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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Effective optimization of atomic decoration in giant and superstructurally ordered crystals with machine learning

Crystals with complicated geometry are often observed with mixed chemical occupancy among Wyckoff sites, presenting a unique challenge for accurate atomic modeling. Similar systems possessing exact occupancy on all the sites can exhibit superstructural ordering, dramatically inflating the unit cell size. In this work, a crystal graph convolutional neural network (CGCNN) is used to predict optimal atomic decorations on fixed crystalline geometries. This is achieved with a site permutation search (SPS) optimization algorithm based on Monte Carlo moves combined with simulated annealing and basin-hopping techniques. Our approach relies on the evidence that, for a given chemical composition, a CGCNN estimates the correct energetic ordering of different atomic decorations, as predicted by electronic structure calculations. This provides a suitable energy landscape that can be optimized according to site occupation, allowing the prediction of chemical decoration in crystals exhibiting mixed or disordered occupancy, or superstructural ordering. Verification of the procedure is carried out on several known compounds, including the superstructurally ordered clathrate compound Rb8Ga27Sb16 and vacancy-ordered perovskite Cs2SnI6, neither of which was previously seen during the neural network training. In addition, the critical temperature of an order–disorder phase transition in solid solution CuZn is probed with our SPS routines by sampling site configuration trajectories in the canonical ensemble. This strategy provides an accurate method for determining favorable decoration in complex crystals and analyzing site occupation at unprecedented speed and scale.

Chemistry↗
DOE OSTI2026

UCB-GLOBES: An open-access mass spectral database of identified and unidentified atmospheric organic compounds

Chemical characterization of atmospheric organic aerosols using gas chromatography with 70 eV electron ionization mass spectrometry (GC/EI-MS) has been used for decades in advancing molecular marker detection and identification, though primarily through suspect screening and/or targeted analyses. To advance non-targeted analyses of environmental samples, we have catalogued approximately 27 000 mass spectra (MS) of the trimethylsilyl derivatives of semi-volatile organic aerosol (OA) analytes in the open-access University of California Berkeley Goldstein Library of Organic Biogenic Environmental Spectra (UCB-GLOBES). Analytes were observed in ambient samples from the U.S. and the Central Amazon and/or laboratory simulations of secondary OA (SOA) formation. These samples are representative of OA under urban and biomass burning influences as well as SOA derived from biogenic precursors (e.g., isoprene, monoterpenes, sesquiterpenes) and biomass burning intermediates. MS are documented in UCB-GLOBES without regard to known chemical identity, annotated with extensive metadata such as sample source/experimental conditions, any structural information gained from MS analyses, and predicted chemical properties such as average carbon oxidation state and carbon number. UCB-GLOBES MS are compatible for importing into the NIST MS Search program, and we have also provided a Jupyter Notebook for MS visualization and comparisons. We demonstrate the utility of UCB-GLOBES through MS reanalyses of prior analytes observed in ambient data, finding a 20 % reduction in the number of analytes assigned to OA source categories reliant solely on time series correlation and an overall 11 % increase in new MS-based OA source categorization for the Southeast U.S. For 1513 analytes observed previously in the Central Amazon, we found 375 MS matches using UCB-GLOBES vs. 136 MS matches during prior analyses, representing a 14 % gain in newly confirmed or newly categorized OA species. While OA from laboratory oxidation experiments in UCB-GLOBES are highly diverse chemically, on average only 29 % of UCB-GLOBES MS have a mass spectral match to another MS entry in UCB-GLOBES and/or in databases of known compounds (i.e. NIST MS Database, Adams Essential Oil, MANE Flavor and Fragrance Company). This indicates that roughly 70 % of UCB-GLOBES MS are unique thus far, not observed more than once among the laboratory oxidation samples and ambient data in UCB-GLOBES MS. Further, only 18 % can be positively identified using these databases or known authentic standards. This points to a large gap between these laboratory simulations and ambient OA. Overall, the UCB-GLOBES database can be utilized for improving confidence in OA source categorization and/or identification, novel chemical marker discovery, tracking chemical diversity, de novo structure and properties prediction, and improving MS search and matching algorithms. This can ultimately inform future research priorities for the chemical characterization of atmospheric organic samples.

