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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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NASA NTRS2012

Spinoff 2011

Topics include: Bioreactors Drive Advances in Tissue Engineering; Tooling Techniques Enhance Medical Imaging; Ventilator Technologies Sustain Critically Injured Patients; Protein Innovations Advance Drug Treatments, Skin Care; Mass Analyzers Facilitate Research on Addiction; Frameworks Coordinate Scientific Data Management; Cameras Improve Navigation for Pilots, Drivers; Integrated Design Tools Reduce Risk, Cost; Advisory Systems Save Time, Fuel for Airlines; Modeling Programs Increase Aircraft Design Safety; Fly-by-Wire Systems Enable Safer, More Efficient Flight; Modified Fittings Enhance Industrial Safety; Simulation Tools Model Icing for Aircraft Design; Information Systems Coordinate Emergency Management; Imaging Systems Provide Maps for U.S. Soldiers; High-Pressure Systems Suppress Fires in Seconds; Alloy-Enhanced Fans Maintain Fresh Air in Tunnels; Control Algorithms Charge Batteries Faster; Software Programs Derive Measurements from Photographs; Retrofits Convert Gas Vehicles into Hybrids; NASA Missions Inspire Online Video Games; Monitors Track Vital Signs for Fitness and Safety; Thermal Components Boost Performance of HVAC Systems; World Wind Tools Reveal Environmental Change; Analyzers Measure Greenhouse Gasses, Airborne Pollutants; Remediation Technologies Eliminate Contaminants; Receivers Gather Data for Climate, Weather Prediction; Coating Processes Boost Performance of Solar Cells; Analyzers Provide Water Security in Space and on Earth; Catalyst Substrates Remove Contaminants, Produce Fuel; Rocket Engine Innovations Advance Clean Energy; Technologies Render Views of Earth for Virtual Navigation; Content Platforms Meet Data Storage, Retrieval Needs; Tools Ensure Reliability of Critical Software; Electronic Handbooks Simplify Process Management; Software Innovations Speed Scientific Computing; Controller Chips Preserve Microprocessor Function; Nanotube Production Devices Expand Research Capabilities; Custom Machines Advance Composite Manufacturing; Polyimide Foams Offer Superior Insulation; Beam Steering Devices Reduce Payload Weight; Models Support Energy-Saving Microwave Technologies; Materials Advance Chemical Propulsion Technology; and High-Temperature Coatings Offer Energy Savings.

Source record↗
NASA NTRS2018

Northern Hemisphere Surface Freeze-Thaw Product from Aquarius L-Band Radiometers

In the Northern Hemisphere, seasonal changes in surface freeze–thaw (FT) cycles are an important component of surface energy, hydrological and eco-biogeochemical processes that must be accurately monitored. This paper presents the weekly polar-gridded Aquarius passive L-band surface freeze–thaw product (FT-AP) distributed on the Equal-Area Scalable Earth Grid version 2.0, above the parallel 50 N, with a spatial resolution of 36 km36 km. The FT-AP classification algorithm is based on a seasonal threshold approach using the normalized polarization ratio, references for frozen and thawed conditions and optimized thresholds. To evaluate the uncertainties of the product, we compared it with another satellite FT product also derived from passive microwave observations but at higher frequency: the resampled 37 GHz FT Earth Science Data Record (FTESDR). The assessment was carried out during the overlapping period between 2011 and 2014. Results show that 77.1% of their common grid cells have an agreement better than 80 %. Their differences vary with land cover type (tundra, forest and open land) and freezing and thawing periods. The best agreement is obtained during the thawing transition and over forest areas, with differences between product mean freeze or thaw onsets of under 0.4 weeks. Over tundra, FT-AP tends to detect freeze onset 2–5 weeks earlier than FT-ESDR, likely due to FT sensitivity to the different frequencies used. Analysis with mean surface air temperature time series from six in situ meteorological stations shows that the main discrepancies between FT-AP and FT-ESDR are related to false frozen retrievals in summer for some regions with FT-AP. The Aquarius product is distributed by the U.S. National Snow and Ice Data Center (NSIDC) at https://nsidc.org/data/aq3_ft/versions/5 with the DOI https://doi.org/10.5067/OV4R18NL3BQR.

