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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Impacts of Solvent Washing on the Electrochemical Remediation of Commercial End-of-Life Cathodes

Changes to surface structure and chemistry occurring throughout the functional lifetime of lithium-ion batteries (LIBs) may impact the effectiveness of end-of-life rejuvenation methods. Solvent washing prior to electrochemical relithiation is shown to both increase relithiation efficacy and beneficially alter the interfacial chemistry of heavily degraded industrial cathode material. Four common solvents (acetone, diethyl carbonate, isopropyl alcohol, propylene carbonate) are employed to investigate the role of varying physicochemical solvent properties on the mechanism of capacity recovery. Electrochemical (dQ/dV, EIS), structural (XRD), and chemical (SPME-GC-MS) analysis techniques are employed to comprehensively analyze solvent-cathode interactions. Highly nucleophilic solvents (acetone, DEC) are found to reduce cathode charge-transfer impedance and enable stable impedance growth throughout subsequent cycling. The use of nucleophilic solvents under mechanically aggressive washing conditions may also enable the reintroduction of bulk lattice oxygen, thereby restoring anionic redox capacity. Further, the four solvents are found to selectively remove a subset of surface species from the aged cathode material, including residual electrolyte, additives, and electrolyte-additive reaction products, which are qualitatively analyzed. Surface species removal by each solvent is correlated with the electrochemical performance of the correspondingly washed cathode, highlighting the importance of an optimized washing protocol to effective remediation in the context of direct LIB recycling. For the material under study, the use of a simple acetone washing protocol prior to electrochemical relithiation enables up to 174% capacity recovery relative to unwashed/relithiated black mass.

ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2023

One thousand soils for molecular understanding of belowground carbon cycling

While significant progress has been made in understanding global carbon (C) cycling, the mechanisms regulating belowground C fluxes and storage are still uncertain. New molecular technologies have the power to elucidate these processes, yet we have no widespread standardized implementation of molecular techniques. To address this gap, we introduce the Molecular Observation Network (MONet), a decadal vision from the Environmental Molecular Sciences Laboratory (EMSL), to develop a national network for understanding the molecular composition, physical structure, and hydraulic and biological properties of soil and water. These data are essential for advancing the next generation of multiscale Earth systems models. In this paper, we discuss the 1000 Soils Pilot for MONet, including a description of standardized sampling materials and protocols and a use case to highlight the utility of molecular-level and microstructural measurements for assessing the impacts of wildfire on soil. While the 1000 Soils Pilot generated a plethora of data, we focus on assessments of soil organic matter (SOM) chemistry via Fourier-transform ion cyclotron resonance-mass spectrometry and microstructural properties via X-ray computed tomography to highlight the effects of recent fire history in forested ecosystems on belowground C cycling. We observed decreases in soil respiration, microbial biomass, and potential enzyme activity in soils with high frequency burns. Additionally, the nominal oxidation state of carbon in SOM increased with burn frequency in surface soils. This results in a quantifiable shift in the molecular signature of SOM and shows that wildfire may result in oxidation of SOM and structural changes to soil pore networks that persist into deeper soils.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2000

Design and Testing of a 2-Hour Oxygen Prebreathe Protocol for Space Walks from the International Space Station

To develop and test a 2-hour prebreathe protocol for performing extravehicular activities (EVAs) from the International Space Station (ISS). Combinations of adynamia (non-walking), prebreathe exercise, and space suit donning options (10.2 vs. 14.7 psi) were evaluated, against timeline and consumable contraints to develop an operational 2- hour prebreathe protocol. Prospective accept/reject criteria were defined for decompression sickness (DCS) and venous gas emboli (VGE) from analysis of historical DCS data, combined with risk management of DCS under ISS mission circumstances. Maximum operational DCS levels were defined based on protecting for EVA capability with two crew-members at 95% confidence, throughout ISS lifetime (within the constraints of NASA DCS disposition policy JPG 1800.3). The accept/reject limits were adjusted for greater safety based on analysis of related medical factors. Monte-Carlo simulation was performed to design a closed sequential, multi-center human trial. Protocols were tested with 4 different prebreathe exercises (Phases I-IV), prior to exposure to 4.3 psi for 4 hrs. Subject selection, Doppler monitoring for VGE, test termination criteria, and DCS definitions were standardized. Phase I: upper and lower body exercises using dual-cycle ergometry (75% VO2 max for 10 min). Phase II: ergometry plus 24 min of light exercise (simulating space-suit preparations). Phase III: same 24 min of light exercise but no ergometry, and Phase IV: 56 min of light exercise without ergometry. A prebreathe procedure was accepted if, at 95% confidence, the incidence of DCS was less than 15% (with no Type II DCS), and Grade IV VGE was less than 20%.

