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DOE OSTI2022

End-to-End Optimization for Battery Materials and Molecules by Combining Graph Neural Networks and Reinforcement Learning

The National Renewable Energy Laboratory (NREL), together with the Colorado School of Mines (CSM) and Colorado State University (CSU), has developed a machine learning-enhanced approach to the design of new battery materials. Currently, such materials are designed in part via numerous expensive high-fidelity computational simulations that predict the performance of a given composition. Even with computational screening tools, the vast landscape of possible molecular or crystal structures exceeds current and future computational capacity. Improving the efficiency by which new materials can be optimized will therefore disrupt the cost, risk, and time required to bring new energy solutions to the marketplace. Predicting the properties of an organic molecule or periodic crystalline material given its structure has grown increasingly common. These approaches leverage large-scale computational and experimental databases and ML approaches such as graph neural networks. The inverse design problem of finding a material that possesses desired properties is substantially more challenging, since enumerating all valid material structures is not feasible. In this project, we leveraged recent success in reinforcement learning to efficiently navigate this high-dimensional search space. Just as algorithms can find the optimal chess moves from nearly limitless options, we train an approach to evolve a simple starting structure into a complex structure that possess the desired properties. Our solution has been demonstrated by applying it to two related design application tasks for short- and long-term energy storage, respectively: (1) the design of solid-state ion conductors and (2) the design of organic redox-active materials. The project has resulted an open-source software library for material design, documented examples of applying the library to both organic and inorganic material optimization, and peer-reviewed publications detailing the data, computational models, and resulting candidate materials.

25 ENERGY STORAGE↗

NASA NTRS1990

ECLSS Integration Analysis: Advanced ECLSS Subsystem and Instrumentation Technology Study for the Space Exploration Initiative

In his July 1989 space policy speech, President Bush proposed a long range continuing commitment to space exploration and development. Included in his goals were the establishment of permanent lunar and Mars habitats and the development of extended duration space transportation. In both cases, a major issue is the availability of qualified sensor technologies for use in real-time monitoring and control of integrated physical/chemical/biological (p/c/b) Environmental Control and Life Support Systems (ECLSS). The purpose of this study is to determine the most promising instrumentation technologies for future ECLSS applications. The study approach is as follows: 1. Precursor ECLSS Subsystem Technology Trade Study - A database of existing and advanced Atmosphere Revitalization (AR) and Water Recovery and Management (WRM) ECLSS subsystem technologies was created. A trade study was performed to recommend AR and WRM subsystem technologies for future lunar and Mars mission scenarios. The purpose of this trade study was to begin defining future ECLSS instrumentation requirements as a precursor to determining the instrumentation technologies that will be applicable to future ECLS systems. 2. Instrumentation Survey - An instrumentation database of Chemical, Microbial, Conductivity, Humidity, Flowrate, Pressure, and Temperature sensors was created. Each page of the sensor database report contains information for one type of sensor, including a description of the operating principles, specifications, and the reference(s) from which the information was obtained. This section includes a cursory look at the history of instrumentation on U.S. spacecraft. 3. Results and Recommendations - Instrumentation technologies were recommended for further research and optimization based on a consideration of both of the above sections. A sensor or monitor technology was recommended based on its applicability to future ECLS systems, as defined by the ECLSS Trade Study (1), and on whether its characteristics were considered favorable relative to similar instrumentation technologies (competitors), as determined from the Instrumentation Survey (2). The instrumentation technologies recommended by this study show considerable potential for development and promise significant returns if research efforts are invested.

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NASA NTRS2012

Development of Non-Optimum Factors for Launch Vehicle Propellant Tank Bulkhead Weight Estimation

