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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Cation and anion topotactic transformations in cobaltite thin films leading to Ruddlesden-Popper phases.

Topotactic transformations involve structural changes between related crystal structures due to a loss or gain of material while retaining a crystallographic relationship. The perovskite oxide La0.7Sr0.3CoO3 (LSCO) is an ideal system for investigating phase transformations due to its high oxygen vacancy conductivity, relatively low oxygen vacancy formation energy, and strong coupling of the magnetic and electronic properties to the oxygen stoichiometry. While the transition between cobaltite perovskite and brownmillerite (BM) phases has been widely reported, further reduction beyond the BM phase lacks systematic studies. In this paper, we study the evolution of the physical properties of LSCO thin films upon exposure to highly reducing environments. We observe the rarely reported crystalline Ruddlesden-Popper phase, which involves the loss of both oxygen anions and cobalt cations upon annealing where the cobalt is found as isolated Co ions or Co nanoparticles. First-principles calculations confirm that the concurrent loss of oxygen and cobalt ions is thermodynamically possible through an intermediary BM phase. The strong correlation of the magnetic and electronic properties to the crystal structure highlights the potential of utilizing ion migration as a basis for emerging applications such as neuromorphic computing.

Chiu, I-Ting↗
DOE OSTI2023

Enabling Scalable VQE Simulation on Leading HPC Systems

Large-scale simulations of quantum circuits pose significant challenges, especially in the context of quantum chemistry, due to the number of qubits, circuit depth, and the number of circuits needed per problem. High-performance computing (HPC) systems offer massive computational capabilities that could help overcome these obstacles. We developed a high-performance quantum circuit simulator, called NWQ-Sim, and demonstrate its capability to simulate large quantum chemistry problems on NERSC's Perlmutter supercomputer. Integrating NWQ-Sim with XACC, we have executed QPE and VQE algorithms for downfolded quantum chemistry systems at unprecedented scales. Our work demonstrates the potential of leveraging HPC resources to advance quantum chemistry and other applications of near-term quantum devices.

Wang, Meng↗
DOE OSTI2021

Preventing leaching from lead water pipes with electrochemistry: an exploratory study

Toxic levels of lead leaching from ageing water distribution infrastructure affect over 5000 public drinking water systems in the US. Pipe replacement, the most effective solution to this problem, is prohibitively expensive. Additionally, chemical conditioning of drinking water using orthophosphates, although cost-effective, does not quickly stop lead leaching once it has started. We propose a novel approach to stop lead leaching: to rapidly form an insoluble scale within lead pipes using an external power supply. We report on the feasibility of this approach by first anodizing lead coupons and lead pipes reclaimed from a local water distribution using a phosphate electrolyte and different potentials, pH values, and phosphate concentrations. We subsequently exposed these anodized lead coupons and pipes to synthetic tap water to evaluate their lead leaching rates. We found that polarizing lead coupons in the presence of a 0.05 M phosphate solution decreased lead leaching by up to a 100-fold, relative to leaching from polished bare lead. Similarly, polarizing the reclaimed lead pipes (with a preexisting scale) decreased lead leaching from an average of 36 ppb to 7 ppb. These results were observed when applying potentials that favor Pb(IV) formation, which resulted in the buildup of PbO 2 and Pb 5 (PO 4 ) 3 OH in both lead coupons and pipes. Our findings indicate that this novel technology has the potential to rapidly decrease equilibrium lead levels in tap water below the EPA action limit of 15 ppb, and thus deserves further exploration.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Identifying schools at high-risk for elevated lead in drinking water using only publicly available data