Gernhardt, Michael L.↗
DOE OSTI2024

Investigating explainable transfer learning for battery lifetime prediction under state transitions

Battery lifetime prediction at early cycles is crucial for researchers and manufacturers to examine product quality and promote technology development. Machine learning has been widely utilized to construct data-driven solutions for high-accuracy predictions. However, the internal mechanisms of batteries are sensitive to many factors, such as charging/discharging protocols, manufacturing/storage conditions, and usage patterns. These factors will induce state transitions, thereby decreasing the prediction accuracy of data-driven approaches. Transfer learning is a promising technique that overcomes this difficulty and achieves accurate predictions by jointly utilizing information from various sources. Hence, we develop two transfer learning methods, Bayesian Model Fusion and Weighted Orthogonal Matching Pursuit, to strategically combine prior knowledge with limited information from the target dataset to achieve superior prediction performance. From our results, our transfer learning methods reduce root-mean-squared error by 41% through adapting to the target domain. Furthermore, the transfer learning strategies identify the variations of impactful features across different sets of batteries and therefore disentangle the battery degradation mechanisms and the root cause of state transitions from the perspective of data mining. These findings suggest that the transfer learning strategies proposed in our work are capable of acquiring knowledge across multiple data sources for solving specialized issues.

25 ENERGY STORAGE↗
NASA NTRS1991

Review of Estelle and LOTOS with respect to critical computer applications

Man rated NASA space vehicles seem to represent a set of ultimate critical computer applications. These applications require a high degree of security, integrity, and safety. A variety of formal and/or precise modeling techniques are becoming available for the designer of critical systems. The design phase of the software engineering life cycle includes the modification of non-development components. A review of the Estelle and LOTOS formal description languages is presented. Details of the languages and a set of references are provided. The languages were used to formally describe some of the Open System Interconnect (OSI) protocols.

Bown, Rodney L.↗
NASA NTRS1992

RT-Syn: A real-time software system generator

This paper presents research into providing highly reusable and maintainable components by using automatic software synthesis techniques. This proposal uses domain knowledge combined with automatic software synthesis techniques to engineer large-scale mission-critical real-time software. The hypothesis centers on a software synthesis architecture that specifically incorporates application-specific (in this case real-time) knowledge. This architecture synthesizes complex system software to meet a behavioral specification and external interaction design constraints. Some examples of these external constraints are communication protocols, precisions, timing, and space limitations. The incorporation of application-specific knowledge facilitates the generation of mathematical software metrics which are used to narrow the design space, thereby making software synthesis tractable. Success has the potential to dramatically reduce mission-critical system life-cycle costs not only by reducing development time, but more importantly facilitating maintenance, modifications, and extensions of complex mission-critical software systems, which are currently dominating life cycle costs.

Setliff, Dorothy E.↗
NASA NTRS2005

Trends from the Long-term Data Record and Models: What Do They Tell Us About our Ability to Predict Ozone Recovery?