Non-optimum factors are used during aerospace conceptual and preliminary design to account for the increased weights of as-built structures due to future manufacturing and design details. Use of higher-fidelity non-optimum factors in these early stages of vehicle design can result in more accurate predictions of a concept s actual weights and performance. To help achieve this objective, non-optimum factors are calculated for the aluminum-alloy gores that compose the ogive and ellipsoidal bulkheads of the Space Shuttle Super-Lightweight Tank propellant tanks. Minimum values for actual gore skin thicknesses and weld land dimensions are extracted from selected production drawings, and are used to predict reference gore weights. These actual skin thicknesses are also compared to skin thicknesses predicted using classical structural mechanics and tank proof-test pressures. Both coarse and refined weights models are developed for the gores. The coarse model is based on the proof pressure-sized skin thicknesses, and the refined model uses the actual gore skin thicknesses and design detail dimensions. To determine the gore non-optimum factors, these reference weights are then compared to flight hardware weights reported in a mass properties database. When manufacturing tolerance weight estimates are taken into account, the gore non-optimum factors computed using the coarse weights model range from 1.28 to 2.76, with an average non-optimum factor of 1.90. Application of the refined weights model yields non-optimum factors between 1.00 and 1.50, with an average non-optimum factor of 1.14. To demonstrate their use, these calculated non-optimum factors are used to predict heavier, more realistic gore weights for a proposed heavy-lift launch vehicle s propellant tank bulkheads. These results indicate that relatively simple models can be developed to better estimate the actual weights of large structures for future launch vehicles.

Wu, K. Chauncey↗

NASA NTRS2019

Decomposition of Electron Ionization Mass Spectra for Space Application Using a Monte-Carlo approach

Rationale: Quadrupole mass spectrometers equipped with an electron ionization (EI) sources have been widely used in space exploration to investigate the composition of planetary surfaces and atmospheres. However, the complexity of the samples and the minimal calibration for the fragmentation of molecules in the ionization chambers have prevented the deconvolution of the majority of the mass spectra obtained at different targets, thus limiting the determination of the exact composition of the samples analyzed. We propose a Monte‐Carlo approach to solve this issue mathematically. Methods: We decomposed simulated mass spectra of mixtures acquired with unit resolving power mass spectrometers and EI sources into the sum of the single components fragmentation patterns weighted by their relative concentration using interior‐point least‐square fitting. To fit compounds with poorly known fragmentation patterns, we used a Monte‐Carlo method to vary the intensity of individual fragment ions. We then decomposed the spectrum thousands of times to obtain a statistical distribution. Results: By performing the deconvolution on a mixture of seven different molecules with interfering fragmentation patterns (H2O, O2, CH4, Ar, N2, C2H4, and C2H6) we show that this approach retrieves the mixing ratio of the individual components more accurately than regular mass spectra decomposition methods that rely on fragmentation patterns from general databases. It also provides the probability density function for each species's mixing ratio. Conclusions: By removing the solution degeneracy in the decomposition of mass spectra, the method described herein could significantly increase the scientific retrieval from archived space flight mass spectrometry data, where calibration of the ionization source is no longer an option.

Thomas Gautier↗

NASA NTRS2006

THz Spectroscopy and Spectroscopic Database for Astrophysics

Molecule specific astronomical observations rely on precisely determined laboratory molecular data for interpretation. The Herschel Heterodyne Instrument for Far Infrared, a suite of SOFIA instruments, and ALMA are each well placed to expose the limitations of available molecular physics data and spectral line catalogs. Herschel and SOFIA will observe in high spectral resolution over the entire far infrared range. Accurate data to previously unimagined frequencies including infrared ro-vibrational and ro-torsional bands will be required for interpretation of the observations. Planned ALMA observations with a very small beam will reveal weaker emission features requiring accurate knowledge of higher quantum numbers and additional vibrational states. Historically, laboratory spectroscopy has been at the front of submillimeter technology development, but now astronomical receivers have an enormous capability advantage. Additionally, rotational spectroscopy is a relatively mature field attracting little interest from students and funding agencies. Molecular data base maintenance is tedious and difficult to justify as research. This severely limits funding opportunities even though data bases require the same level of expertise as research. We report the application of some relatively new receiver technology into a simple solid state THz spectrometer that has the performance required to collect the laboratory data required by astronomical observations. Further detail on the lack of preparation for upcoming missions by the JPL spectral line catalog is given.