Prince, Michael↗
NASA NTRS2011

Correcting Attenuation of Reflectivity in Terminal Doppler Weather Radar

This paper documents the implementation of the algorithm for correcting attenuations in the TDWR reflectivity, and examines the impacts of performing the correction algorithm on the accuracy of the resultant precipitation products on the basis of stage IV gauge-radar analyses over six storm events (four warm season events and two cool season events). Three primary findings are summarized below: 1. Correcting for attenuation tends to improve the overall bias, the conditional bias, and the correlation between the TDWR-based rainfall estimates and stage IV values regardless of season and correction schemes. 2. Attenuation correction is overall beneficial to the accuracy of resulting rainfall estimates for the warm season. By contrast, for the cool season, despite potential improvements in the bias and correlation, attenuation correction can be undesirable when there is clear evidence of bright band enhancement arising from low freezing levels. To elaborate, in these situations spurious high precipitation rates over the melting layer can yield elevated values in specific attenuation factor K, which in turn, may lead to an artificially higher reflectivity adjustment at farther range. 3. Ingesting 3-D spatially variable RUC temperature and imposing a temperature threshold in general tend to degrade the accuracy of corrected rainfall estimates for the warm season. For the cool season, in theory they would help avoid applying correction to areas within and above the melting layer. In practice, due to the variable depth of the melting layer below the freezing level, it is difficult to determine the temperature for the lower boundary of the melting layer a priori.

Ding, Feng↗
NASA NTRS2016

Progress Towards AIRS Science Team Version-7 at SRT

The AIRS Science Team Version-6 retrieval algorithm is currently producing level-3 Climate Data Records (CDRs) from AIRS that have been proven useful to scientists in understanding climate processes. CDRs are gridded level-3 products which include all cases passing AIRS Climate QC. SRT has made significant further improvements to AIRS Version-6. At the last Science Team Meeting, we described results using SRT AIRS Version-6.22. SRT Version-6.22 is now an official build at JPL called 6.2.4. Version-6.22 results are significantly improved compared to Version-6, especially with regard to water vapor and ozone profiles. We have adapted AIRS Version-6.22 to run with CrIS/ATMS, at the Sounder SIPS which processed CrIS/ATMS data for August 2014. JPL AIRS Version-6.22 uses the Version-6 AIRS tuning coefficients. AIRS Version-6.22 has at least two limitations which must be improved before finalization of Version-7: Version-6.22 total O3 has spurious high values in the presence of Saharan dust over the ocean; and Version-6.22 retrieved upper stratospheric temperatures are very poor in polar winter. SRT Version-6.28 addresses the first concern. John Blaisdell ran the analog of AIRS Version-6.28 in his own sandbox at JPL for the 14th and 15th of every month in 2014 and all of July and October for 2014. AIRS Version-6.28a is hot off the presses and addresses the second concern.

CrIS↗
NASA NTRSDate not supplied

CyanoSCape: Freshwater Phytoplankton and Floating Aquatic Vegetation Biodiversity

