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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 OSTI2021

DOE JGI Metagenome Workflow

The DOE Joint Genome Institute (JGI) Metagenome Workflow performs metagenome data processing, including assembly; structural, functional, and taxonomic annotation; and binning of metagenomic data sets that are subsequently included into the Integrated Microbial Genomes and Microbiomes (IMG/M) (I.-M. A. Chen, K. Chu, K. Palaniappan, A. Ratner, et al., Nucleic Acids Res, 49:D751–D763, 2021, https://doi.org/10.1093/nar/gkaa939) comparative analysis system and provided for download via the JGI data portal (https://genome.jgi.doe.gov/portal/). This workflow scales to run on thousands of metagenome samples per year, which can vary by the complexity of microbial communities and sequencing depth. Here, we describe the different tools, databases, and parameters used at different steps of the workflow to help with the interpretation of metagenome data available in IMG and to enable researchers to apply this workflow to their own data. We use 20 publicly available sediment metagenomes to illustrate the computing requirements for the different steps and highlight the typical results of data processing. The workflow modules for read filtering and metagenome assembly are available as a workflow description language (WDL) file (https://code.jgi.doe.gov/BFoster/jgi_meta_wdl). The workflow modules for annotation and binning are provided as a service to the user community at https://img.jgi.doe.gov/submit and require filling out the project and associated metadata descriptions in the Genomes OnLine Database (GOLD) (S. Mukherjee, D. Stamatis, J. Bertsch, G. Ovchinnikova, et al., Nucleic Acids Res, 49:D723–D733, 2021, https://doi.org/10.1093/nar/gkaa983).

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2002

Ionospheric Electron/Ion Densities Temperatures on CD-ROM and WWW

As part of this project a large volume of ionospheric satellite insitu data from the sixties, seventies and early eighties were made accessible online in ASCII format for public use. This includes 14 data sets from the BE-B, Alouette 2, DME-A, AE-B, ISIS-1, ISIS-2, OGO-6, DE-2, AEROS-A, AE-C, AE-D, AE-E, and Hinotori satellites. The original data existed in various machine-specific, highly compressed, binary encoding on 7-, or 9-track magnetic tapes. The data were decoded and converted to a common ASCII data format, solar and magnetic indices were added, and some quality control measures were taken. The original intent of producing CD-ROMs with these data was overtaken by the rapid development of the Internet. Most users now prefer to obtain the data directly online and greatly value WWW-interfaces to browse, plot and subset the data. Accordingly the data were made available online on the anonymous ftp site of NASA's National Space Science Data Center (NSSDC) at ftp://nssdcftp.gsfc.nasa.gov/spacecraft data/ and on NSSDC's ATMOWeb (http://nssdc.gsfc.nasa.gov/atmoweb/), a WWW-interface for plotting, subsetting, and downloading the data. Several new features were implemented into ATMOWeb as part of this project including a filtering and scatter plot capability. The availability of this new database and WWW system was announced through several electronic mailer (AGU, CEDAR, IRI, etc) and through talks and posters during scientific meetings.

Bilitza, Dieter↗
NASA NTRS2021

Quantifying the Impacts of PM2.5 Constituents and Relative Humidity on Visibility Impairment in a Suburban Area of Eastern Asia Using Long-Term In-Situ Measurements.

The deterioration of visibility due to air pollutants and relative humidity has been a serious environmental problem in eastern Asia. In most previous studies, chemical compositions of atmospheric particles were provided using filter-based offline analyses, which were unable to provide long-term and in-situ measurements that resolve sufficient temporal variations of air pollution and meteorology, hindering the resolution of the relationship between air quality and visibility. Here, we present a year-long continuously measured data from a comprehensive suite of online instruments to investigate diurnal and seasonal impacts of the aerosol chemical compositions in PM2.5 on visibility seasonally and diurnally. The measured dry aerosol extinction at λ = 550 nm reached a closure with that predicted by aerosol compositions within 12%. However, the hygroscopic growth of particles under ambient RH could enhance the aerosol extinction by a factor of 2 – 6, matching the perceptive visibility of the public. Particulate ammonium nitrate was most sensitive to reducing visibility, while ammonium sulfate contributed the most to the light extinction. In spring and winter, the monsoon and stagnant air masses reduced the visibility and increased PM2.5 (> 35 μg m-3).The moisture was found to substantially enhance the light extinction under RH = 60 – 90%,reducing visibility by approximately 15 km, largely attributed to hygroscopic inorganic salts.This study serves as a metric to highlight the need to consider the influence of RH, and aqueous reactions in producing secondary inorganic aerosols on atmospheric visibility, underpinning the more accurate mitigation strategies of air pollution.