Pearson, John C.↗

DOE OSTI2022

H-2-SALT: Storing Fossil Energy as Hydrogen in Salt Caverns

Hydrogen storage in subsurface caverns is known as perhaps largest and longest-term energy storage system. While few such systems are currently in service (e.g., Texas; Teesside, UK), they are envisioned as being a pillar of the current energy transition that will allow intermittent power production from renewable sources (e.g., wind, solar) to be balanced with demand at grid-scale. In addition, hydrogen energy storage can allow existing fossil power plants to run more economically either by minimizing startups/shutdowns or by allowing them to take advantage of arbitrage. Finally, stored hydrogen can feed a variety of non-power users such as pipeline gas, heating, transportation, and manufacturing. The H-2-SALT paper study assessed the feasibility of a power-to-hydrogen system utilizing salt cavern storage of hydrogen in bedded salt in central Kansas, where over 750 such caverns have been constructed to date, of which approximately 350 are still in service. Legacy well and salt cavern data were collected to develop a regional geological database for two sites in Central Kansas and adjacent areas for use in more detailed geological and geomechanical site characterization efforts. This study found commercial viability and competitiveness of large-scale, electrolytic H 2 production and storage ($1.78 per kg H 2 ) that can be used for both electrical power supply to the grid during high-priced electricity periods (including co-firing with NG and fuel cell power production) and sale of H 2 for various industries, such as petrochemicals or transportation. The commercial potential of the H-2-SALT system is also relatively high because each of its components operate commercially today. It is recommended that a stratigraphic test well be drilled to collect log data and core samples that can reduce uncertainty surrounding geological and geomechanical properties of the salt beds that will be required for further cavern and energy storage system design studies.

03 NATURAL GAS↗

DOE OSTI2021

Development of an inexpensive matrix-assisted laser desorption—time of flight mass spectrometry method for the identification of endophytes and rhizobacteria cultured from the microbiome associated with maize

Many endophytes and rhizobacteria associated with plants support the growth and health of their hosts. The vast majority of these potentially beneficial bacteria have yet to be characterized, in part because of the cost of identifying bacterial isolates. Matrix-assisted laser desorption-time of flight (MALDI-TOF) has enabled culturomic studies of host-associated microbiomes but analysis of mass spectra generated from plant-associated bacteria requires optimization. In this study, we aligned mass spectra generated from endophytes and rhizobacteria isolated from heritage and sweet varieties of Zea mays. Multiple iterations of alignment attempts identified a set of parameters that sorted 114 isolates into 60 coherent MALDI-TOF taxonomic units (MTUs). These MTUs corresponded to strains with practically identical (>99%) 16S rRNA gene sequences. Mass spectra were used to train a machine learning algorithm that classified 100% of the isolates into 60 MTUs. These MTUs provided >70% coverage of aerobic, heterotrophic bacteria readily cultured with nutrient rich media from the maize microbiome and allowed prediction of the total diversity recoverable with that particular cultivation method. Acidovorax sp., Pseudomonas sp. and Cellulosimicrobium sp. dominated the library generated from the rhizoplane. Relative to the sweet variety, the heritage variety contained a high number of MTUs. The ability to detect these differences in libraries, suggests a rapid and inexpensive method of describing the diversity of bacteria cultured from the endosphere and rhizosphere of maize.

dereplication↗

NASA NTRS1983

Constraints on gamma-ray bursters from soft X-ray transients

The Columbia Astrophysics Laboratory's Einstein imaging proportional counter database has been searched for possible X-ray counterparts to gamma ray bursts. The limiting sensitivity was about 10 to the 10th erg/sq cm with a total exposure of about 3 x 10 to the 6th s divided among about 1000 1 deg x 1 deg fields. Four events with a pointlike spatial distribution were detected but their extremely soft spectra makes them unlikely candidates for gamma ray burst counterparts. The results are used to place limits on the X-ray and gamma ray luminosity ratio and log(number)N-log(flux)S relation for gamma ray bursts. The constraints placed on models for their origin are commented on.