In Southern Africa, the impacts of anthropogenic activities on biodiversity and ecosystem services are exacerbated by the climate crisis. Rapid land use change and the lack of emphasis on environmentally sustainable agricultural practices has hindered hydrological processes and compromised riverine and aquatic ecosystems. This poses obvious risks to natural/indigenous aquatic biodiversity and long-term ecosystem sustainability. Phytoplankton serve as the foundation of the freshwater food web with zooplankton as consumers, which feed fish, invertebrates, and so on up the food chain that comprises the biodiversity of the freshwater system that serves as habitat for biodiversity as well. The diversity of phytoplankton (microscopic organisms) includes photosynthesizing bacteria (cyanobacteria), plant-like diatoms, dinoflagellates, and green algae. Nutrient run-off from agricultural fertilizers and urban overflows, warm temperatures, abundant light availability and compromised hydrological systems provide an ideal environment for cyanobacteria to flourish. Increased prevalence of cyanobacteria, due to both natural and anthropogenic causes, can incur significant effects on the biodiversity of the overall phytoplankton assemblage. These bloom forming algae can significantly outcompete other phytoplankton classes in warmer and eutrophic waters where they are quick to dominate the freshwater system. Eutrophication and toxic cyanobacteria blooms (cyanoHABs) in the inland waters of the Greater Cape Floristic Region (GCFR) incur significant effects on the biodiversity of the overall phytoplankton assemblage and provide a favorable environment forthe overgrowth of floating aquatic vegetation (FAV), which is often invasive and associated with reduced aquatic biodiversity. The algal biodiversity of the GCFR’s freshwater systems is not well characterized. Hyperspectral optical observations are expected to facilitate the improvement of current phytoplankton functional type retrievals significantly, as the sensitivity is sufficient that the distinctive, fine spectral features of different phytoplankton groups can be detected. This will enable testing emerging algorithms and inform the development of new algorithms for use with upcoming hyperspectral satellite missions in this decade. Innovations in optical sensor sensitivity and next generation machine learning capabilities considerably enhance the potential for accurate and rapid detection of phytoplankton, namely the presence, extent, and diversity of cyanobacteria present in cyanoHABs and additionally, invasive FAV. Upcoming hyperspectral satellite missions such as NASA’s Surface Biology and Geology (SBG), Plankton, Aerosol, Cloud, ocean Ecosystem (PACE), and the European Space Agency’s Copernicus Hyperspectral Imaging Mission (CHIME) will provide imagery with unprecedented spectral and spatial resolution which will further enable the discovery of linkages between the seasonality and dynamics of HABs and FAV. The overarching goal of this project is to utilize hyperspectral data, with recently developed and next-generation algorithms, to determine the biodiversity of freshwater systems phytoplankton assemblage with emphasis on genus level distinction, as well as monitor the prevalence and diversity of FAV.

CyanoSCape↗
NASA NTRS2019

An Ensemble of Bayesian Neural Networks for Exoplanetary Atmospheric Retrieval

Machine learning (ML) is now used in many areas of astrophysics, from detecting exoplanets in Kepler transit signals to removing telescope systematics. Recent work demonstrated the potential of using ML algorithms for atmospheric retrieval by implementing a random forest (RF) to perform retrievals in seconds that are consistent with the traditional, computationally expensive nested-sampling retrieval method. We expand upon their approach by presenting a new ML model, plan-net, based on an ensemble of Bayesian neural networks (BNNs) that yields more accurate inferences than the RF for the same data set of synthetic transmission spectra. We demonstrate that an ensemble provides greater accuracy and more robust uncertainties than a single model. In addition to being the first to use BNNs for atmospheric retrieval, we also introduce a new loss function for BNNs that learns correlations between the model outputs. Importantly, we show that designing ML models to explicitly incorporate domain-specific knowledge both improves performance and provides additional insight by inferring the covariance of the retrieved atmospheric parameters. We apply plan-net to the Hubble Space Telescope Wide Field Camera 3 transmission spectrum for WASP-12b and retrieve an isothermal temperature and water abundance consistent with the literature. We highlight that our method is flexible and can be expanded to higher resolution spectra and a larger number of atmospheric parameters.