visibility↗
DOE OSTI2025

A framework to evaluate machine learning crystal stability predictions

The rapid adoption of machine learning in various scientific domains calls for the development of best practices and community agreed-upon benchmarking tasks and metrics. We present Matbench Discovery as an example evaluation framework for machine learning energy models, here applied as pre-filters to first-principles computed data in a high-throughput search for stable inorganic crystals. We address the disconnect between (1) thermodynamic stability and formation energy and (2) retrospective and prospective benchmarking for materials discovery. Alongside this paper, we publish a Python package to aid with future model submissions and a growing online leaderboard with adaptive user-defined weighting of various performance metrics allowing researchers to prioritize the metrics they value most. To answer the question of which machine learning methodology performs best at materials discovery, our initial release includes random forests, graph neural networks, one-shot predictors, iterative Bayesian optimizers and universal interatomic potentials. We highlight a misalignment between commonly used regression metrics and more task-relevant classification metrics for materials discovery. Accurate regressors are susceptible to unexpectedly high false-positive rates if those accurate predictions lie close to the decision boundary at 0 eV per atom above the convex hull. The benchmark results demonstrate that universal interatomic potentials have advanced sufficiently to effectively and cheaply pre-screen thermodynamic stable hypothetical materials in future expansions of high-throughput materials databases.

Riebesell, Janosh↗
DOE OSTI2024

The Integration and Mapping of an Open-Source National Well Resource to Inform Geologic Carbon Storage Site Selection and Risk Prevention: The CO2-Locate Database

Geologic carbon storage (GCS) offers a way to capture and permanently store CO₂ from fossil fuel operations in underground geologic structures, aiding in the transition to a carbon-neutral energy economy. However, CO₂ injection sites can experience gas leakage through existing wells that penetrate storage reservoirs, making knowledge of well locations and characteristics crucial for permitting, infrastructure reusability, and risk assessment in GCS. Currently, public wellbore data from state, federal, and tribal entities are inconsistent and fragmented, with gaps and redundancies. To address this, the National Energy Technology Laboratory (NETL) developed CO2-Locate, an open-source, geospatial database and online application. CO2-Locate integrates over 50 data sources from federal, state, and tribal entities, creating a standardized national well database. Funded by the Bipartisan Infrastructure Law, the database is publicly available through the Energy Data eXchange (EDX) and viewable via the CO2-Locate web mapping application. This tool allows users to query, filter, and visualize well data to support GCS planning, permitting, and risk assessments. This presentation covers the methods used to create CO2-Locate, including data acquisition, processing, attribute mapping, and integration, much of which is automated for future updates. The web mapping application and its role in GCS site selection will also be discussed.

Tetteh, Daniel A.↗
DOE OSTI2021

Development of an in situ dual-channel thermal desorption gas chromatography instrument for consistent quantification of volatile, intermediate-volatility and semivolatile organic compounds