Helfand, D. J.↗

NASA NTRS1998

Observations from Long-Term Performance Monitoring of the TOPEX Radar Altimeter

From its August 1992 launch to the present, we have performed performance analysis and engineering assessment for the TOPEX radar altimeter. We continually update databases containing: (1) on-board engineering parameters such as temperatures, voltages, and currents; (2) internal calibration mode indications of bias changes in range and power estimates; and (3) global over-ocean averages of geophysical quantities such as significant waveheight (SWH) and ocean surface radar backscattering cross-section (sigmaO). For some time now we have seen an apparent increase in the TOPEX cycle-average SWH, amounting now to an increase of about 10% from our earlier mission value of about 2.8 m. Recently several investigators have reported that the TOPEX SWH is increasing relative to ERS-2 and to ocean buoy measurements. We examined the past six years of waveform data from an internal calibration mode (Cal 1) which samples the altimeter's point target response (ptr), and found that the ptr sidelobes are apparently greater now than at start of mission. Modeling studies indicate that the sidelobe enhancement can account for most of the increase in the TOPEX SWH estimate; that is, the SWH increase is not real but result of some drift within the altimeter. Our modeling indicates that the TOPEX range estimates will change less than a centimeter for ptr changes seen to date. An approximate recipe for correcting the TOPEX SWH values will be made available on our web site (http://topex.wffnasa.gov/). We emphasize that a radar altimeter is a complex system requiring continuing calibration and monitoring throughout its entire lifetime.

Hayne, G. S.↗

NASA NTRS2004

From Interstellar Polycyclic Aromatic Hydrocarbons and Ice to the Origin of Life

Tremendous strides have been made in our understanding of interstellar material over the past twenty years thanks to significant, parallel developments in observational astronomy and laboratory astrophysics. Twenty years ago the composition of interstellar dust was largely guessed at, the concept of ices in dense molecular clouds ignored, and the notion of large, abundant, gas phase, carbon rich molecules widespread throughout the interstellar medium (ISM) considered impossible. Today the composition of dust in the diffuse ISM is reasonably well constrained to cold refractory materials comprised of amorphous and crystalline silicates mixed with an amorphous carbonaceous material containing aromatic structural units and short, branched aliphatic chains. In the dense ISM, the birthplace of stars and planets, these cold dust particles are coated with mixed molecular ices whose composition is very well constrained. Lastly, the signature of carbon-rich polycyclic aromatic hydrocarbons (PAHs), shockingly large molecules by early interstellar chemistry standards, is widespread throughout the Universe. The first part of this talk will describe how infrared studies of interstellar space, combined with laboratory simulations, have revealed the composition of interstellar ices (the building blocks of comets) and the high abundance and nature of interstellar PAHs. The laboratory database has now enabled us to gain insight into the identities, abundances, and physical state of many interstellar materials. Within a dense molecular cloud, and especially in the presolar nebula, the materials frozen into the interstellar/precometary ices are photoprocessed by ultraviolet light and produce more complex molecules. The remainder of the presentation will focus on the photochemical evolution of these materials and the possible role of these compounds on the to the carbonaceous components of micrometeorites, they are likely to have been important sources of complex materials on the early Earth and their composition may be related to the origin of life.

Allamandola, Louis↗

DOE OSTI2022

Proposed Application for an Entity Component System in an Energy Services Interface

An Entity Component System is a data-oriented architecture originally developed to streamline video game performance. Despite being quite new, Entity Component Systems are relatively well established within the video game industry due to the cutting edge nature of research into performance, especially around graphics. However, Entity Component Systems have not been widely examined or adopted outside of that industry. We propose adopting an Entity Component Systems framework to serve the needs of an Energy Service Interfaces. We examine the needs of an Energy Service Interface, give an overview of open-source Entity Component Systems (ECSs) libraries, examine some preliminary performance results for ECSs, and explore the traditional approach to fulfilling the needs of an Energy Service Interface (ESI) with database architectures.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2021

A comprehensive and synthetic dataset for global, regional, and national greenhouse gas emissions by sector 1970–2018 with an extension to 2019