Adam D. Cobb↗
NASA NTRS2012

Level-1C Product from AIRS: Principal Component Filtering

The Atmospheric Infrared Sounder (AIRS), launched on the EOS Aqua spacecraft on May 4, 2002, is a grating spectrometer with 2378 channels in the range 3.7 to 15.4 microns. In a grating spectrometer each individual radiance measurement is largely independent of all others. Most measurements are extremely accurate and have very low noise levels. However, some channels exhibit high noise levels or other anomalous behavior, complicating applications needing radiances throughout a band, such as cross-calibration with other instruments and regression retrieval algorithms. The AIRS Level-1C product is similar to Level-1B but with instrument artifacts removed. This paper focuses on the "cleaning" portion of Level-1C, which identifies bad radiance values within spectra and produces substitute radiances using redundant information from other channels. The substitution is done in two passes, first with a simple combination of values from neighboring channels, then with principal components. After results of the substitution are shown, differences between principal component reconstructed values and observed radiances are used to investigate detailed noise characteristics and spatial misalignment in other channels.

Noise Equivalent delta Temperature (NEdT)↗
NASA NTRS1995

Solar Thermal Concept Evaluation

Concentrated solar thermal energy can be utilized in a variety of high temperature applications for both terrestrial and space environments. In each application, knowledge of the collector and absorber's heat exchange interaction is required. To understand this coupled mechanism, various concentrator types and geometries, as well as, their relationship to the physical absorber mechanics were investigated. To conduct experimental tests various parts of a 5,000 watt, thermal concentrator, facility were made and evaluated. This was in anticipation at a larger NASA facility proposed for construction. Although much of the work centered on solar thermal propulsion for an upper stage (less than one pound thrust range), the information generated and the facility's capabilities are applicable to material processing, power generation and similar uses. The numerical calculations used to design the laboratory mirror and the procedure for evaluating other solar collectors are presented here. The mirror design is based on a hexagonal faceted system, which uses a spherical approximation to the parabolic surface. The work began with a few two dimensional estimates and continued with a full, three dimensional, numerical algorithm written in FORTRAN code. This was compared to a full geometry, ray trace program, BEAM 4, which optimizes the curvatures, based on purely optical considerations. Founded on numerical results, the characteristics of a faceted concentrator were construed. The numerical methodologies themselves were evaluated and categorized. As a result, the three-dimensional FORTRAN code was the method chosen to construct the mirrors, due to its overall accuracy and superior results to the ray trace program. This information is being used to fabricate and subsequently, laser map the actual mirror surfaces. Evaluation of concentrator mirrors, thermal applications and scaling the results of the 10 foot diameter mirror to a much larger concentrator, were studied. Evaluations, recommendations and pit falls regarding the structure, materials and facility design are presented.

Hawk, Clark W.↗
NASA NTRS2021

Machine Learning the COSMO Model for Predicting Thermodynamics of Electrolyte Mixtures

Bottom-up design of electrolyte mixtures for battery systems requires predicting macro thermodynamic properties from molecular constituents. For instance, molten salt electrolyte batteries require conditions far above room temperature to operate. Therefore, discovering mixtures with increasingly lower eutectic melting points is desirable. A model that can approximate chemical activity is a valuable tool to search through the vast compositional design space. Machine learning can predict properties of materials such as vibrational free energies, electronic energy gaps, and thermal conductivities. Moreover, they can learn physical models such as interatomic potentials. The COSMO-SAC model uses theory and empirical parameterization to predict liquid-vapor and liquid-solid properties using first-principles calculations. However, obtaining activity coefficients required for parameterizing the COSMO-SAC model is costly and limited to a select chemical space. In this work, we explored if machine learning methods could improve the COSMO-SAC model and bridge density functional theory calculations to liquid phase thermodynamic properties. Our data-driven approach uses existing databases for sigma-profiles of organic solvents and reconciles their methodological differences via ensemble averaging. First, an optimal machine learning model is constructed for each dataset. Our machine learning algorithms use the sigma-profile as an input feature to predict binary mixtures' activity coefficients using multi-output regression. Each dataset uses different choices of functionals, methods, and basis sets. Therefore, our ensemble model attempts to predict corrected activity coefficients given the combination of all the model outputs. The activity coefficients used for training are generated using the COSMO-SAC model. This approach enables the extraction of meaningful information from the existing datasets to improve the COSMO-SAC model for obtaining thermodynamic properties of electrolyte mixtures. With the liquid phase activities, we can identify electrolyte mixtures that meet desired phase equilibria conditions.