Estimating the risk of lead contamination of schools' drinking water at the State level is a complex, important, and unexplored challenge. Variable water quality among water systems and changes in water chemistry during distribution affect lead dissolution rates from pipes and fittings. In addition, the locations of lead-bearing plumbing materials are uncertain. We tested the capability of six machine learning models to predict the likelihood of lead contamination of drinking water at the schools' taps using only publicly available datasets. The predictive features used in the models correspond to those with a proven correlation to the dominant, but commonly unavailable, factors that govern lead leaching: the presence of lead-bearing plumbing materials and water quality conducive to lead corrosion. By combining water chemistry data from public reports, socioeconomic information from the US census, and spatial features using Geographic Information Systems, we trained and tested models to estimate the likelihood of lead contaminated tap water in over 8,000 schools across California and Massachusetts. Our best-performing model was a Random Forest, with a 10-fold cross validation score of 0.88 for Massachusetts and 0.78 for California using the average Area Under the Receiver Operating Characteristic Curve (ROC AUC) metric. The model was then used to assign a lead leaching risk category to half of the schools across California (the other half was used for training). There was good agreement between the modeled risk categories and the actual lead leaching outcomes for every school; however, the model overestimated the lead leaching risk in up to 17% of the schools. This model is the first of its kind to offer a tool to predict the risk of lead leaching in schools at the State level. Further use of this model can help deploy limited resources more effectively to prevent childhood lead exposure from school drinking water.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗
DOE OSTI2025

Impacts of sea ice leads on sea salt aerosols and atmospheric chemistry in the Arctic

Abstract. The processes contributing to Arctic cold-season (November–April) sea salt aerosols (SSAs) remain uncertain. Observations from coastal Alaska suggest that emissions from open leads in sea ice, which are not included in climate models, may play a dominant role. Their Arctic-wide significance has not yet been quantified. Here, we create an emission parameterization of SSAs from leads by combining satellite data of lead area (the Advanced Microwave Scanning Radiometer–Earth Observation System (AMSR-E) product) and a chemical transport model (GEOS-Chem) to quantify pan-Arctic SSA emissions from leads during the cold season from 2002 to 2008 and to predict their impacts on atmospheric chemistry, evaluating the results of our simulated SSAs against in situ observations. The AMSR-E product detects large leads with certainty (> 3 km in size), and, hence, our study is limited to quantifying emissions from large leads. Lead emissions vary seasonally and interannually. Simulated total monthly SSA emissions increase by 1.1 %–1.8 % (≥60° N latitude) and 5.6 %–7.5 % (≥75° N) for the 2002–2008 cold seasons. SSA concentrations primarily increase at the location of leads, where standard model concentrations are low. GEOS-Chem overestimates SSA concentrations at Arctic sites compared to ground observations, even when lead emissions are not included, suggesting underestimation of SSA sinks and/or uncertainties in SSA emissions from blowing snow and the open ocean. Multi-year monthly mean surface bromine atom (Br) concentrations increase by 2.8 %–8.8 % due to SSAs from leads for the 2002–2008 cold seasons. Changes in ozone concentrations are negligible. While leads contribute < 10 % to Arctic-wide SSA emissions in the years 2002–2008, these emissions occur in regions of low background aerosol concentrations. Leads may increase in frequency under future climate change, which could increase SSA emissions from leads.

Emme, Erin J. (ORCID:0000000268406352)↗
DOE OSTI2021

Leading jets and energy loss

The formation and evolution of leading jets can be described by jet functions which satisfy non-linear DGLAP-type evolution equations. Different than for inclusive jets, the leading jet functions constitute normalized probability densities for the leading jet to carry a longitudinal momentum fraction relative to the initial fragmenting parton. We present a parton shower algorithm which allows for the calculation of leading-jet cross sections where logarithms of the jet radius and threshold logarithms are resummed to next-to-leading logarithmic (NLL') accuracy. By calculating the mean of the leading jet distribution, we are able to quantify the average out-of-jet radiation, the so-called jet energy loss. When an additional reference scale is measured, we are able to determine the energy loss of leading jets at the cross section level which is identical to parton energy loss at leading-logarithmic accuracy. We identify several suitable cross sections for an extraction of the jet energy loss and we present numerical results for leading subjets at the LHC. In addition, we consider hemisphere and event-wide leading jets in electron-positron annihilation similar to measurements performed at LEP. Besides the average energy loss, we also consider its variance and other statistical quantities such as the KL divergence which quantifies the difference between quark and gluon jet energy loss. We expect that our results will be particularly relevant for quantifying the energy loss of quark and gluon jets that propagate through hot or cold nuclear matter.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

