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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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At least 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

A database of thermally activated delayed fluorescent molecules auto-generated from scientific literature with ChemDataExtractor

A database of thermally activated delayed fluorescent (TADF) molecules was automatically generated from the scientific literature. It consists of 25,482 data records with an overall precision of 82%. Among these, 5,349 records have chemical names in the form of SMILES strings which are represented with 91% accuracy; these are grouped in a subsidiary database. Each data record contains one of the following four properties: maximum emission wavelength (λ EM ), photoluminescence quantum yield (PLQY), singlet-triplet energy splitting (ΔE ST ), and delayed lifetime (τ D ). The databases were created through text mining using ChemDataExtractor, a chemistry-aware natural-language-processing toolkit, which has been adapted for TADF research. The text-mined corpus consisted of 2,733 papers from the Royal Society of Chemistry and Elsevier. To the best of our knowledge, these databases are the first databases that have been auto-generated for TADF molecules from existing publications. The databases have been publicly released for experimental and computational applications in the TADF research field.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Chelator-mediated Fenton post-treatment enhances methane yield from lignocellulosic residues via microbial community modulation

Advancing biomethane production from anaerobic digestion (AD) is essential for building a more reliable and resilient bioenergy system. However, incomplete conversion of lignocellulose-rich agricultural waste remains a key limitation, often leaving energy-dense residues in the digestate by-product. In this study, we introduce a novel application of chelator-mediated Fenton (CMF) post-treatment to recover untapped biomethane potential from these recalcitrant residues, representing a significant departure from conventional pre-treatment strategies. By systematically varying pH, iron-chelator concentration, and hydrogen peroxide dosage, we identified reaction conditions (pH 6–8, 5 mM Fe 2+ -dihydroxybenzene, 3–4 wt.% H 2 O 2 ) that enhanced lignocellulose deconstruction and increased dissolved organic carbon (DOC) availability for methanogenesis. CMF post-treatment led to up to a tenfold increase in biomethane potential compared to untreated controls. Microbial community analysis revealed enrichment of cellulolytic species, suggesting enhanced hydrolytic activity as a driver of improved conversion. Application of the CMF post-treatment method to isolated poplar lignin further demonstrated its versatility for diverse lignocellulosic substrates. These findings position CMF post-treatment as a promising strategy to enhance AD efficiency and valorize digestate.

Martinez, Daniella Victoria [Sandia National Labor↗
DOE OSTI2021

Benchmarking the Lab Fellows Program

PNNL’s Fellows are recognized as having attained the institution’s highest level of scientific and technical achievement. These individuals are internationally recognized by their peers and have demonstrated innovation and leadership throughout their careers. PNNL’s Independent Oversight (IO) office led an assessment to benchmark how other research and development organizations identify, advance, recognize, and utilize their Fellows.

99 GENERAL AND MISCELLANEOUS↗
NASA NTRSDate not supplied

Transformation of the NASA Life Sciences Portal to a FAIR Data Point

The FAIR principles emphasize optimizing metadata, the vast majority of which are textual in nature, and often organized into attribute name-value pairs. This uniformity has led to the development of guidelines and best practices for providing programmatic access to scientific data through their metadata, yielding the first iteration of the FAIR Data Point Specifications (FDPS). A key feature of the FDPS is its support for automated agents seeking and fetching data without first needing to learn a plethora of different application programming interfaces. These software agents can interrogate metadata catalogs that adhere to FDPS in a uniform manner because each catalog describes itself and its metadata schema consistently. This approach enhances the sustainability of data retrieval support, allowing systems to refine and update their metadata schemas as needed and without requiring data-seeking software agents to change how they interrogate FDPS catalogs. An essential aspect of the FDPS is the standardization of data catalog semantics, which formalizes concepts such as “metadata” and “metadata service” and links them to other concepts specifications including the Data Catalog Vocabulary (DCAT), a W3C standard that is also the basis of NASA-STD-2831 “Metadata Standard for Data Discoverability,” authored by NASA’s Office of the Chief Information Officer. The FDPS references DCAT (version 2) elements which focus on the distribution of datasets and support the goal of stream-lined catalog integration across repositories for improved data discovery. Additionally, the FDPS also prescribe the use of Linked Data Platform elements for data catalog-metadata record containment descriptions, allowing users to ascertain which data and metadata belong to which catalogs. NASA’s Life Sciences Portal is implementing the FDPS while formalizing its metadata schema to support the accelerated synthesis of knowledge from space life sciences investigations.

platform↗
DOE OSTI2025

MRCI - Final Technical Report

The objective of the Midwest Regional Carbon Initiative (MRCI) project was to implement a collaborative Regional Initiative to accelerate the deployment of carbon capture, utilization, and storage (CCUS) in the Midwest-Northeastern and Mid-Atlantic areas of the United States. This area encompasses a 20-state region with much of the country’s carbon dioxide (CO2) emissions. The MRCI project is co-led by Battelle Memorial Institute (Battelle) in Columbus, Ohio, and the Illinois State Geological Survey (ISGS) in Champaign, Illinois, and benefitted from the experience these organizations have acquired over the past 10-plus years leading two Department of Energy (DOE) Regional Carbon Sequestration Partnerships (RCSPs): the Midwestern Regional Carbon Sequestration Partnership (MRCSP), led by Battelle, and the Midwest Geologic Sequestration Consortium (MGSC), led by the ISGS.