Abstract. Aerosols are a source of great uncertainty in radiative forcing predictions and have poorly understood health impacts. Most aerosol mass is formed in the atmosphere from reactive gas-phase organic precursors, forming secondary organic aerosol (SOA). Semivolatile organic compounds (SVOCs) (effective saturation concentration, C*, of 10−1–103 µg m−3) comprise a large fraction of organic aerosol, while intermediate-volatility organic compounds (IVOCs) (C* of 103–106 µg m−3) and volatile organic compounds (VOCs) (C* ≥ 106 µg m−3) are gas-phase precursors to SOA and ozone. The Comprehensive Thermal Desorption Aerosol Gas Chromatograph (cTAG) is the first single instrument simultaneously quantitative for a broad range of compound-specific VOCs, IVOCs and SVOCs. cTAG is a two-channel instrument which measures concentrations of C5–C16 alkane-equivalent-volatility VOCs and IVOCs on one channel and C14–C32 SVOCs on the other coupled to a single high-resolution time-of-flight mass spectrometer, achieving consistent quantification across 15 orders of magnitude of vapor pressure. cTAG obtains concentrations hourly and gas–particle partitioning for SVOCs every other hour, enabling observation of the evolution of these species through oxidation and partitioning into the particle phase. Online derivatization for the SVOC channel enables detection of more polar and oxidized species. In this work we present design details and data evaluating key parameters of instrument performance such as I/VOC collector design optimization, linearity and reproducibility of calibration curves obtained using a custom liquid evaporation system for I/VOCs and the effect of an ozone removal filter on instrument performance. Example timelines of precursors with secondary products are shown, and analysis of a subset of compounds detectable by cTAG demonstrates some of the analytical possibilities with this instrument.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Towards Online Machine Learning in DUNE Data Acquisition

Processing the large volumes of data produced by liquid argon time projection chamber (LArTPC) experiments presents a significant challenge, especially those at the scale of DUNE. This is a particular challenge when aiming to trigger on low-energy neutrinos from core-collapse supernovae, which are typically buried in a high-rate radiological background. To enable real-time event selection suitable for such rare signals, we are developing machine learning based data filtering methods. In order to demonstrate the feasibility of this approach, we implemented such pipeline using the ICEBERG detector at Fermilab as a small-scale LArTPC, with a focus on identifying Michel electrons as a proxy for low-energy neutrino interactions. This poster will present the current status of integrating these machine learning models into the data acquisition (DAQ) system of this detector.

Dalager, Olivia [Fermilab]↗
DOE OSTI2023

A Barrier-Certificated Reinforcement Learning Approach for Enhancing Power System Transient Stability

Increasing integration of renewable resources brings more flexibility and poses new challenges to modern power systems, leading to highly nonlinear and complex dynamics. Here, this paper aims to provide a general solution framework to traditional control problems, such as frequency control and voltage control, which attempt to maintain the stability of either synchronous generators-governed or inverter-governed systems when subjected to a disturbance and simultaneously guarantee operational constraints, providing a complete complement to existing works on control design. Building on reinforcement learning (RL) and control barrier functions, the framework includes two subsystems, i.e., a model-free controller and a barrier-certification system, which discover RL-based control actions and sequentially filter them using a barrier certificate to satisfy operational constraints. Calculating a barrier function is generally challenging for a complex power system. This is addressed by representing the barrier function using neural networks (NNs) and data-based approaches. An adaptive method is introduced to certify the neural barrier function that perseveres barrier conditions, which is more compatible with online implementation. The proposed framework synthesizes a stabilizing controller that satisfies predefined safety regions. The effectiveness of the proposed framework is demonstrated via several comparative case studies.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Online Bayesian State Estimation for Real-Time Monitoring of Growth Kinetics in Thin Film Synthesis

Rapid validation of newly predicted materials through autonomous synthesis requires real-time adaptive control methods that exploit physics knowledge, a capability that is lacking in most systems. Here, in this study, we demonstrate an approach to enable real-time control of thin film synthesis by combining in situ optical diagnostics with a Bayesian state estimation method. We developed a physical model for film growth and applied the direct filter (DF) method for real-time estimation of nucleation and growth rates during pulsed laser deposition (PLD). We validated the approach using simulated and experimental reflectivity data for WSe 2 growth and ultimately deployed the algorithm on an autonomous PLD system during the growth of 1T'-MoTe 2 . The DF robustly estimates growth parameters in real time at early stages of growth, down to 15% monolayer area coverage. This fusion of in situ diagnostics, data assimilation, and physical modeling opens new opportunities in adaptive control of synthesis trajectories toward desired material states.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Results from the First Field Test of a Ruggedized Continuous Holdup Monitor

