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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 OSTI2023

COVID-19 Lead Time: Evaluating the timeliness and reliability of reported COVID-19 cases and hospitalizations as leading indicators of hospitalizations and death in the US

The COVID-19 pandemic prompted a reliance on real-time data sources to understand the global spread and impact of the SARS-CoV-2 virus. Reported cases were presumed leading indicators for hospitalizations, while hospitalizations were considered predictive of deaths. However, studies have questioned the consistency of reported cases as leading indicators. This study systematically assesses the reliability of United States (US) reported cases and hospitalizations as leading indicators for hospitalizations and deaths respectively, examining the first 2.5 years of the pandemic (January 2020 - June 2022) across different phases of the pandemic and states. Using correlation analysis, population data, and forecasting accuracy measures, we investigate the temporal relationships and identify possible determinants of lead time variability. Notably, we found that the average lead time between reported cases and hospitalizations across US states is relatively short at 1.76 days, implying that reported cases might not be as effective a leading indicator for hospitalizations as previously believed. Populations with higher comorbidity burdens, such as proportion of smokers, are expected on average to have shorter lead times, possibly due to shorter time to hospitalization among these vulnerable populations.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Challenges of COVID-19 Case Forecasting in the US, 2020–2021

During the COVID-19 pandemic, forecasting COVID-19 trends to support planning and response was a priority for scientists and decision makers alike. In the United States, COVID-19 forecasting was coordinated by a large group of universities, companies, and government entities led by the Centers for Disease Control and Prevention and the US COVID-19 Forecast Hub ( https://covid19forecasthub.org ). We evaluated approximately 9.7 million forecasts of weekly state-level COVID-19 cases for predictions 1–4 weeks into the future submitted by 24 teams from August 2020 to December 2021. We assessed coverage of central prediction intervals and weighted interval scores (WIS), adjusting for missing forecasts relative to a baseline forecast, and used a Gaussian generalized estimating equation (GEE) model to evaluate differences in skill across epidemic phases that were defined by the effective reproduction number. Overall, we found high variation in skill across individual models, with ensemble-based forecasts outperforming other approaches. Forecast skill relative to the baseline was generally higher for larger jurisdictions (e.g., states compared to counties). Over time, forecasts generally performed worst in periods of rapid changes in reported cases (either in increasing or decreasing epidemic phases) with 95% prediction interval coverage dropping below 50% during the growth phases of the winter 2020, Delta, and Omicron waves. Ideally, case forecasts could serve as a leading indicator of changes in transmission dynamics. However, while most COVID-19 case forecasts outperformed a naïve baseline model, even the most accurate case forecasts were unreliable in key phases. Further research could improve forecasts of leading indicators, like COVID-19 cases, by leveraging additional real-time data, addressing performance across phases, improving the characterization of forecast confidence, and ensuring that forecasts were coherent across spatial scales. In the meantime, it is critical for forecast users to appreciate current limitations and use a broad set of indicators to inform pandemic-related decision making.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Impact of n -Butylammonium Bromide on the Chemical and Electronic Structure of Double-Cation Perovskite Thin Films

2D/3D perovskite heterostructures have emerged as a promising material composition to reduce nonradiative recombination in perovskite-based LEDs and solar cells. Such heterostructures can be created by a surface treatment with large organic cations, for example, n-butylammonium bromide (BABr). To understand the impact of the BABr surface treatment on the double-cation (Cs 0.17 FA 0.83 Pb(I 0.6 Br 0.4 ) 3 ) (FA = formamidinium) perovskite thin film and further optimize the corresponding structures, an in-depth understanding of the chemical and electronic properties of the involved surfaces, interfaces, and bulk is required. We study the impact of the BABr treatment with a combination of surface-sensitive X-ray photoelectron spectroscopy and bulk-sensitive resonant inelastic soft X-ray scattering (RIXS). A quantitative analysis of the BABr-treated perovskite thin film shows a modified chemical perovskite surface environment of carbon, nitrogen, bromine, iodine, and lead, indicating that the treatment leads to a perovskite surface with a modified composition and bonding structure. With K-edge RIXS, the local environment at the nitrogen and carbon atoms is probed, allowing us to identify the presence of BABr in the perovskite bulk albeit with a modified bonding environment. This, in turn, identifies a "hidden parameter" for the optimization of the BABr treatment and overall performance of 2D/3D perovskite solar cell absorbers.