CCS↗
DOE OSTI2024

Carbon Negative Synthesis of Amino Acids Using a Cell-Free-Based Biocatalyst

Biological systems can directly upgrade carbon dioxide (CO 2 ) into chemicals. The CO 2 fixation rate of autotrophic organisms, however, is too slow for industrial utility, and the breadth of engineered metabolic pathways for the synthesis of value-added chemicals is too limited. Biotechnology workhorse organisms with extensively engineered metabolic pathways have recently been engineered for CO 2 fixation. Yet, their low carbon fixation rate, compounded by the fact that living organisms split their carbon between cell growth and chemical synthesis, has led to only cell growth with no chemical synthesis achieved to date. Here, we engineer a lysate-based cell-free expression (CFE)-based multienzyme biocatalyst for the carbon negative synthesis of the industrially relevant amino acids glycine and serine from CO 2 equivalents–formate and bicarbonate–and ammonia. The formate-to-serine biocatalyst leverages tetrahydrofolate (THF)-dependent formate fixation, reductive glycine synthesis, serine synthesis, and phosphite dehydrogenase-dependent NAD(P)H regeneration to convert 30% of formate into serine and glycine, surpassing the previous 22% conversion using a purified enzyme system. We find that (1) the CFE-based biocatalyst is active even after 200-fold dilution, enabling higher substrate loading and product synthesis without incurring additional cell lysate cost, (2) NAD(P)H regeneration is pivotal to driving forward reactions close to thermodynamic equilibrium, (3) balancing the ratio of the formate-to-serine pathway genes added to the CFE is key to improving amino acid synthesis, and (4) efficient THF recycling enables lowering the loading of this cofactor, reducing the cost of the CFE-based biocatalyst. To our knowledge, this is the first synthesis of amino acids that can capture CO 2 equivalents for the carbon negative synthesis of amino acids using a CFE-based biocatalyst. Looking ahead, the CFE-based biocatalyst process could be extended beyond serine to pyruvate, a key intermediate, to access a variety of chemicals from aromatics and terpenes to alcohols and polymers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Highly Emissive Semi-Ladder-Type Copolymers, Aggregation State, and Solution-Processed Organic Light-Emitting Transistor

An organic light-emitting transistor (OLET) integrates the logic function of a field-effect transistor (FET) with electroluminescence of a light-emitting diode (LED) into a single device. This has the potential to play an important role in smart displays, electrically pumped organic laser, and other flexible electronic devices. For achieving high-performance solution-processed OLET, three semiladder copolymers—TPTI-CC, TPTI-C, and TPTI-F—were developed in this study. It was found that variation in the chemical structure lead to significant differences in energy level, emission color, and intermolecular aggregation. High photoluminescence quantum yields (PLQY) was obtained in these three polymers. Solution-processed trilayered OLET devices were fabricated, which exhibited strong electroluminescence, balanced charge mobility, and external quantum efficiency (EQE) of 2.8%.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Cloud Condensation Nuclei Closure Study Using Airborne Measurements Over the Southern Great Plains

Abstract Airborne measurements of non‐refractory bulk aerosol chemical composition, aerosol size distributions, and cloud condensation nuclei (CCN) were conducted onboard a research aircraft during the Holistic Interactions of Shallow Clouds, Aerosols and Land Ecosystems field campaign in the spring and summer of 2016. A CCN closure study for the entire campaign period was performed where measured CCN concentrations at 0.24% and 0.46% supersaturation were compared with the predicted CCN concentrations calculated using κ ‐Köhler theory, three different assumptions of aerosol mixing state, and various assumptions about hygroscopicity, density, and the insoluble fraction of organic particles. We found that the Closure Ratio (CR), calculated as the ratio of predicted to measured CCN concentrations, was equal to one under two different aerosol mixing state assumptions: (a) all particles are composed of 100% organic particles, and (b) particles are externally mixed and composed of pure sulfates, nitrates, and organic particles assuming hygroscopicity values for organic particles ( ) between 0.04 and 0.17. The use of internal mixing state assumption often led to overprediction of CCN concentrations but the agreement within ±20% with the measured CCN concentrations was observed under certain closure permutations. A similar agreement, that is, within ±20%, was also observed using permuted parameters concerning density (1 and 1.5 g cm −3 ) and an insoluble fraction (0% and 20%) of organic particles. These findings may provide constraints on to predict CCN concentrations at a remote continental Southern Great Plains site.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