Mass spectrometry↗
NASA NTRS1987

Frequency domain synthesis of optimal inputs for adaptive identification and control

The input design problem of selecting appropriate inputs for use in SISO adaptive identification and model reference adaptive control algorithms is considered. Averaging theory is used to characterize the optimal inputs in the frequency domain. The design problem is formulated as an optimization problem which maximizes the smallest eigenvalue of the average information matrix over power constrained signals, and the global optimal solution is obtained using a convergent numerical algorithm. A bound on the frequency search range required in the design algorithm has been determined in terms of the desired performance.

Fu, Li-Chen↗
NASA NTRS1991

AI techniques for a space application scheduling problem

Scheduling is a very complex optimization problem which can be categorized as an NP-complete problem. NP-complete problems are quite diverse, as are the algorithms used in searching for an optimal solution. In most cases, the best solutions that can be derived for these combinatorial explosive problems are near-optimal solutions. Due to the complexity of the scheduling problem, artificial intelligence (AI) can aid in solving these types of problems. Some of the factors are examined which make space application scheduling problems difficult and presents a fairly new AI-based technique called tabu search as applied to a real scheduling application. the specific problem is concerned with scheduling application. The specific problem is concerned with scheduling solar and stellar observations for the SOLar-STellar Irradiance Comparison Experiment (SOLSTICE) instrument in a constrained environment which produces minimum impact on the other instruments and maximizes target observation times. The SOLSTICE instrument will gly on-board the Upper Atmosphere Research Satellite (UARS) in 1991, and a similar instrument will fly on the earth observing system (Eos).

Thalman, N.↗
NASA NTRS1991

On a global aerodynamic optimization of a civil transport aircraft

An aerodynamic optimization procedure developed to minimize the drag to lift ratio of an aircraft configuration: wing - body - tail, in accordance with engineering restrictions, is described. An algorithm developed to search a hypersurface with 18 dimensions, which define an aircraft configuration, is discussed. The results, when considered from the aerodynamic point of view, indicate the optimal configuration is one that combines a lifting fuselage with a canard.

Savu, G.↗
NASA NTRS1996

Genetic algorithms in conceptual design of a light-weight, low-noise, tilt-rotor aircraft

This report outlines research accomplishments in the area of using genetic algorithms (GA) for the design and optimization of rotorcraft. It discusses the genetic algorithm as a search and optimization tool, outlines a procedure for using the GA in the conceptual design of helicopters, and applies the GA method to the acoustic design of rotors.

Wells, Valana L.↗
NASA NTRS1996

Genetic algorithms in conceptual design of a light-weight, low-noise, tilt-rotor aircraft

This report outlines research accomplishments in the area of using genetic algorithms (GA) for the design and optimization of rotorcraft. It discusses the genetic algorithm as a search and optimization tool, outlines a procedure for using the GA in the conceptual design of helicopters, and applies the GA method to the acoustic design of rotors.

Wells, Valana L.↗
NASA NTRS2001

Determining Biosignatures by Complexity Analysis in Antarctic Cryptoendolithic Communities

One of the most difficult problems of life detection is that of identifying biosignatures across a wide range of scales using multiple co-registered probes. The technique should be of equal utility across a wide range of search spaces from remote sensors probing volumes of space or planetary surfaces, visual eye or camera searches across the surface of a rock in Antarctica, low resolution microscopic scanning of a rock or a space craft in situ, or high resolution electron microscope and computerized tomography scanning of geobiological samples. We describe here an approach to this problem which derives in large part from past work done in the area of astrophysics - namely the analysis of complexity in galactic signals by data compression methods. This approach is a radically new one for geobiology and astrobiology, and allows us to assess the complexity (and thus potential biogenicity) of an object being examined. This is done by considering the information within pixels of an image (regardless the sensor used to gather the information) as an energetic system capable of description in terms of classical thermodynamics. The image data space is searched by an algorithm that judges complexity via data compression (e.g., the more compressible it is, the less complex, and vice versa) and maximum entropy as originally outlined by Shannon. At present we are implementing methods to utilize images from multiple sensors gathering different kinds of information (e.g., visible gray-scale data, color analyses, UV fluorescence, chemical information, etc). We present here preliminary data from deep UV fluorescence and ESEM (Environmental Scanning Electron Microscope) images from a layered cryptoendolithic community of an Antarctic rock.