Our industrial society has performed an experiment on the stratospheric ozone layer over the last several decades. The initial part of this experiment was the rapidly increasing release of halogen-containing compounds that carry chlorine and bromine to the stratosphere where they can cause a loss of ozone. The present part of this experiment is the implementation of the Montreal Protocol, which has led to a leveling off of these halogen compounds and the beginning of their slow removal from the atmosphere. The observation and attribution of ozone response to the halogens has been a particularly important and difficult task because of the impact of solar cycle uv variation, two major volcanic eruptions (El Chichon and Pinatubo), and interannual dynamic variability of the stratosphere. We have run 3 different simulations of the chemistry and transport of ozone and the minor constituents that affect ozone to help evaluate our understanding of the causes of ozone change and to assess our ability to predict ozone recovery with the removal of halogens from the stratosphere. One simulation, using the Goddard chemical transport model (CTM), had interannual variability in the dynamics for the entire 50 years of simulation, which included the past 3 decades (1974-2004) and the next 2 decades to 2022. The other two simulations used the Global Modeling Initiative (GMI) CTM with no dynamical variability: one used a the winds and temperatures from a repeating warm Arctic winter and the other used a repeating cold Arctic winter. All simulations included the effects of aerosol surfaces from volcanic eruptions on chemical reactions as well as the variation in UV over the 11-year solar cycle.

Strahan, Susan↗
NASA NTRS1993

Vacillation Made Easy: Distribution, Re-distribution, and Un-distribution of DOPL-based Processing

Distributed Objects Protocol Layer, or DOPL, Provides a simple and general data communication abstraction that can support the distribution of C++ applications software functionality among an arbitrary collection of processors. The purposed of the abstraction is to minimize the cost of revising processing distribution decisions throughout the software development cycle, including after software has beed delivered to users.

Vacillation↗
DOE OSTI2022

Marine Microeukaryote Metatranscriptomics: Sample Processing and Bioinformatic Workflow Recommendations for Ecological Applications

Microeukaryotes (protists) serve fundamental roles in the marine environment as contributors to biogeochemical nutrient cycling and ecosystem function. Their activities can be inferred through metatranscriptomic investigations, which provide a detailed view into cellular processes, chemical-biological interactions in the environment, and ecological relationships among taxonomic groups. Established workflows have been individually put forth describing biomass collection at sea, laboratory RNA extraction protocols, and bioinformatic processing and computational approaches. Here, we present a compilation of current practices and lessons learned in carrying out metatranscriptomics of marine pelagic protistan communities, highlighting effective strategies and tools used by practitioners over the past decade. We anticipate that these guidelines will serve as a roadmap for new marine scientists beginning in the realms of molecular biology and/or bioinformatics, and will equip readers with foundational principles needed to delve into protistan metatranscriptomics.

Cohen, Natalie R.↗
NASA NTRS2005

New Directions in Space Operations Services in Support of Interplanetary Exploration

To gain access to the necessary operational processes and data in support of NASA's Lunar/Mars Exploration Initiative, new services, adequate levels of computing cycles and access to myriad forms of data must be provided to onboard spacecraft and ground based personnel/systems (earth, lunar and Martian) to enable interplanetary exploration by humans. These systems, cycles and access to vast amounts of development, test and operational data will be required to provide a new level of services not currently available to existing spacecraft, on board crews and other operational personnel. Although current voice, video and data systems in support of current space based operations has been adequate, new highly reliable and autonomous processes and services will be necessary for future space exploration activities. These services will range from the more mundane voice in LEO to voice in interplanetary travel which because of the high latencies will require new voice processes and standards. New services, like component failure predictions based on data mining of significant quantities of data, located at disparate locations, will be required. 3D or holographic representation of onboard components, systems or family members will greatly improve maintenance, operations and service restoration not to mention crew morale. Current operational systems and standards, like the Internet Protocol, will not able to provide the level of service required end to end from an end point on the Martian surface like a scientific instrument to a researcher at a university. Ground operations whether earth, lunar or Martian and in flight operations to the moon and especially to Mars will require significant autonomy that will require access to highly reliable processing capabilities, data storage based on network storage technologies. Significant processing cycles will be needed onboard but could be borrowed from other locations either ground based or onboard other spacecraft. Reliability will be a key factor with onboard and distributed backup processing an absolutely necessary requirement. Current cluster processing/Grid technologies may provide the basis for providing these services. An overview of existing services, future services that will be required and the technologies and standards required to be developed will be presented. The purpose of this paper will be to initiate a technological roadmap, albeit at a high level, of current voice, video, data and network technologies and standards (which show promise for adaptation or evolution) to what technologies and standards need to be redefined, adjusted or areas where new ones require development. The roadmap should begin the differentiation between non manned and manned processes/services where applicable. The paper will be based in part on the activities of the CCSDS Monitor and Control working group which is beginning the process of standardization of the these processes. Another element of the paper will be based on an analysis of current technologies supporting space flight processes and services at JSC, MSFC, GSFC and to a lesser extent at KSC. Work being accomplished in areas such as Grid computing, data mining and network storage at ARC, IBM and the University of Alabama at Huntsville will be researched and analyzed.