The Colorado East River Community Observatory Data Collection

Abstract The U.S. Department of Energy's (DOE) Colorado East River Community Observatory (ER) in the Upper Colorado River Basin was established in 2015 as a representative mountainous, snow‐dominated watershed to study hydrobiogeochemical responses to hydrological perturbations in headwater systems. The ER is characterized by steep elevation, geologic, hydrologic and vegetation gradients along floodplain, montane, subalpine, and alpine life zones, which makes it an ideal location for researchers to understand how different mountain subsystems contribute to overall watershed behaviour. The ER has both long‐term and spatially‐extensive observations and experimental campaigns carried out by the Watershed Function Scientific Focus Area (SFA), led by Lawrence Berkeley National Laboratory, and researchers from over 30 organizations who conduct cross‐disciplinary process‐based investigations and modelling of watershed behaviour. The heterogeneous data generated at the ER include hydrological, genomic, biogeochemical, climate, vegetation, geological, and remote sensing data, which combined with model inputs and outputs comprise a collection of datasets and value‐added products within a mountainous watershed that span multiple spatiotemporal scales, compartments, and life zones. Within 5 years of collection, these datasets have revealed insights into numerous aspects of watershed function such as factors influencing snow accumulation and melt timing, water balance partitioning, and impacts of floodplain biogeochemistry and hillslope ecohydrology on riverine geochemical exports. Data generated by the SFA are managed and curated through its Data Management Framework. The SFA has an open data policy, and over 70 ER datasets are publicly available through relevant data repositories. A public interactive map of data collection sites run by the SFA is available to inform the broader community about SFA field activities. Here, we describe the ER and the SFA measurement network, present the public data collection generated by the SFA and partner institutions, and highlight the value of collecting multidisciplinary multiscale measurements in representative catchment observatories.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

All-vacuum-deposited inorganic cesium lead halide perovskite light-emitting diodes

Polycrystalline CsPbBr 3 thin films are deposited by vacuum co-evaporation of cesium halide and lead halide precursors, leading to uniform pinhole-free morphology and precise control over the film thickness and precursor stoichiometry. By utilizing the organic hole and electron transport layers, all-vacuum-deposited perovskite LEDs are fabricated. The resulting devices exhibit a maximum luminance of 1800 cd/m 2 , a 531 nm emission wavelength peak with a spectral linewidth of 21 nm, and an external quantum efficiency of 1.1%.

36 MATERIALS SCIENCE↗
NASA NTRS1990

NASA total quality management 1989 accomplishments report

NASA and contractor employees achieved many notable improvements in 1989. The highlights of those improvements, described in this seventh annual Accomplishments Report, demonstrate that the people who support NASA's activities are getting more involved in quality and continuous improvement efforts. Their gains solidly support NASA's and this Nation's goal to remain a leader in space exploration and in world-wide market competition, and, when communicated to others through avenues such as this report, foster improvement efforts across government and industry. The principles in practice which led to these process refinements are important cultural elements to any organization's productivity and quality efforts. The categories in this report reflect NASA principles set forth in the 1980's and are more commonly known today as Total Quality Management (TQM): top management leadership and support; strategic planning; focus on the customer; employee training and recognition; employee empowerment and teamwork; measurement and analysis; and quality assurance.

Tai, Betty P.↗
NASA NTRS1990

NASA total quality management 1989 accomplishments report

Described here are the accomplishments of NASA as a result of the use of Total Quality Management (TQM). The principles in practice which led to these process refinements are important cultural elements to any organization's productivity and quality efforts. The categories of TQM discussed here are top management leadership and support, strategic planning, focus on the customer, employee training and recognition, employee empowerment and teamwork, measurement and analysis, and quality assurance.

Source record↗
NASA NTRS2006

Emerging Definition of Next-Generation of Aeronautical Communications

Aviation continues to experience rapid growth. In regions such as the United States and Europe air traffic congestion is constraining operations, leading to major new efforts to develop methodologies and infrastructures to enable continued aviation growth through transformational air traffic management systems. Such a transformation requires better communications linking airborne and ground-based elements. Technologies for next-generation communications, the required capacities, frequency spectrum of operation, network interconnectivity, and global interoperability are now receiving increased attention. A number of major planning and development efforts have taken place or are in process now to define the transformed airspace of the future. These activities include government and industry led efforts in the United States and Europe, and by international organizations. This paper will review the features, approaches, and activities of several representative planning and development efforts, and identify the emerging global consensus on requirements of next generation aeronautical communications systems for air traffic control.

