candidate material or the structural design has little history. The pumpkin-shaped super-pressure balloon presents both challenges. Its design utilizes load members (tendons) extending from apex to base around the gas envelope to achieve a lightweight structure. The candidate tendon material is highly weight-efficient braided HM cord. Previous mechanical properties studies of Zylon have focused on fiber and yarn, and industrial use of the material in tensile applications is limited. For high-performance polymers, a carefully plamed and executed properties analysis scheme is required to ensure the data are relevant to the desired application. Because no directly-applicable testing standard was available, a protocol was developed based on guidelines fiom professional and industry organizations. Due to the liquid-crystalline nature of the polymer, the cord is very stiff, creeps very little, and does not yield. Therefore, the key material property for this application is the breaking strength. The pretension load and gauge length were found to have negligible effect on the measured breaking strength over the ranges investigated. Strain rate was found to have no effect on breaking strength, within the range of rates suggested by the standards organizations. However, at the lower rate more similar to ULDB operations, the strength was reduced. The breaking strength increased when the experiment temperature was decreased from ambient to 183K which is the lowest temperature ULDB is expected to experience. The measured strength under all test conditions was well below that resulting from direct scale-up of fiber strength based on the manufacturers data. This expected result is due to the effects of the braiding process and material ageing.

Sterling, W. J.↗

NASA NTRS2004

Vibrational Spectroscopy of Ions and Radicals Present in the Interstellar Medium and in Planetary Atmospheres: A Theoretical Study

Anharmonic vibrational frequencies and intensities are calculated for OH(H2O)n and H(H2O)n radicals (that form on icy particles of the interstellar medium), HCO radical (the main intermediate in the synthesis of organic molecules in space), NH2(-) and C2H(-) anions, H5(+) cation, and other systems relevant to interstellar chemistry. In addition to pure ions and radicals, their complexes with water are studied to assess the effects of water environment on infrared spectra. The calculations are performed using the correlation-corrected vibrational self-consistent field (CC-VSCF) method with ab initio potential surfaces at the MP2 and CCSD(T) levels. Fundamental, overtone, and combination excitations are computed. The results are in good agreement with available experimental data and provide reliable predictions for vibrational excitations not yet measured in laboratory experiments. The data should be useful for interpretation of astronomically observed spectra and identification of ions and radicals present in the interstellar medium and in planetary atmospheres.

Chaban, Galina M.↗

NASA NTRS2004

An Adjoint-Based Analysis of the Sampling Footprints of Tall Tower, Aircraft and Potential Future Lidar Observations of CO2

A detailed mechanistic understanding of the sources and sinks of CO2 will be required to reliably predict future CO2 levels and climate. A commonly used technique for deriving information about CO2 exchange with surface reservoirs is to solve an 'inverse problem', where CO2 observations are used with an atmospheric transport model to find the optimal distribution of sources and sinks. Synthesis inversion methods are powerful tools for addressing this question, but the results are disturbingly sensitive to the details of the calculation. Studies done using different atmospheric transport models and combinations of surface station data have produced substantially different distributions of surface fluxes. Adjoint methods are now being developed that will more effectively incorporate diverse datasets in estimates of surface fluxes of CO2. In an adjoint framework, it will be possible to combine CO2 concentration data from longterm surface and aircraft monitoring stations with data from intensive field campaigns and with proposed future satellite observations. We have recently developed an adjoint for the GSFC 3-D Parameterized Chemistry and Transport Model (PCTM). Here, we will present results from a PCTM Adjoint study comparing the sampling footprints of tall tower, aircraft and potential future lidar observations of CO2. The vertical resolution and extent of the profiles and the observation frequency will be considered for several sites in North America.

Andrews, Arlyn↗

NASA NTRS2004

NASA Experimental Program to Stimulate Competitive Research: South Carolina

The use of an appropriate relationship model is critical for reliable prediction of future urban growth. Identification of proper variables and mathematic functions and determination of the weights or coefficients are the key tasks for building such a model. Although the conventional logistic regression model is appropriate for handing land use problems, it appears insufficient to address the issue of interdependency of the predictor variables. This study used an alternative approach to simulation and modeling urban growth using artificial neural networks. It developed an operational neural network model trained using a robust backpropagation method. The model was applied in the Myrtle Beach region of South Carolina, and tested with both global datasets and areal datasets to examine the strength of both regional models and areal models. The results indicate that the neural network model not only has many theoretic advantages over other conventional mathematic models in representing the complex urban systems, but also is practically superior to the logistic model in its capability to predict urban growth with better - accuracy and less variation. The neural network model is particularly effective in terms of successfully identifying urban patterns in the rural areas where the logistic model often falls short. It was also found from the area-based tests that there are significant intra-regional differentiations in urban growth with different rules and rates. This suggests that the global modeling approach, or one model for the entire region, may not be adequate for simulation of a urban growth at the regional scale. Future research should develop methods for identification and subdivision of these areas and use a set of area-based models to address the issues of multi-centered, intra- regionally differentiated urban growth.

Sutton, Michael A.↗