To track progress towards keeping global warming well below 2 °C or even 1.5 °C, as agreed in the Paris Agreement, comprehensive up-to-date and reliable information on anthropogenic emissions and removals of greenhouse gas (GHG) emissions is required. Here we compile a new synthetic dataset on anthropogenic GHG emissions for 1970–2018 with a fast-track extension to 2019. Our dataset is global in coverage and includes CO 2 emissions, CH 4 emissions, N 2 O emissions, as well as those from fluorinated gases (F-gases: HFCs, PFCs, SF 6 , NF 3 ) and provides country and sector details. We build this dataset from the version 6 release of the Emissions Database for Global Atmospheric Research (EDGAR v6) and three bookkeeping models for CO 2 emissions from land use, land-use change, and forestry (LULUCF). We assess the uncertainties of global greenhouse gases at the 90 % confidence interval (5th–95th percentile range) by combining statistical analysis and comparisons of global emissions inventories and top-down atmospheric measurements with an expert judgement informed by the relevant scientific literature. We identify important data gaps for F-gas emissions. The agreement between our bottom-up inventory estimates and top-down atmospheric-based emissions estimates is relatively close for some F-gas species (~ 10 % or less), but estimates can differ by an order of magnitude or more for others. Our aggregated F-gas estimate is about 10 % lower than top-down estimates in recent years. However, emissions from excluded F-gas species such as chlorofluorocarbons (CFCs) or hydrochlorofluorocarbons (HCFCs) are cumulatively larger than the sum of the reported species. Using global warming potential values with a 100-year time horizon from the Sixth Assessment Report by the Intergovernmental Panel on Climate Change (IPCC), global GHG emissions in 2018 amounted to 58 ± 6.1 GtCO 2 eq. consisting of CO 2 from fossil fuel combustion and industry (FFI) 38 ± 3.0 GtCO 2 , CO 2 -LULUCF 5.7 ± 4.0 GtCO 2 , CH 4 10 ± 3.1 GtCO 2 eq., N2O 2.6 ± 1.6 GtCO 2 eq., and F-gases 1.3 ± 0.40 GtCO 2 eq. Initial estimates suggest further growth of 1.3 GtCO 2 eq. in GHG emissions to reach 59 ± 6.6 GtCO 2 eq. by 2019. Our analysis of global trends in anthropogenic GHG emissions over the past 5 decades (1970–2018) highlights a pattern of varied but sustained emissions growth. There is high confidence that global anthropogenic GHG emissions have increased every decade, and emissions growth has been persistent across the different (groups of) gases. There is also high confidence that global anthropogenic GHG emissions levels were higher in 2009–2018 than in any previous decade and that GHG emissions levels grew throughout the most recent decade. While the average annual GHG emissions growth rate slowed between 2009 and 2018 (1.2 % yr –1 ) compared to 2000–2009 (2.4 % yr –1 ), the absolute increase in average annual GHG emissions by decade was never larger than between 2000–2009 and 2009–2018. Our analysis further reveals that there are no global sectors that show sustained reductions in GHG emissions. There are a number of countries that have reduced GHG emissions over the past decade, but these reductions are comparatively modest and outgrown by much larger emissions growth in some developing countries such as China, India, and Indonesia. There is a need to further develop independent, robust, and timely emissions estimates across all gases. As such, tracking progress in climate policy requires substantial investments in independent GHG emissions accounting and monitoring as well as in national and international statistical infrastructures. The data associated with this article (Minx et al., 2021) can be found at https://doi.org/10.5281/zenodo.5566761.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1995

Low-speed wind-tunnel investigation of the stability and control characteristics of a series of flying wings with sweep angles of 50 deg

A wind-tunnel investigation was conducted in the Langley 12-Foot Low-Speed Tunnel to study the low-speed stability and control characteristics of a series of four flying wings over an extended range of angle of attack (-8 deg to 48 deg). Because of the current emphasis on reducing the radar cross section (RCS) of new military aircraft, the planform of each wing was composed of lines swept at a relatively high angle of 50 deg, and all the trailing-edge lines were aligned with one of the two leading edges. Three arrow planforms with different aspect ratios and one diamond planform were tested. The models incorporated leading-edge flaps for improved longitudinal characteristics and lateral stability and had trailing-edge flaps in three segments that were deflected differentially for roll control, symmetrically for pitch control, and in a split fashion for yaw control. Three top body widths and two sizes of twin vertical tails were also tested on each model. A large aerodynamic database was compiled that could be used to evaluate some of the trade-offs involved in the design of a configuration with a reduced RCS and good flight dynamic characteristics.