A first field test of the inexpensive and ruggedized online holdup monitor under development at the US Department of Energy’s Oak Ridge National Laboratory (ORNL) was performed in September of 2023 with highly successful results. ORNL staff collaborated with personnel at the National Fuel Services (NFS) to place two battery-powered detector units at the facility, one on a fuel processing line and the other on a HEPA filter. Both units collected gamma-ray counts per second, temperature, humidity, and battery power data every 5 s seconds over the course of 19 days. Analyzed results from the measurements were discussed with NFS personnel after the units were removed. Vendor feedback on the units was overwhelmingly positive with an expressed desire to deploy finished units at the facility and an open invitation for testing future prototypes.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Metagenome-assembled genomes from soil samples in control and warming plots in Blodgett Forest, CA (2014-2021)

The pathways of carbon transport and loss through and from soils—soil organic matter (SOM) depolymerization to dissolved organic carbon and mineralization to carbon dioxide (CO2)—are fundamentally driven by microbial activity, which is strongly regulated by environmental conditions. As part of LBNL (Lawrence Berkeley National Laboratory) TES (Terrestrial Ecosystem Science) Belowground Biogeochemistry Science Focus Area (SFA), we have established a novel whole-soil long-term warming experiment at the University of California (UC) Blodgett Forest Research Station (Sierra Nevada) in 2014, where we study the role of biogeochemical, microbial and geochemical process interactions in SOM decomposition and stabilization.Here, we present metagenome-assembled genomes (MAGs) for the bacterial and archaeal community from soil depth profiles collected from 2014 to 2021 from three paired control and warming plots. We collected soil samples across a range of depth profiles (spanning surface to 90 cm deep) from three paired control and warming plots from a temperate mixed forest in Northern California. Each paired plot had been subjected to experimental warming since June 2014 to simulate a predicted climate change scenario for northern California. 101 soil metagenomes were sequenced at JGI (Joint Genome Institute) and UCSF (University of California San Francisco) Center for Advanced Technology and can be found under the JGI (Joint Genome Institute) GOLD (Genomes Online Database) Sequencing project Gs0151586 and NCBI (National Center for Biotechnology Information) Projects PRJNA1225762 and PRJEB39497. Metagenomes were assembled using JGI (Joint Genome Institute) Metagenome Workflow (10.1128/mSystems.00804-20). For each metagenome, the assembled contigs were binned into genomes using 3 binning algorithms (cocacola, metabat, and maxbin) and the resulting bins were consolidated using dastool. The consolidated bins from all metagenomes were pooled, filtered by completeness (>50%) and contamination (<25%), and dereplicated at 99% ANI (average nucleotide identity) using dRep (https://github.com/MrOlm/drep).The dataset includes a zip file of 2321 MAG (Metagenome Assembled Genome) fasta files, the accession numbers for the underlying metagenomes, and a csv file with MAG (Metagenome Assembled Genome) quality metrics and taxonomic classification (GTDB -Genome Taxonomy Database-RS220). This dataset also includes a file-level metadata (flmd.csv) file that lists each file contained in the dataset with associated metadata and a data dictionary (dd.csv) file that contains column/row headers used throughout the files along with a definition, units, and data type. A sample metadata file (samples.csv) that contains site information has also been included.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1988

Achieving real-time performance in FIESTA

The Fault Isolation Expert System for TDRSS Applications (FIESTA) is targeted for operation in a real-time online environment. Initial stages of the prototype development concentrated on acquisition and representation of the knowledge necessary to isolate faults in the TDRSS Network. Recent efforts focused on achieving real-time performance including: a discussion of the meaning of FIESTA real-time requirements, determination of performance levels (benchmarking) and techniques for optimization. Optimization techniques presented include redesign of critical relations, filtering of redundant data and optimization of patterns used in rules. Results are summarized.