Thermodynamics↗
NASA NTRS2008

Joint Bayesian Component Separation and CMB Power Spectrum Estimation

We describe and implement an exact, flexible, and computationally efficient algorithm for joint component separation and CMB power spectrum estimation, building on a Gibbs sampling framework. Two essential new features are (1) conditional sampling of foreground spectral parameters and (2) joint sampling of all amplitude-type degrees of freedom (e.g., CMB, foreground pixel amplitudes, and global template amplitudes) given spectral parameters. Given a parametric model of the foreground signals, we estimate efficiently and accurately the exact joint foreground- CMB posterior distribution and, therefore, all marginal distributions such as the CMB power spectrum or foreground spectral index posteriors. The main limitation of the current implementation is the requirement of identical beam responses at all frequencies, which restricts the analysis to the lowest resolution of a given experiment. We outline a future generalization to multiresolution observations. To verify the method, we analyze simple models and compare the results to analytical predictions. We then analyze a realistic simulation with properties similar to the 3 yr WMAP data, downgraded to a common resolution of 3 deg FWHM. The results from the actual 3 yr WMAP temperature analysis are presented in a companion Letter.

numerical↗
NASA NTRS2011

A Case Study of Using a Multilayered Thermodynamical Snow Model for Radiance Assimilation

A microwave radiance assimilation (RA) scheme for the retrieval of snow physical state variables requires a snowpack physical model (SM) coupled to a radiative transfer model. In order to assimilate microwave brightness temperatures (Tbs) at horizontal polarization (h-pol), an SM capable of resolving melt-refreeze crusts is required. To date, it has not been shown whether an RA scheme is tractable with the large number of state variables present in such an SM or whether melt-refreeze crust densities can be estimated. In this paper, an RA scheme is presented using the CROCUS SM which is capable of resolving melt-refreeze crusts. We assimilated both vertical (v) and horizontal (h) Tbs at 18.7 and 36.5 GHz. We found that assimilating Tb at both h-pol and vertical polarization (v-pol) into CROCUS dramatically improved snow depth estimates, with a bias of 1.4 cm compared to-7.3 cm reported by previous studies. Assimilation of both h-pol and v-pol led to more accurate results than assimilation of v-pol alone. The snow water equivalent (SWE) bias of the RA scheme was 0.4 cm, while the bias of the SWE estimated by an empirical retrieval algorithm was -2.9 cm. Characterization of melt-refreeze crusts via an RA scheme is demonstrated here for the first time; the RA scheme correctly identified the location of melt-refreeze crusts observed in situ.

Toure, Ally M.↗
NASA NTRS2017

Atmospheric Instrument Systems and Technology in the Goddard Earth Sciences Division