Fears, Scott P.↗

NASA NTRS2000

Flap Edge Aeroacoustic Measurements and Predictions

An aeroacoustic model test has been conducted to investigate the mechanisms of sound generation on high-lift wing configurations. This paper presents an analysis of flap side-edge noise, which is often the most dominant source. A model of a main element wing section with a half-span flap was tested at low speeds of up to a Mach number of 0.17, corresponding to a wing chord Reynolds number of approximately 1.7 million. Results are presented for flat (or blunt), flanged, and round flap-edge geometries, with and without boundary-layer tripping, deployed at both moderate and high flap angles. The acoustic database is obtained from a Small Aperture Directional Array (SADA) of microphones, which was constructed to electronically steer to different regions of the model and to obtain farfield noise spectra and directivity from these regions. The basic flap-edge aerodynamics is established by static surface pressure data, as well as by Computational Fluid Dynamics (CFD) calculations and simplified edge flow analyses. Distributions of unsteady pressure sensors over the flap allow the noise source regions to be defined and quantified via cross-spectral diagnostics using the SADA output. It is found that shear layer instability and related pressure scatter is the primary noise mechanism. For the flat edge flap, two noise prediction methods based on unsteady-surface-pressure measurements are evaluated and compared to measured noise. One is a new causality spectral approach developed here. The other is a new application of an edge-noise scatter prediction method. The good comparisons for both approaches suggest that much of the physics is captured by the prediction models. Areas of disagreement appear to reveal when the assumed edge noise mechanism does not fully define, the noise production. For the different edge conditions, extensive spectra and directivity are presented. Significantly, for each edge configuration, the spectra for different flow speeds, flap angles, and surface roughness were successfully scaled by utilizing aerodynamic performance and boundary layer scaling method developed herein.

Brooks, Thomas F.↗

NASA NTRS2000

Flap Edge Aeroacoustic Measurements and Predictions

An aeroacoustic model test has been conducted to investigate the mechanisms of sound generation on high-lift wing configurations. This paper presents an analysis of flap side-edge noise, which is often the most dominant source. A model of a main element wing section with a half-span flap was tested at low speeds of up to a Mach number of 0.17, corresponding to a wing chord Reynolds number of approximately 1.7 million. Results are presented for flat (or blunt), flanged, and round flap-edge geometries, with and without boundary-layer tripping, deployed at both moderate and high flap angles. The acoustic database is obtained from a Small Aperture Directional Array (SADA) of microphones, which was constructed to electronically steer to different regions of the model and to obtain farfield noise spectra and directivity from these regions. The basic flap-edge aerodynamics is established by static surface pressure data, as well as by Computational Fluid Dynamics (CFD) calculations and simplified edge flow analyses. Distributions of unsteady pressure sensors over the flap allow the noise source regions to be defined and quantified via cross-spectral diagnostics using the SADA output. It is found that shear layer instability and related pressure scatter is the primary noise mechanism. For the flat edge flap, two noise prediction methods based on unsteady surface pressure measurements are evaluated and compared to measured noise. One is a new causality spectral approach developed here. The other is a new application of an edge-noise scatter prediction method. The good comparisons for both approaches suggest that much of the physics is captured by the prediction models. Areas of disagreement appear to reveal when the assumed edge noise mechanism does not fully define the noise production. For the different edge conditions, extensive spectra and directivity are presented. Significantly, for each edge configuration, the spectra for different flow speeds, flap angles, and surface roughness were successfully scaled by utilizing aerodynamic performance and boundary layer scaling methods developed herein.