Wilkinson, William↗
NASA NTRS1995

Characterizing SOI Wafers By Use Of AOTF-PHI

Developmental nondestructive method of characterizing layers of silicon-on-insulator (SOI) wafer involves combination of polarimetric hyperspectral imaging by use of acousto-optical tunable filters (AOTF-PHI) and computational resources for extracting pertinent data on SOI wafers from polarimetric hyperspectral images. Offers high spectral resolution and both ease and rapidity of optical-wavelength tuning. Further efforts to implement all of processing of polarimetric spectral image data in special-purpose hardware for sake of procesing speed. Enables characterization of SOI wafers in real time for online monitoring and adjustment of production. Also accelerates application of AOTF-PHI to other applications in which need for high-resolution spectral imaging, both with and without polarimetry.

Cheng, Li-Jen↗
DOE OSTI2024

Multiple aspects maintenance ontology-based intelligent maintenance optimization framework for safety-critical systems

Abstract Maintenance optimization is a process for improving the efficiency of maintenance strategies and activities, considering various aspects of the target system and components, such as the probabilities of system failures and the cost of repair and replacement of a failed component. The improvement of maintenance optimization algorithms generally requires information from various data sources. For example, it may require the system risk information derived from risk analysis tools or the residual lifetime of a component from fault prognosis tools. The requirements of data acquisition (DAQ) and aggregation pose new challenges for maintenance management systems (MMSs) that implement and use these maintenance optimization algorithms. This paper proposes a multiple aspects maintenance ontology-based framework to facilitate DAQ from MMSs, online monitoring systems, fault detection and discrimination tools, risk assessment tools, decision-making tools, and component identification tools, and accelerate the implementation and verification of contemporary maintenance optimization models and algorithms. The proposed framework consists of a multi-aspect maintenance ontology with critical information for maintenance optimization and application interfaces for collecting information from various data sources, such as fault prognosis tools, online monitoring tools, risk assessment tools, and decision-making algorithms. In addition, this paper proposes a heuristic method for integrating concepts and properties from other existing ontologies into the proposed framework when the existing ontology is not fully compatible with the ontology under construction. Finally, the paper verifies the proposed ontology framework using a feedwater system designed for nuclear power plants with valves and filters as the components under maintenance.

Diao, Xiaoxu (ORCID:0000000346726352)↗
NASA NTRS2004

Refining the W1 and SE1 Facilities

The Engine Research Building (ERB) houses more than 60 test rigs that study all aspects of engine development. By working with Mary Gibson in the SE1 and W1A Turbine Facilities, I became aware of her responsibilities and better acquainted with the inner workings of the ERB. The SE1 Supersonic/Subsonic Wind Tunnel Facility contains 2 small wind tunnels. The first tunnel uses an atmospheric inlet, while the second uses treated 40-psig air. Both of the tunnels are capable of subsonic and supersonic operation. An auxiliary air supply and exhaust piping providing both test sections with suction, blowing, and crossfire capabilities. The current configuration of SE1 consists of a curved diffuser that studies the blockage along the endwalls. The W1A Low Speed Compressor Facility provides insight for the complex flow phenomena within its 4-stage axial compressor, sand the data obtained from W 1A is used to develop advanced models for fluid dynamic assessment. W1A is based off of a low speed research compressor developed by GE in the 1950's. This compressor has a removable casing treatment under rotor 1, which allows for various tip treatment studies. The increased size and low speed allows instrumentation to be located in the compressor s complex flow paths. Air enters the facility through a filtered roof vent, conditioned for temperature and turbulence, and then passed through the compressor W1A is described as a dynamic facility with many projects taking place simultaneously. This current environment makes it challenging to follow the various affairs that are taking place within the area. During my first 4 weeks at the NASA Glenn Research Center, I have assisted Mary Gibson in multiple tasks such as facility documents, record keeping, maintenance and upgrades. The facility has lube systems for its gearbox and compressor. These systems are critical in the successful operation of the facility. I was assigned the task of creating a facility estimate list, which included the filters and strainers required for the compressor. For my remaining time spent here, we expect to complete a facility parts listing and a virtual project summary so that W1A and SE1 will become ergonomic facilities that will make it easier for people to observe the capabilities and history of the area and the employees that operate. Bolstering our efforts in achieving these goal are the online technical tutorials, software such as Microsoft Excel. Macromedia Flash MX Macromedia Dreamweaver MX, Photoshop 6.0 and the assistance of several NASA employees.