On-device lead sequestration for perovskite solar cells

Perovskite solar cells, as an emerging high-efficiency and low-cost photovoltaic technology face challenges on their way towards commercialization. Substantial improvements have been made to device stability but potential issues with lead toxicity and leaching from devices remain relatively unexplored. The potential for lead leakage could be perceived as an environmental and public health risk when using perovskite solar cells in building-integrated photovoltaics. Here we present a chemical approach for on-device sequestration of more than 96 per cent of lead leakage caused by severe device damage. A coating of lead-absorbing material is applied to the front and back sides of the device stack. On the glass side of the front transparent conducting electrode, we use a transparent lead-absorbing molecular film containing phosphonic acid groups that bind strongly to lead. On the back (metal) electrode side, we place a polymer film blended with lead-chelating agents between the metal electrode and a standard photovoltaic packing film. The lead-absorbing films on both sides swell to absorb the lead, rather than dissolve, when subjected to water soaking, thus retaining structural integrity for easy collection of lead after damage.

14 SOLAR ENERGY↗
DOE OSTI2024

Lead Service Line Inventory at the Materials and Fuels Complex

In 1986, Congress amended the Safe Drinking Water Act prohibiting the use of lead in pipes for providing water. This was due to research on lead poisoning showing lead was extremely detrimental to the development of kids and cognitive abilities in adults. Now, because of the amendment of 1986, the EPA 2021 Lead and Copper Rule Revision came out since then to promote progress in the inventory and elimination of lead pipes. The Idaho Department of Environmental Quality(IDEQ) adopted this rule for the state which means every water system in Idaho fall under the new regulation. By October 16, 2024, the INL must report to the IDEQ, the pipe materials in a Lead Service Line Inventory(LSLI) in hopes of finding lead. If lead is found, a Lead Service Line Replacement Plan is required. This poster only specifically talks about the results for the largest site out on the desert, Materials and Fuels Complex(MFC), as the INL also consists of ATR, INTEC, SMC, and CFA.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

A RELAP5-3D Model of the Lobo Lead Loop

The goal of our research is to build upon the capability of RELAP5-3D to model molten lead systems. Molten lead has several potential uses in future advanced reactors like the lead fast reactor or fusion reactors that utilize dual-coolant lead lithium blankets. This potential for use in future generations of reactors highlights the necessity to develop molten lead models to ensure that they can accurately predict the thermohydraulic behavior. We have developed a RELAP5-3D model of the Lobo Lead Loop facility, located at the University of New Mexico, to verify the accuracy of RELAP5-3D via comparison to existing computational fluid dynamics results and analytical calculations. It was found that RELAP5-3D accurately calculated radiative heat transfer (within < 1%) when compared to theoretical calculations. In addition, pressure drop calculations done in RELAP5-3D demonstrated reasonable agreement within 20 kPa, mostly within ~7-15%, when compared to the computational fluid dynamics model of the facility developed by the University of New Mexico, and captured the dependence of pressure drop on flow velocity accurately. Finally, a hypothetical loss of flow transient was imposed on the RELAP5-3D model to determine the feasibility of performing a similar experiment with the Lobo Lead Loop. It was found that such an experiment could be possible as the RELAP5-3D model indicated that the temperatures of the fluid would not exceed limiting temperatures of the structure (1658 K) nor the maximum temperature of the electromagnetic pump inlet (823 K). Although there is not experimental data to begin validation, the model will be readily available for future validation studies when the experimental data is generated, especially as the model continues to evolve over time. Furthermore, the results so far demonstrate a promising first step in the verification/validation of the RELAP5-3D model of the Lobo Lead Loop.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Low-Income Energy Affordability Data - LEAD Tool - 2022 Update