Brooks, Thomas F.↗

NASA NTRS2003

Infrared Spectroscopy of Star Formation in Galactic and Extragalactic Regions

In this program we proposed to perform a series of spectroscopic studies, including data analysis and modeling, of star formation regions using an ensemble of archival space-based data from the Infrared Space Observatory's Long Wavelength Spectrometer and Short Wavelength Spectrometer, and to take advantage of other spectroscopic databases including the first results from SIRTF. Our emphasis has been on star formation in external, bright IR galaxies, but other areas of research have included young, low or high mass pre-main sequence stars in star formation regions, and the galactic center. The OH lines in the far infrared were proposed as one key focus of this inquiry, because the Principal Investigator (H. Smith) had a full set of OH IR lines from IS0 observations. It was planned that during the proposed 2-1/2 year timeframe of the proposal other data (including perhaps from SIRTF) would become available, and we intended to be responsive to these and other such spectroscopic data sets. The program has the following goals: 1) Refine the data analysis of IS0 observations to obtain deeper and better SNR results on selected sources. The IS0 data itself underwent pipeline 10 reductions in early 2001, and the more 'hands-on data reduction packages' have been released. The IS0 Fabry-Perot database is particularly sensitive to noise and can have slight calibration errors, and improvements are anticipated. We plan to build on these deep analysis tools and contribute to their development. Model the atomic and molecular line shapes, in particular the OH lines, using revised montecarlo techniques developed by the Submillimeter Wave Astronomy Satellite (SWAS) team at the Center for Astrophysics. 2) 3) Use newly acquired space-based SIRTF or SOFIA spectroscopic data as they become available, and contribute to these observing programs as appropriate. 4) Attend scientific meetings and workshops. 5) E&PO activities, especially as related to infrared astrophysics and/or spectroscopy.

Smith, Howard A.↗

NASA NTRS2000

A Unified Approach to Model-Based Planning and Execution

Writing autonomous software is complex, requiring the coordination of functionally and technologically diverse software modules. System and mission engineers must rely on specialists familiar with the different software modules to translate requirements into application software. Also, each module often encodes the same requirement in different forms. The results are high costs and reduced reliability due to the difficulty of tracking discrepancies in these encodings. In this paper we describe a unified approach to planning and execution that we believe provides a unified representational and computational framework for an autonomous agent. We identify the four main components whose interplay provides the basis for the agent's autonomous behavior: the domain model, the plan database, the plan running module, and the planner modules. This representational and problem solving approach can be applied at all levels of the architecture of a complex agent, such as Remote Agent. In the rest of the paper we briefly describe the Remote Agent architecture. The new agent architecture proposed here aims at achieving the full Remote Agent functionality. We then give the fundamental ideas behind the new agent architecture and point out some implication of the structure of the architecture, mainly in the area of reactivity and interaction between reactive and deliberative decision making. We conclude with related work and current status.

Muscettola, Nicola↗

NASA NTRS2004

Lunar and Planetary Science XXXV: Viewing the Lunar Interior Through Titanium-Colored Glasses

The session"Viewing the Lunar Interior Through Titanium-Colored Glasses" included the following reports:Consequences of High Crystallinity for the Evolution of the Lunar Magma Ocean: Trapped Plagioclase; Low Abundances of Highly Siderophile Elements in the Lunar Mantle: Evidence for Prolonged Late Accretion; Fast Anorthite Dissolution Rates in Lunar Picritic Melts: Petrologic Implications; Searching the Moon for Aluminous Mare Basalts Using Compositional Remote-Sensing Constraints II: Detailed analysis of ROIs; Origin of Lunar High Titanium Ultramafic Glasses: A Hybridized Source?; Ilmenite Solubility in Lunar Basalts as a Function of Temperature and Pressure: Implications for Petrogenesis; Garnet in the Lunar Mantle: Further Evidence from Volcanic Glasses; Preliminary High Pressure Phase Relations of Apollo 15 Green C Glass: Assessment of the Role of Garnet; Oxygen Fugacity of Mare Basalts and the Lunar Mantle. Application of a New Microscale Oxybarometer Based on the Valence State of Vanadium; A Model for the Origin of the Dark Ring at Orientale Basin; Petrology and Geochemistry of LAP 02 205: A New Low-Ti Mare-Basalt Meteorite; Thorium and Samarium in Lunar Pyroclastic Glasses: Insights into the Composition of the Lunar Mantle and Basaltic Magmatism on the Moon; and Eu2+ and REE3+ Diffusion in Enstatite, Diopside, Anorthite, and a Silicate Melt: A Database for Understanding Kinetic Fractionation of REE in the Lunar Mantle and Crust.

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