Bradford, Robert N.↗
DOE OSTI2021

Annealing of focused ion beam damage in gold microcrystals: an in situ Bragg coherent X-ray diffraction imaging study

Focused ion beam (FIB) techniques are commonly used to machine, analyse and image materials at the micro- and nanoscale. However, FIB modifies the integrity of the sample by creating defects that cause lattice distortions. Methods have been developed to reduce FIB-induced strain; however, these protocols need to be evaluated for their effectiveness. Here, non-destructive Bragg coherent X-ray diffraction imaging is used to study the in situ annealing of FIB-milled gold microcrystals. Two non-collinear reflections are simultaneously measured for two different crystals during a single annealing cycle, demonstrating the ability to reliably track the location of multiple Bragg peaks during thermal annealing. The thermal lattice expansion of each crystal is used to calculate the local temperature. This is compared with thermocouple readings, which are shown to be substantially affected by thermal resistance. To evaluate the annealing process, each reflection is analysed by considering facet area evolution, cross-correlation maps of the displacement field and binarized morphology, and average strain plots. The crystal's strain and morphology evolve with increasing temperature, which is likely to be caused by the diffusion of gallium in gold below ~280°C and the self-diffusion of gold above ~280°C. The majority of FIB-induced strains are removed by 380–410°C, depending on which reflection is being considered. These observations highlight the importance of measuring multiple reflections to unambiguously interpret material behaviour.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Magnetotactic Bacteria Accumulate a Large Pool of Iron Distinct from Their Magnetite Crystals

ABSTRACT Magnetotactic bacteria (MTB) are ubiquitous aquatic microorganisms that form intracellular nanoparticles of magnetite (Fe 3 O 4 ) or greigite (Fe 3 S 4 ) in a genetically controlled manner. Magnetite and greigite synthesis requires MTB to transport a large amount of iron from the environment. Most intracellular iron was proposed to be contained within the crystals. However, recent mass spectrometry studies suggest that MTB may contain a large amount of iron that is not precipitated in crystals. Here, we attempted to resolve these discrepancies by performing chemical and magnetic assays to quantify the different iron pools in the magnetite-forming strain Magnetospirillum magneticum AMB-1, as well as in mutant strains showing defects in crystal precipitation, cultivated at various iron concentrations. All results show that magnetite represents at most 30% of the total intracellular iron under our experimental conditions and even less in the mutant strains. We further examined the iron speciation and subcellular localization in AMB-1 using the fluorescent indicator FIP-1, which was designed for the detection of labile Fe(II). Staining with this probe suggests that unmineralized reduced iron is found in the cytoplasm and associated with magnetosomes. Our results demonstrate that, under our experimental conditions, AMB-1 is able to accumulate a large pool of iron distinct from magnetite. Finally, we discuss the biochemical and geochemical implications of these results. IMPORTANCE Magnetotactic bacteria (MTB) produce iron-based intracellular magnetic crystals. They represent a model system for studying iron homeostasis and biomineralization in microorganisms. MTB sequester a large amount of iron in their crystals and have thus been proposed to significantly impact the iron biogeochemical cycle. Several studies proposed that MTB could also accumulate iron in a reservoir distinct from their crystals. Here, we present a chemical and magnetic methodology for quantifying the iron pools in the magnetotactic strain AMB-1. Results showed that most iron is not contained in crystals. We then adapted protocols for the fluorescent Fe(II) detection in bacteria and showed that iron could be detected outside crystals using fluorescence assays. This work suggests a more complex picture for iron homeostasis in MTB than previously thought. Because iron speciation controls its fate in the environment, our results also provide important insights into the geochemical impact of MTB.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Performance Test Code for Determining and Reporting Annual Heat Rate and CO2 for Coal Fueled EGUs