Storrie-Lombardi, M. C.↗
NASA NTRS2004

Bioinspired Engineering of Exploration Systems (BEES) - its Impact on Future Missions

This paper describes an overview of our "Bioinspired Engineering of Exploration Systems for Mars" ( "BEES for Mars") project. The BEES approach distills selected biologically inspired strategies utilizing motion cues/optic flow, bioinspired pattern recognition, biological visual and neural control systems, bioinspired sensing and communication techniques, and birds of prey inspired search and track algorithmic systems. Unique capabilities so enabled, provide potential solutions to future autonomous robotic space and planetary mission applications. With the first series of tests performed in September 2003, August 2004 and September 2004, we have demonstrated the BEES technologies at the El Mirage Dry Lakebed site in the Mojave Desert using Delta Wing experimental prototypes. We call these test flyers the "BEES flyer", since we are developing them as dedicated test platform for the newly developed bioinspired sensors, processors and algorithmic strategies. The Delta Wing offers a robust airframe that can sustain high G launches and offers ease of compact stowability and packaging along with scaling to small size and low ReynOld's number performance for a potential Mars deployment. Our approach to developing light weight, low power autonomous flight systems using concepts distilled from biology promises to enable new applications, of dual use to NASA and DoD needs. Small in size (0.5 -5 Kg) BEES Flyers are demonstrating capabilities for autonomous flight and sensor operability in Mars analog conditions. The BEES project team spans JPL, NASA Ames, Australian National University (ANU), Brigham Young University(BYU), DC Berkeiey, Analogic Computers Inc. and other institutions. The highlights from our recent flight demonstrations exhibiting new Mission enabling capabilities are described. Further, this paper describes two classes of potential new missions for Mars exploration: (1) the long range exploration missions, and (2) observation missions, for real time imaging of critical ephemeral phenomena, that can be enabled by use of BEES flyers. For example, such flyers can serve as a powerful black-box for critical descent and landing data and enablers for improved science missions complementing and supplementing the existing assets like landers and rovers by providing valuable exploration and quick extended low-altitude aerial coverage of the sites of interest by imaging them and distributing instruments to them. Imaging done by orbiters allows broad surface coverage at limited spatial resolution. Low altitude air-borne exploration of Mars offers a means for imaging large areas, perhaps up to several hundred kilometers, quickly and efficiently, providing a close-up birds-eye view of the planetary terrain and close-up approach to constrained difficult areas like canyons and craters. A novel approach to low-mass yet highly capable flyers is enabled by small aircraft equipped using sensors and processors and algorithms developed using BEES technology. This project is focused towards showing the direct impact of blending the best of artificial intelligence attributes and bioinspiration to create a leap beyond existing capability for our future Missions.

navigation↗
NASA NTRS2011

The RHESSI Microflare Height Distribution

We present the first in-depth statistical survey of flare source heights observed by RHESSI. Flares were found using a flare-finding algorithm designed to search the 6-10 keV count-rate when RHESSI's full sensitivity was available in order to find the smallest events (Christe et al., 2008). Between March 2002 and March 2007, a total of 25,006 events were found. Source locations were determined in the 4-10 keV, 10-15 keV, and 15-30 keV energy ranges for each event. In order to extract the height distribution from the observed projected source positions, a forward-fit model was developed with an assumed source height distribution where height is measured from the photosphere. We find that the best flare height distribution is given by g (h) oc exp(-h/lambda) where lambda = 6.1 plus or minus 0.3 Mm is the scale height. A power law height distribution with a negative power law index, gamma = 3.1 plus or minus 0.3 is also consistent with the data. Interpreted as thermal loop top sources, these heights are compared to loops generated by a potential field model (PFSS). The measured flare heights distribution are found to be much steeper than the potential field loop height distribution which may be a signature of the flare energization process.