Studies of the Earth’s atmosphere require a comprehensive set of observations that rely on instruments flown on spacecraft, aircraft, and balloons as well as those deployed on the surface. Within NASA’s Goddard Space Flight Center (GSFC) Earth Sciences Division-Atmospheres, laboratories and offices maintain an active program of instrument system development and observational studies that provide: 1) information leading to a basic understanding of atmospheric processes and their relationships with the Earth’s climate system, 2) prototypes for future flight instruments, 3) instruments to serve as calibration references for satellite missions, and 4) instruments for future field validation campaigns that support ongoing space missions. Our scientists participate in all aspects of instrument activity, including component and system design, calibration techniques, retrieval algorithm development, and data processing systems. The Atmospheres Program has well-equipped labs and test equipment to support the development and testing of instrument systems, such as a radiometric calibration and development facility to support the calibration of ultraviolet and visible (UV/VIS), space-borne solar backscatter instruments. This document summarizes the features and characteristics of 46 instrument systems that currently exist or are under development. The report is organized according to active, passive, or in situ remote sensing across the electromagnetic spectrum. Most of the systems are considered operational in that they have demonstrated performance in the field and are capable of being deployed on relatively short notice. Other systems are under study or of low technical readiness level (TRL). The systems described herein are designed mainly for surface or airborne platforms. However, two Cubesat systems also have been developed through collaborative efforts. The Solar Disk Sextant (SDS) is the single balloon-borne instrument. The lidar systems described herein are designed to retrieve clouds, aerosols, methane, water vapor pressure, temperature, and winds. Most of the lasers operate at some wavelength combination of 355, 532, and 1064 nm. The various systems provide high sensitivity measurements based on returns from backscatter or Raman scattering including intensity and polarization. Measurements of the frequency (Doppler) shift of light scattered from various atmospheric constitutes can also be made. Microwave sensors consist of both active (radar) and passive (radiometer) systems. These systems are important for studying processes involving water in various forms. The dielectric properties of water affect microwave brightness temperatures, which are used to retrieve atmospheric parameters such as rainfall rate and other key elements of the hydrological cycle. Atmosphere radar systems operate in the range from 9.6 GHz to 94 GHz and have measurement accuracies from -5 to 1 dBZ; radiometers operate in the 50 GHz to 874 GHz range with accuracies from 0.5 to 1 degree K; conical and cross-track scan modes are used. Our passive optical sensors, consisting of radiometers and spectrometers, collectively operate from the UV into the infrared. These systems measure energy fluxes and atmospheric parameters such as trace gases, aerosols, cloud properties, or altitude profiles of various species. Imager spatial resolution varies from 37 m to 400 m depending on altitude; spectral resolution is as small as 0.5 nm. Many of the airborne systems have been developed to fly on multiple aircraft.

Platnick, Steven E.↗
NASA NTRSDate not supplied

International Satellite Cloud Climatology Project (ISCCP) Stage DX Pixel Level Cloud Product - Revised Algorithm in Native (NAT) Format (ISCCP_DX_NAT)

Since 1983 an international group of institutions has collected and analyzed satellite radiance measurements from up to five geostationary and two polar orbiting satellites to infer the global distribution of cloud properties and their diurnal, seasonal and interannual variations. The primary focus of the first phase of the project (1983-1995) was the elucidation of the role of clouds in the radiation budget (top of the atmosphere and surface). In the second phase of the project (1995 onwards) the analysis also concerns improving understanding of clouds in the global hydrological cycle. [Location=TROPOSPHERE] [Temporal_Coverage: Start_Date=1983-07-01; Stop_Date=] [Spatial_Coverage: Southernmost_Latitude=-90; Northernmost_Latitude=90; Westernmost_Longitude=-180; Easternmost_Longitude=180] [Data_Resolution: Latitude_Resolution=30 Km; Longitude_Resolution=30 Km; Temporal_Resolution=3 Hourly].

CLOUD ICE↗
NASA NTRS2015

Global Ocean Evaporation: How Well Can We Estimate Interannual to Decadal Variability?