This material is based upon work supported by the Department of Energy under Award Number DEFE0031933. The US Department of Energy (DOE) has retained the services of ASME Standards Technology LLC (ASME ST-LLC) to develop a standardized test method and calculation protocol for determining and reporting annual/long-term heat rate for coal-fueled plants electricity generating units. ASME ST-LLC has retained the services of McHale & Associates, Inc. and Licata Energy & Environmental Consultants, Inc. to provide the technical input to this study. This code applies to hydrocarbon fueled Rankine cycle power generating facilities of any size. It is intended to be used for the determination of continuous power output and heat rate of a generating facility in its operating load cycle and in its operational lineup during the reporting period.

01 COAL, LIGNITE, AND PEAT↗
NASA NTRS2009

The UAH/NSSTC Advanced Radar for Meteorological and Operational Research (ARMOR)

The past four years have seen a marked enhancement in meteorological-radar infrastructure and radar-research capability at the University of Alabama-Huntsville (UAH) and National Space Science and Technology Center (NSSTC; a collaborative center supported by UAH, NASA-MSFC and USRA). This enhancement is due in part to the development of the ARMOR C-band dual-polarimetric radar facility (amongst other mobile radar facilities also discussed in this conference). The ARMOR radar, located at Huntsville International Airport, originated as a unique collaboration between university, government and broadcast meteorologists (the very first of its kind relative to concurrent operational, research and broadcast applications of dual-polarimetry). Contributions from each of these entities resulted in the upgrade of a surplus National Weather Service WSR-74C radar to a research-grade C-band polarimetric radar. The initial upgrade of the radar took place in late 2004 with WHNT-TV purchase and installation of a SIGMET (now Vaisala) Antenna Mounted Receiver (AMR), RVP8/RCP8 radar processor/antenna controller, new radome, and a new dual-polarimetric antenna feed. The AMR enabled simultaneous transmit and receive (STSR) capability and hence collection of dual-polarimetric moments. During the initial part of the AMR upgrade the original WSR74C antenna reflector and 250 kW magnetron-transmitter were used. In early 2005, a new 350 kW magnetron transmitter was purchased from Baron Services and installed. In October of 2006 a new high performance parabolic antenna and dual-pol feed (Seavey) were installed together with a new Orbit pedestal. ARMOR Radar control and data delivery are facilitated through the use of T-1 lines that run from the airport to both NSSTC and WHNT-TV in Huntsville. Under current operating protocols radar scanning and product development are completed at NSSTC, though meteorologists at WHNT-TV can also control the radar if desired. In its default scanning configuration the radar is operated 24/7 in an STSR polarimetric rain scan mode alternating with a surveillance scan on a 5-minute cycle; scans separated by 2.5 minutes. Every 2.5 minutes the raw data arrive at NSSTC where they are corrected in real time for attenuation and differential attenuation (using a constrained ZDR/Z-PHI approach) and new products are generated (e.g., rain maps, hydrometeor identification etc.). The raw and derived products are archived at NSSTC and also redistributed locally in real time over the network within NSSTC to the National Weather Service Forecast Office in Huntsville (collocated with NSSTC) for operational use. During periods of interesting weather the radar is often operated in full, sector, or RHI volume modes from NSSTC and coincident with UAH mobile radar or NWS NEXRAD radar platforms as needed.