Christe, P.↗
NASA NTRS2006

NASA Tech Briefs, November 2006

Topics include: Simulator for Testing Spacecraft Separation Devices; Apparatus for Hot Impact Testing of Material Specimens; Instrument for Aircraft-Icing and Cloud-Physics Measurements; Advances in Measurement of Skin Friction in Airflow; Improved Apparatus for Testing Monoball Bearings; High-Speed Laser Scanner Maps a Surface in Three Dimensions; Electro-Optical Imaging Fourier-Transform Spectrometer; Infrared Instrument for Detecting Hydrogen Fires; Modified Coaxial Probe Feeds for Layered Antennas; Detecting Negative Obstacles by Use of Radar; Cryogenic Pound Circuits for Cryogenic Sapphire Oscillators; PixelLearn; New Software for Predicting Charging of Spacecraft; Conversion Between Osculating and Mean Orbital Elements; Generating a 2D Representation of a Complex Data Structure; Making Activated Carbon by Wet Pressurized Pyrolysis; Composite Solid Electrolyte Containing Li+- Conducting Fibers; Electrically Conductive Anodized Aluminum Surfaces; Rapid-Chill Cryogenic Coaxial Direct-Acting Solenoid Valve; Variable-Tension-Cord Suspension/Vibration- Isolation System; Techniques for Connecting Superconducting Thin Films; Versatile Friction Stir Welding/Friction Plug Welding System; Thermal Spore Exposure Vessels; Enumerating Spore-Forming Bacteria Airborne with Particles; Miniature Oxidizer Ionizer for a Fuel Cell; Miniature Ion-Array Spectrometer; Promoted-Combustion Chamber with Induction Heating Coil; Miniature Ion-Mobility Spectrometer; Mixed-Salt/Ester Electrolytes for Low-Temperature Li+ Cells; Miniature Free-Space Electrostatic Ion Thrusters; Miniature Bipolar Electrostatic Ion Thruster; Holographic Plossl Retroreflectors; Miniature Electrostatic Ion Thruster With Magnet; Using Apex To Construct CPM-GOMS Models; Sequence Detection for PPM Optical Communication With ISI; Algorithm for Rapid Searching Among Star-Catalog Entries; Expectation-Based Control of Noise and Chaos; Radio Heating of Lunar Soil to Release Gases; Using Electrostriction to Manipulate Ullage in Microgravity; Equations for Scoring Rules When Data Are Missing; Insulating Material for Next-Generation Spacecraft; and Pseudorandom Switching for Adding Radar to the AFF Sensor.

Source record↗
NASA NTRS2004

Polymorphic Electronic Circuits

Polymorphic electronics is a nascent technological discipline that involves, among other things, designing the same circuit to perform different analog and/or digital functions under different conditions. For example, a circuit can be designed to function as an OR gate or an AND gate, depending on the temperature (see figure). Polymorphic electronics can also be considered a subset of polytronics, which is a broader technological discipline in which optical and possibly other information- processing systems could also be designed to perform multiple functions. Polytronics is an outgrowth of evolvable hardware (EHW). The basic concepts and some specific implementations of EHW were described in a number of previous NASA Tech Briefs articles. To recapitulate: The essence of EHW is to design, construct, and test a sequence of populations of circuits that function as incrementally better solutions of a given design problem through the selective, repetitive connection and/or disconnection of capacitors, transistors, amplifiers, inverters, and/or other circuit building blocks. The evolution is guided by a search-and-optimization algorithm (in particular, a genetic algorithm) that operates in the space of possible circuits to find a circuit that exhibits an acceptably close approximation of the desired functionality. The evolved circuits can be tested by computational simulation (in which case the evolution is said to be extrinsic), tested in real hardware (in which case the evolution is said to be intrinsic), or tested in random sequences of computational simulation and real hardware (in which case the evolution is said to be mixtrinsic).