Kerczewski, Robert J.↗
NASA NTRS2008

Evaluation of Vapor Pressure and Ultra-High Vacuum Tribological Properties of Ionic Liquids (2) Mixtures and Additives

Ionic liquids are salts, many of which are typically viscous fluids at room temperature. The fluids are characterized by negligible vapor pressures under ambient conditions. These properties have led us to study the effectiveness of ionic liquids containing both organic cations and anions for use as space lubricants. In the previous paper we have measured the vapor pressure and some tribological properties of two distinct ionic liquids under simulated space conditions. In this paper we will present vapor pressure measurements for two new ionic liquids and friction coefficient data for boundary lubrication conditions in a spiral orbit tribometer using stainless steel tribocouples. In addition we present the first tribological data on mixed ionic liquids and an ionic liquid additive. Post mortem infrared and Raman analysis of the balls and races indicates the major degradation pathway for these two organic ionic liquids is similar to those of other carbon based lubricants, i.e. deterioration of the organic structure into amorphous graphitic carbon. The coefficients of friction and lifetimes of these lubricants are comparable to or exceed these properties for several commonly used space oils.

Morales, Wilfredo↗
NASA NTRS2017

Asteroid Generated Tsunami Workshop: Summary of NASA/NOAA Workshop

A two-day workshop on tsunami generated by asteroid impacts in the ocean resulted in a broad consensus that the asteroid impact tsunami threat is not as great as previously thought, that airburst events in particular are unlikely to produce significant damage by tsunami, and that the tsunami contribution to the global ensemble impact hazard is substantially less than the contribution from land impacts. The workshop, led by Ethiraj Venkatapathy and David Morrison of NASA Ames, was organized into three sessions: 1) Near-field wave generation by the impact; 2) Long distance wave propagation; 3) Damage from coastal run-up and inundation, and associated hazard. Workshop approaches were to compare simulations to understand differences in the results and gain confidence in the modeling for both formation and propagation of tsunami from asteroid impacts, and to use this information for preliminary global risk assessment. The workshop focus was on smaller asteroids (diameter less than 250m), which represent the most frequent impacts.

Asteroid↗
DOE OSTI2021

Three-Dimensional Modeling of the Explicit Chemistry of Organic Aerosols: Formation, Removal, and Comparison with Observations

The major goals of the project were to further our understanding of the formation of secondary organic aerosols (SOA) from major anthropogenic and biogenic precursors, and to evaluate the GECKO-A chemistry model in the context of three DOE-led field campaigns (GoAmazon, BBOP, and HI-SCALE) with the long-term objective of improving the treatment of organic gases and particles in three-dimensional regional and global models. The three field campaigns were selected to evaluate and improve specific aspects of GECKO-A: (i) GoAmazon to help quantify interactions of biogenic and anthropogenic emissions; (ii) BBOP to predict the UV-visible absorption properties of biomass burning aerosols (brown carbon) from explicit molecular properties; and (iii) HI-SCALE to evaluate new model components that include aqueous (cloud) processing of organic gases and aerosols.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Controlled dehumidification to extract clean water from a multicomponent gaseous mixture of organic contaminants

Rapid expansion of the unconventional oil and gas extraction has increased American energy independence, but also led to increased production of large amounts of contaminated water. Wastewater from the oil and gas industry contains a wide range of contaminants. Injecting such contaminated water into disposal wells or discharging it to the environment jeopardizes freshwater resources. Conventional and membrane-based wastewater treatment techniques are often not effective choices to treat highly contaminated wastewater; however, a suitable way to remove contaminants from wastewater is to selectively separate water in a process analogous to humidification-dehumidification (HDH). Only a few studies have investigated the use of HDH for wastewater treatment. In this study, a novel HDH system is introduced for treating highly contaminated water, such as oil and gas flowback and produced water. In this HDH process, a non-condensable gas, such as air, mixes with wastewater vapor to facilitate the separation of contaminants. As a result, clean water condenses from the multicomponent gaseous mixture while air carries organic contaminants out of the dehumidification section. A laboratory apparatus was constructed and experiments were performed to investigate the HDH process for wastewater treatment and to study the effects of flow dynamics including air flow rate on the composition of treated water. Different contaminants including benzene, toluene, 2-propanol and 2-butoxyethanol were tested. Experimental results showed that the system can be successfully applied for removing volatile and/or toxic organic contaminants from wastewater. A representative multicomponent mixture of fracking wastewater was successfully treated using the experimental setup and clean water with quality of 98.3% was obtained. It was revealed that increasing the air-to-vapor mass ratio improves purity of treated water. Quantitative analysis showed that by increasing the air-to-vapor mass ratio from 0.6 to 5.9, the fraction of separated 2-propanol through the air was improved from 43% to more than 96% of the initial amount. ASPEN software was employed to simulate equilibrium conditions. Finally, experimental results were observed to have lower mass fraction of residual contaminant in the treated water compared to equilibrium state.

42 ENGINEERING↗