Evaporation from the world's oceans constitutes the largest component of the global water balance. It is important not only as the ultimate source of moisture that is tied to the radiative processes determining Earth's energy balance but also to freshwater availability over land, governing habitability of the planet. Here we focus on variability of ocean evaporation on scales from interannual to decadal by appealing to three sources of data: the new MERRA-2 (Modern-Era Retrospective analysis for Research and Applications -2); climate models run with historical sea-surface temperatures, ice and atmospheric constituents (so-called AMIP experiments); and state-of-the-art satellite retrievals from the Seaflux and HOAPS (Hamburg Ocean-Atmosphere Parameters and Fluxes from Satellite) projects. Each of these sources has distinct advantages as well as drawbacks. MERRA-2, like other reanalyses, synthesizes evaporation estimates consistent with observationally constrained physical and dynamical models-but data stream discontinuities are a major problem for interpreting multi-decadal records. The climate models used in data assimilation can also be run with lesser constraints such as with SSTs and sea-ice (i.e. AMIPs) or with additional, minimal observations of surface pressure and marine observations that have longer and less fragmentary observational records. We use the new ERA-20C reanalysis produced by ECMWF embodying the latter methodology. Still, the model physics biases in climate models and the lack of a predicted surface energy balance are of concern. Satellite retrievals and comparisons to ship-based measurements offer the most observationally-based estimates, but sensor inter-calibration, algorithm retrieval assumptions, and short records are dominant issues. Our strategy depends on maximizing the advantages of these combined records. The primary diagnostic tool used here is an analysis of bulk aerodynamic computations produced by these sources and uses a first-order Taylor series analysis of wind speed, SST, near-surface stability and relative humidity variations around climatology to gauge the importance of these components. We find that the MERRA-2 evaporation record is strongly influenced by the availability of wind speed and humidity from passive microwave imagers beginning in the late 1980s as well as by the SST record. The trend over the period 1980 to present is nearly 10%. AMIP or the ERA-20C trends are much smaller. We find that ENSO-related signals involving both wind speed and thermodynamic variability remain the primary signal in the latter and are confirmed by satellite retrievals. We present uncertainty estimates based on the various data sources and discuss the implications for GEWEX water and energy budget science challenges.

Robertson, Franklin R.↗
NASA NTRS1999

CARES/Life Ceramics Durability Evaluation Software Enhanced for Cyclic Fatigue

The CARES/Life computer program predicts the probability of a monolithic ceramic component's failure as a function of time in service. The program has many features and options for materials evaluation and component design. It couples commercial finite element programs--which resolve a component's temperature and stress distribution--to reliability evaluation and fracture mechanics routines for modeling strength-limiting defects. The capability, flexibility, and uniqueness of CARES/Life have attracted many users representing a broad range of interests and has resulted in numerous awards for technological achievements and technology transfer. Recent work with CARES/Life was directed at enhancing the program s capabilities with regards to cyclic fatigue. Only in the last few years have ceramics been recognized to be susceptible to enhanced degradation from cyclic loading. To account for cyclic loads, researchers at the NASA Lewis Research Center developed a crack growth model that combines the Power Law (time-dependent) and the Walker Law (cycle-dependent) crack growth models. This combined model has the characteristics of Power Law behavior (decreased damage) at high R ratios (minimum load/maximum load) and of Walker law behavior (increased damage) at low R ratios. In addition, a parameter estimation methodology for constant-amplitude, steady-state cyclic fatigue experiments was developed using nonlinear least squares and a modified Levenberg-Marquardt algorithm. This methodology is used to give best estimates of parameter values from cyclic fatigue specimen rupture data (usually tensile or flexure bar specimens) for a relatively small number of specimens. Methodology to account for runout data (unfailed specimens over the duration of the experiment) was also included.