Stoica, Adrian↗
NASA NTRS2018

Data Mining for Vortices on the Earth's Magnetosphere - Algorithm Application for Detection and Analysis

Unsteady processes in the solar wind– magnetosphere interaction, such as vortices developed at the magnetopause boundary by the Kelvin–Helmholtz instability, may contribute to the process of mass, momentum and energy transfer into the Earth’s magnetosphere. The research described in this paper validates an algorithm to automatically detect and characterize vortices based on velocity data from simulations. The vortex identification algorithm (VIA) systematically searches the 3-D velocity fields to identify critical points where the magnitude of the velocity vector vanishes. The velocity gradient tensor is computed and its invariants are used to assess vortex structure in the flow field. We use the Community Coordinated Modeling Center (CCMC) Runs on Request capability to create a series of model runs initialized from the conditions observed by the Cluster mission in the Hwang et al. (2011) analysis of Kelvin–Helmholtz vortices observed during southward interplanetary magnetic field (IMF) conditions. We analyze further the properties of the vortices found in the runs, including the velocity changes within their motion across the magnetosheath. We also demonstrate the potential of our tool to identify and characterize other transient features (e.g., flux transfer events, FTEs) with vortical internal structures. We find that the vortices are associated with flows on the magnetosheath side of the magnetopause that reach speeds greater than the solar wind speed at the bow shock.

Collado-Vega, Yaireska M.↗
NASA NTRS2017

Initial Results of Heuristic Guided Orbit Selection for a Low Frequency Radio Interferometric Spacecraft Constellation

A constellation of radio telescope spacecraft can leverage interferometry to accurately image distant objects throughout the universe, but mission design must balance among many interrelated constraints. In particular, the number of craft and the selection of time-varying orbital parameters play a pivotal role in determining what interferometric baselines are feasible with respect to different targets, and thus drives the breadth and quality of data available to the constellation. The large combinatorial orbit configuration space and competing concerns present a challenging problem that is not well addressed by traditional mission design processes. This paper describes application of automated optimization methods to help direct mission design effort to the most promising dynamic constellation geometries: those that achieve broad interferometric coverage but remain cost-effective and resilient to failures. Several automatic heuristic-driven optimization algorithms representing complementary search strategies were created to explore among concrete constellation configuration plans. Evaluation of each candidate constellation plan was accelerated by efficiently combining precomputed caches of orbital and interferometric data. Results indicate that leveraging automated optimization for constellation mission design is both practical and illuminating: generated solutions provided both evidence for existing design intuitions as well as fresh insights into novel configurations.

Hernandez, Sonia↗
NASA NTRS1996

Searching for Faint Companions to Nearby Stars with the Hubble Space Telescope

A search for faint companions (FC's) to selected stars within 5 pc of the Sun using the Hubble Space Telescope's Planetary Camera (PC) has been initiated. To assess the PC's ability to detect FCs, we have constructed both model and laboratory-simulated images and compared them to actual PC images. We find that the PC's point-spread function (PSF) is 3-4 times brighter over the angular range 2-5 sec than the PSF expected for a perfect optical system. Azimuthal variations of the PC's PSF are 10-20 times larger than expected for a perfect PSF. These variations suggest that light is scattered nonuniformly from the surface of the detector. Because the anomalies in the PC's PSF cannot be precisely simulated, subtracting a reference PSF from the PC image is problematic. We have developed a computer algorithm that identifies local brightness anomalies within the PSF as potential FCs. We find that this search algorithm will successfully locate FCs anywhere within the circumstellar field provided that the average pixel signal from the FC is at least 10 sigma above the local background. This detection limit suggests that a comprehensive search for extrasolar Jovian planets with the PC is impractical. However, the PC is useful for detecting other types of substellar objects. With a stellar signal of 10(exp 9) e(-), for example, we may detect brown dwarfs as faint as M(sub I) = 16.7 separated by 1 sec from alpha Cen A.