The Low-Income Energy Affordability Data (LEAD) Tool was created by the Better Building's Clean Energy for Low Income Communities Accelerator (CELICA) to help state and local partners understand housing and energy characteristics for the low- and moderate-income (LMI) communities they serve. The LEAD Tool provides estimated LMI household energy data based on income, energy expenditures, fuel type, housing type, and geography, which stakeholders can use to make data-driven decisions when planning for their energy goals. From the LEAD Tool website, users can also create and download customized heat-maps and charts for various geographies, housing, energy characteristics, and population demographics and educational attainment. Datasets are available for 50 states plus Puerto Rico and Washington D.C., along with their cities, counties, and census tracts, as well as tribal areas. The file below, "01. Description of Files," provides a list of all files included in this dataset. A description of the abbreviations and units used in the LEAD Tool data can be found in the file below titled "02. Data Dictionary 2022". A list of geographic regions used in the LEAD Tool can be found in files 04-11. The Low-Income Energy Affordability Data comes primarily from the 2022 U.S. Census American Community Survey 5-Year Public Use Microdata Samples and is calibrated to 2022 U.S. Energy Information Administration electric utility (Survey Form-861) and natural gas utility (Survey Form-176) data. The methodology for the LEAD Tool can viewed below (3. Methodology Document). For more information, and to access the interactive LEAD Tool platform, please visit the "10. LEAD Tool Platform" resource link below. For more information on the Better Building's Clean Energy for Low Income Communities Accelerator (CELICA), please visit the "11. CELICA Website" resource below.

AMI↗
DOE OSTI2021

Lead tolerance and bioremoval by four strains of green algae from Nigerian fish ponds

Heavy metals from industry pose threats to human and environmental health. Microalgae are prime candidates to remove heavy metals from water and soil due to their metal-binding affinities, high growth rates, and contamination tolerance. Strain selection and composition of resulting contaminated biomass must be considered for downstream processing. In this study, we assessed the ability of four microalgae strains (Chlorophyceae) that were isolated from contaminated Nigerian fish ponds to take up dissolved lead at environmentally relevant concentrations (<0.05 mg L -1 – WHO standard). In a microplate assay, all strains grew in the presence of lead, tolerating concentrations up to 60 ppm, though the addition of dissolved lead affected the growth of the four strains. In a photobioreactor assay, all strains demonstrated the ability to take up dissolved lead, with removal efficiencies ranging from 86 to 93%. The concentrations of lead in contaminated biomass, removal efficiencies, and bioconcentration factors were greatest in one of the isolates Chlorella sp. MOW 12. Our results reinforce the fact that live microalgae have a greater biosorption capacity. Lead recovery from freeze-dried biomass using five different reagents showed that a 0.1 M hydrochloric acid solution was the most effective, with 83.4% recovery. We also showed that presence of lead in the culture medium resulted in an increase in the quantity of protein in the biomass. Elemental analysis of lead-bound biomass showed an increase in elements including boron and copper and a decrease in cobalt and sodium. Synergystic and antagonystic effect in uptake of other elements was strain specific, suggesting the possibility of tailored wastewater treatments depending on specific requirements.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Variation of lead isotopic composition and atomic weight in terrestrial materials (IUPAC Technical Report)

The isotopic composition and atomic weight of lead are variable in terrestrial materials because its three heaviest stable isotopes are stable end-products of the radioactive decay of uranium ( 238 U to 206 Pb; 235 U to 207 Pb) and thorium ( 232 Th to 208 Pb). The lightest stable isotope, 204 Pb, is primordial. These variations in isotope ratios and atomic weights provide useful information in many areas of science, including geochronology, archaeology, environmental studies, and forensic science. While elemental lead can serve as an abundant and homogeneous isotopic reference, deviations from the isotope ratios in other lead occurrences limit the accuracy with which a standard atomic weight can be given for lead. In a comprehensive review of several hundred publications and analyses of more than 8000 samples, published isotope data indicate that the lowest reported lead atomic weight of a normal terrestrial materials is 206.1462 ± 0.0028 (k = 2), determined for a growth of the phosphate mineral monazite around a garnet relic from an Archean high-grade metamorphic terrain in north-western Scotland, which contains mostly 206 Pb and almost no 204 Pb. The highest published lead atomic weight is 207.9351 ± 0.0005 (k = 2) for monazite from a micro-inclusion in a garnet relic, also from a high-grade metamorphic terrain in north-western Scotland, which contains almost pure radiogenic 208 Pb. When expressed as an interval, the lead atomic weight is [206.14, 207.94]. It is proposed that a value of 207.2 be adopted for the single lead atomic-weight value for education, commerce, and industry, corresponding to previously published conventional atomic-weight values.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