Nemeth, Noel N.↗
NASA NTRS2000

Calculating Free Energies Using Scaled-Force Molecular Dynamics Algorithm

One common objective of molecular simulations in chemistry and biology is to calculate the free energy difference between different states of the system of interest. Examples of problems that have such an objective are calculations of receptor-ligand or protein-drug interactions, associations of molecules in response to hydrophobic, and electrostatic interactions or partition of molecules between immiscible liquids. Another common objective is to describe evolution of the system towards a low energy (possibly the global minimum energy), 'native' state. Perhaps the best example of such a problem is folding of proteins or short RNA molecules. Both types of problems share the same difficulty. Often, different states of the system are separated by high energy barriers, which implies that transitions between these states are rare events. This, in turn, can greatly impede exploration of phase space. In some instances this can lead to 'quasi non-ergodicity', whereby a part of phase space is inaccessible on timescales of the simulation. A host of strategies has been developed to improve efficiency of sampling the phase space. For example, some Monte Carlo techniques involve large steps which move the system between low-energy regions in phase space without the need for sampling the configurations corresponding to energy barriers (J-walking). Most strategies, however, rely on modifying probabilities of sampling low and high-energy regions in phase space such that transitions between states of interest are encouraged. Perhaps the simplest implementation of this strategy is to increase the temperature of the system. This approach was successfully used to identify denaturation pathways in several proteins, but it is clearly not applicable to protein folding. It is also not a successful method for determining free energy differences. Finally, the approach is likely to fail for systems with co-existing phases, such as water-membrane systems, because it may lead to spontaneous mixing. A similar difficulty may be encountered in any method relying on global modifications of phase space.

Darve, Eric↗
NASA NTRS2011

EOS MLS Level 2 Data Processing Software Version 3

This software accepts the EOS MLS calibrated measurements of microwave radiances products and operational meteorological data, and produces a set of estimates of atmospheric temperature and composition. This version has been designed to be as flexible as possible. The software is controlled by a Level 2 Configuration File that controls all aspects of the software: defining the contents of state and measurement vectors, defining the configurations of the various forward models available, reading appropriate a priori spectroscopic and calibration data, performing retrievals, post-processing results, computing diagnostics, and outputting results in appropriate files. In production mode, the software operates in a parallel form, with one instance of the program acting as a master, coordinating the work of multiple slave instances on a cluster of computers, each computing the results for individual chunks of data. In addition, to do conventional retrieval calculations and producing geophysical products, the Level 2 Configuration File can instruct the software to produce files of simulated radiances based on a state vector formed from a set of geophysical product files taken as input. Combining both the retrieval and simulation tasks in a single piece of software makes it far easier to ensure that identical forward model algorithms and parameters are used in both tasks. This also dramatically reduces the complexity of the code maintenance effort.

Livesey, Nathaniel J.↗
NASA NTRS1992

Dynamic interactions between hypersonic vehicle aerodynamics and propulsion system performance

Described here is the development of a flexible simulation model for scramjet hypersonic propulsion systems. The primary goal is determination of sensitivity of the thrust vector and other system parameters to angle of attack changes of the vehicle. Such information is crucial in design and analysis of control system performance for hypersonic vehicles. The code is also intended to be a key element in carrying out dynamic interaction studies involving the influence of vehicle vibrations on propulsion system/control system coupling and flight stability. Simple models are employed to represent the various processes comprising the propulsion system. A method of characteristics (MOC) approach is used to solve the forebody and external nozzle flow fields. This results in a very fast computational algorithm capable of carrying out the vast number of simulation computations needed in guidance, stability, and control studies. The three-dimensional fore- and aft body (nozzle) geometry is characterized by the centerline profiles as represented by a series of coordinate points and body cross-section curvature. The engine module geometry is represented by an adjustable vertical grid to accommodate variations of the field parameters throughout the inlet and combustor. The scramjet inlet is modeled as a two-dimensional supersonic flow containing adjustable sidewall wedges and multiple fuel injection struts. The inlet geometry including the sidewall wedge angles, the number of injection struts, their sweepback relative to the vehicle reference line, and strut cross-section are user selectable. Combustion is currently represented by a Rayleigh line calculation including corrections for variable gas properties; improved models are being developed for this important element of the propulsion flow field. The program generates (1) variation of thrust magnitude and direction with angle of attack, (2) pitching moment and line of action of the thrust vector, (3) pressure and temperature distributions throughout the system, and (4) performance parameters such as thrust coefficient, specific impulse, mass flow rates, and equivalence ratio. Preliminary results are in good agreement with available performance data for systems resembling the NASP vehicle configuration.

Flandro, G. A.↗