Chambers, Rodney D.↗
DOE OSTI2023

Novel Calibration Approach for Monitoring Aerosol Hydrogen Isotopes Using Laser-Induced Breakdown Spectroscopy for Molten Salt Reactor Off-Gas Streams

Online monitoring is a key challenge for the continued development of molten salt reactor (MSR) technology. Laser-induced breakdown spectroscopy (LIBS) has previously been demonstrated to be a viable tool for monitoring aerosolized species and noble gases in real time, but the ability to discern varying isotopes in these streams has not yet been investigated for MSR applications. Tritium will form in MSRs from ternary fission and from (n,α)-reactions occurring in lithium-containing salts. This study compares three spectrometers of varying resolutions and types for measuring hydrogen isotope shifts in LIBS spectra of wetted filter paper. For each spectrometer, multivariate models were built (i.e., principal component regression, partial least squares regression, and multivariate curve resolution) to quantify the isotope ratio. The top models were then modified and corrected to apply the models to aerosol samples with varying isotope ratios. This novel calibration strategy offers an 82% reduction in volume of the calibration samples needed and is a more viable pathway for calibrating deployable LIBS systems. Lastly, this calibration model was compared with an all-aerosol trained model for monitoring hydrogen isotopes during a real-time test where the protium/deuterium ratio, along with representative salt species (i.e., lithium, sodium, and potassium) were adjusted dynamically. Results of this test validated the predictive capabilities of the transferred model and highlighted the capabilities of LIBS for real-time monitoring of MSR effluent streams.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1989

Adaptive precompensators for flexible-link manipulator control

The application of input precompensators to flexible manipulators is considered. Frequency domain compensators color the input around the flexible mode locations, resulting in a bandstop or notch filter in cascade with the system. Time domain compensators apply a sequence of impulses at prespecified times related to the modal frequencies. The resulting control corresponds to a feedforward term that convolves in real-time the desired reference input with a sequence of impulses and produces a vibration-free output. An adaptive precompensator can be implemented by combining a frequency domain identification scheme which is used to estimate online the modal frequencies and subsequently update the bandstop interval or the spacing between the impulses. The combined adaptive input preshaping scheme provides the most rapid slew that results in a vibration-free output. Experimental results are presented to verify the results.

Tzes, Anthony P.↗
DOE OSTI2020

A Hybrid-Learning Algorithm for Online Dynamic State Estimation in Multimachine Power Systems

With the increasing penetration of distributed generators in the smart grids, having knowledge of rapid real-time electromechanical dynamic states has become crucial to system stability control. Conventional Supervisory Control and Data Acquisition (SCADA)-based dynamic state estimation (DSE) techniques are limited by the slow sampling rates, while the emerging phasor measurement units (PMUs) technology enables rapid real-time measurements at network nodes. Using generator bus terminal voltages, we propose a hybrid-learning DSE (HL-DSE) algorithm to estimate the synchronous machine rotor angle and speed in real time. The HL-DSE takes the power system model into account and trains neuroestimators with real-time data in an online manner. Compared with traditional DSE methods, the HL-DSE overcomes limitations by using a data-driven approach in conjunction with the physical power system model. The time efficiency, accuracy, convergence, and robustness of the proposed algorithm are tested under noises and fault conditions in both small- and large-scale test systems. Simulation results show that the proposed HL-DSE is much more computationally efficient than widely used Kalman filter (KF)-based methods while maintaining comparable accuracy and robustness. In particular, HL-DSE is over 100 times faster than square-root unscented KF (SR-UKF) and 80 times faster than extended KF (EKF). The advantages and challenges of the HL-DSE are also discussed.

24 POWER TRANSMISSION AND DISTRIBUTION↗