Petersen, Walter A.↗
NASA NTRS2017

Concerns for Ozone Recovery

Reactive halogen gases containing chlorine (Cl) or bromine (Br) can destroy stratospheric ozone via catalytic cycles. The main sources of atmospheric reactive halogen are the long-lived synthetic chlorofluorocarbons (CFCs), hydrochlorofluorocarbons (HCFCs), carbon tetrachloride (CCl4), methyl chloroform (CH3CCl3), and bromine-containing halons, all of which persist in the atmosphere for years. These ozone-depleting substances are now controlled under the Montreal Protocol and its amendments. Natural methyl bromide (CH3Br) and methyl chloride (CH3Cl) emissions are also important long-lived sources of atmospheric reactive halogen. Rising concentrations of very-short-lived substances (VSLSs) with atmospheric lifetimes of less than half a year may also contribute to future stratospheric ozone depletion. A greater concern for ozone layer recovery is incomplete compliance with the Montreal Protocol, which will impact stratospheric ozone for many decades, as well as rising natural emissions as a result of climate change.

VSLS↗
DOE OSTI2023

Standardized Data to Improve Understanding and Modeling of Soil Nitrogen at Continental Scale

Abstract Nitrogen (N) is a key limiting nutrient in terrestrial ecosystems, but there remain critical gaps in our ability to predict and model controls on soil N cycling. This may be in part due to lack of standardized sampling across broad spatial–temporal scales. Here, we introduce a continentally distributed, publicly available data set collected by the National Ecological Observatory Network (NEON) that can help fill these gaps. First, we detail the sampling design and methods used to collect and analyze soil inorganic N pool and net flux rate data from 47 terrestrial sites. We address methodological challenges in generating a standardized data set, even for a network using uniform protocols. Then, we evaluate sources of variation within the sampling design and compare measured net N mineralization to simulated fluxes from the Community Earth System Model 2 (CESM2). We observed wide spatiotemporal variation in inorganic N pool sizes and net transformation rates. Site explained the most variation in NEON’s stratified sampling design, followed by plots within sites. Organic horizons had larger pools and net N transformation rates than mineral horizons on a sample weight basis. The majority of sites showed some degree of seasonality in N dynamics, but overall these temporal patterns were not matched by CESM2, leading to poor correspondence between observed and modeled data. Looking forward, these data can reveal new insights into controls on soil N cycling, especially in the context of other environmental data sets provided by NEON, and should be leveraged to improve predictive modeling of the soil N cycle.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Ensemble Simulations and Experimental Free Energy Distributions: Evaluation and Characterization of Isoxazole Amides as SMYD3 Inhibitors

Optimization of binding affinities for ligands to their target protein is a primary objective in rational drug discovery. Herein, we report on a collaborative study that evaluates various compounds designed to bind to the SET and MYND domain-containing protein 3 (SMYD3). SMYD3 is a histone methyltransferase and plays an important role in transcriptional regulation in cell proliferation, cell cycle, and human carcinogenesis. Experimental measurements using the scintillation proximity assay show that the distributions of binding free energies from a large number of independent measurements exhibit non-normal properties. We use ESMACS (enhanced sampling of molecular dynamics with approximation of continuum solvent) and TIES (thermodynamic integration with enhanced sampling) protocols to predict the binding free energies and to provide a detailed chemical insight into the nature of ligand-protein binding. Our results show that the 1-trajectory ESMACS protocol works well for the set of ligands studied here. Although one unexplained outlier exists, we obtain excellent statistical ranking across the set of compounds from the ESMACS protocol and good agreement between calculations and experiments for the relative binding free energies from the TIES protocol. ESMACS and TIES are again found to be powerful protocols for the accurate comparison of the binding free energies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Bayesian optimized collection strategies for fatigue strength testing

Abstract A statistical framework is presented enabling optimal sampling and analysis of constant life fatigue data. Protocols using Bayesian maximum entropy sampling are built based on conventional staircase and stress step methods, reducing the requirement of prior knowledge for data collection. The Bayesian Staircase method shows improved parameter estimation efficiency, and the Bayesian Stress Step method shows equal accuracy to the standard method at larger step size allowing experimentalists to lessen concerns of loading history. Statistical methods for determining model suitability are shown, highlighting the influence of protocol. Experimental validation is performed, showing the applicability of the methods in laboratory testing.

36 MATERIALS SCIENCE↗