Schroeder, Daniel J.↗
NASA NTRS2010

Fast and Flexible Multivariate Time Series Subsequence Search

Multivariate Time-Series (MTS) are ubiquitous, and are generated in areas as disparate as sensor recordings in aerospace systems, music and video streams, medical monitoring, and financial systems. Domain experts are often interested in searching for interesting multivariate patterns from these MTS databases which often contain several gigabytes of data. Surprisingly, research on MTS search is very limited. Most of the existing work only supports queries with the same length of data, or queries on a fixed set of variables. In this paper, we propose an efficient and flexible subsequence search framework for massive MTS databases, that, for the first time, enables querying on any subset of variables with arbitrary time delays between them. We propose two algorithms to solve this problem (1) a List Based Search (LBS) algorithm which uses sorted lists for indexing, and (2) a R*-tree Based Search (RBS) which uses Minimum Bounding Rectangles (MBR) to organize the subsequences. Both algorithms guarantee that all matching patterns within the specified thresholds will be returned (no false dismissals). The very few false alarms can be removed by a post-processing step. Since our framework is also capable of Univariate Time-Series (UTS) subsequence search, we first demonstrate the efficiency of our algorithms on several UTS datasets previously used in the literature. We follow this up with experiments using two large MTS databases from the aviation domain, each containing several millions of observations. Both these tests show that our algorithms have very high prune rates (>99%) thus needing actual disk access for only less than 1% of the observations. To the best of our knowledge, MTS subsequence search has never been attempted on datasets of the size we have used in this paper.

Bhaduri, Kanishka↗
NASA NTRS2001

Portfolios in Stochastic Local Search: Efficiently Computing Most Probable Explanations in Bayesian Networks

Portfolio methods support the combination of different algorithms and heuristics, including stochastic local search (SLS) heuristics, and have been identified as a promising approach to solve computationally hard problems. While successful in experiments, theoretical foundations and analytical results for portfolio-based SLS heuristics are less developed. This article aims to improve the understanding of the role of portfolios of heuristics in SLS. We emphasize the problem of computing most probable explanations (MPEs) in Bayesian networks (BNs). Algorithmically, we discuss a portfolio-based SLS algorithm for MPE computation, Stochastic Greedy Search (SGS). SGS supports the integration of different initialization operators (or initialization heuristics) and different search operators (greedy and noisy heuristics), thereby enabling new analytical and experimental results. Analytically, we introduce a novel Markov chain model tailored to portfolio-based SLS algorithms including SGS, thereby enabling us to analytically form expected hitting time results that explain empirical run time results. For a specific BN, we show the benefit of using a homogenous initialization portfolio. To further illustrate the portfolio approach, we consider novel additive search heuristics for handling determinism in the form of zero entries in conditional probability tables in BNs. Our additive approach adds rather than multiplies probabilities when computing the utility of an explanation. We motivate the additive measure by studying the dramatic impact of zero entries in conditional probability tables on the number of zero-probability explanations, which again complicates the search process. We consider the relationship between MAXSAT and MPE, and show that additive utility (or gain) is a generalization, to the probabilistic setting, of MAXSAT utility (or gain) used in the celebrated GSAT and WalkSAT algorithms and their descendants. Utilizing our Markov chain framework, we show that expected hitting time is a rational function - i.e. a ratio of two polynomials - of the probability of applying an additive search operator. Experimentally, we report on synthetically generated BNs as well as BNs from applications, and compare SGSs performance to that of Hugin, which performs BN inference by compilation to and propagation in clique trees. On synthetic networks, SGS speeds up computation by approximately two orders of magnitude compared to Hugin. In application networks, our approach is highly competitive in Bayesian networks with a high degree of determinism. In addition to showing that stochastic local search can be competitive with clique tree clustering, our empirical results provide an improved understanding of the circumstances under which portfolio-based SLS outperforms clique tree clustering and vice versa.

Mengshoel, Ole J.↗
NASA NTRS1996

Optimization of Operations Resources via Discrete Event Simulation Modeling

The resource levels required for operation and support of reusable launch vehicles are typically defined through discrete event simulation modeling. Minimizing these resources constitutes an optimization problem involving discrete variables and simulation. Conventional approaches to solve such optimization problems involving integer valued decision variables are the pattern search and statistical methods. However, in a simulation environment that is characterized by search spaces of unknown topology and stochastic measures, these optimization approaches often prove inadequate. In this paper, we have explored the applicability of genetic algorithms to the simulation domain. Genetic algorithms provide a robust search strategy that does not require continuity and differentiability of the problem domain. The genetic algorithm successfully minimized the operation and support activities for a space vehicle, through a discrete event simulation model. The practical issues associated with simulation optimization, such as stochastic variables and constraints, were also taken into consideration.

Joshi, B.↗