2D/3D perovskite heterostructure↗
DOE OSTI2024

A modeling pipeline to relate municipal wastewater surveillance and regional public health data

As COVID-19 becomes endemic, public health departments require improved passive indicators, which are independent of voluntary testing data, to estimate the prevalence of COVID-19 in local communities. Quantification of SARS-CoV-2 RNA from wastewater has the potential to be a powerful passive indicator. However, connecting measured SARS-CoV-2 RNA to community prevalence is challenging. We have developed a generalized methodology to improve the predictive power of wastewater measurements and applied it to data collected from treatment plants in the Chicago area. We built and compared a set of multi-linear regression models, which incorporate pepper mild mottle virus (PMMoV) as a population biomarker, Bovine coronavirus (BCoV) as a recovery control, and wastewater system flow rate into a corrected estimate for SARS-CoV-2 RNA concentration. For our data, models with BCoV performed better than those with PMMoV, but all model estimates of prevalence significantly improved correlation compared to doing no correction. We also investigate the utility of RNA measurements in wastewater as a leading indicator of COVID-19 trends. We do this in a rolling manner for corrected wastewater data and for other prevalence indicators, and statistically compare the temporal relationship between new increases in the wastewater data and those in other prevalence indicators. We find that wastewater trends often lead other COVID-19 indicators in predicting new surges.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Investigating the relation between instantaneous driving decisions and safety critical events in naturalistic driving environment

The availability of large-scale naturalistic driving data provides enormous opportunities for studying relationships between instantaneous driving decisions prior to involvement in safety critical events (SCEs). This study investigates the role of driving instability prior to involvement in SCEs. While past research has studied crash types and their contributing factors, the role of pre-crash behavior in such events has not been explored as extensively. The research demonstrates how measures and analysis of driving volatility can be leading indicators of crashes and contribute to enhancing safety. Highly detailed microscopic data from naturalistic driving are used to provide the analytic framework to rigorously analyze the behavioral dimensions and driving instability that can lead to different types of SCEs such as roadway departures, rear end collisions, and sideswipes. Modeling results reveal a positive association between volatility and involvement in SCEs. Specifically, increases in both lateral and longitudinal volatilities represented by Bollinger bands and vehicular jerk lead to higher likelihoods of involvement in SCEs. Further, driver behavior related factors such as aggressive driving and lane changing also increases the likelihood of involvement in SCEs. Driver distraction, as represented by the duration of secondary tasks, also increases the risk of SCEs. Likewise, traffic flow parameters play a critical role in safety risk. The risk of involvement in SCEs decreases under free flow traffic conditions and increases under unstable traffic flow. Further, the model shows prediction accuracy of 88.1 % and 85.7 % for training and validation data. These results have implications for proactive safety and providing in-vehicle warnings and alerts to prevent the occurrence of such SCEs.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2022

The Hanford Lead Canister Collaboration

The Hanford Site, Management of the Cesium and Strontium Capsules (MCSC) Project is preparing to place cesium and strontium material into dry storage using stainless steel canisters that are housed inside vertical concrete casks. Part of the site’s aging management program is to use a spare canister system as a leading indicator canister to provide advance warning for signs of chloride induced stress corrosion cracking (CISCC) or any other kind of canister degradation that might take place over the system’s 300-year design life. The Hanford Lead Canister (HLC) will use electric heaters to simulate the decay heat of cesium and strontium to ensure the HLC simulates the environment and conditions the capsule-loaded systems will experience. In addition to being part of the site’s aging management program, the HLC is being made available for research and development that advances the industry regarding canister mitigation and repair (M&R). The HLC system closely resembles current spent nuclear fuel (SNF) dry storage systems, making the HLC useful for demonstrating technologies or performing research that is relevant to SNF canisters . Several organizations are collaborating to prepare the HLC, along with technical strategy, to perform the needed research and development activities, to include the Pacific Northwest National Laboratory (PNNL), Central Plateau Cleanup Company (CPCCo), and the Electric Power Research Institute (EPRI). In one example of this collaborative research, EPRI is planning to use the HLC to demonstrate in-situ M&R technologies under controlled conditions before the HLC is deployed at Hanford. There is a period of several years when the HLC will be available for canister M&R activity before it is deployed. This paper describes the development of the HLC, its role in the Hanford site’s MCSC Project aging management program, and some of the research activities that are planned for the HLC.

Klymyshyn, Nicholas A.↗
DOE OSTI2021

Mechanical Properties of Nominally Ductile and Brittle Zones within the Caney Shale Formation

We present a case study from the Caney Shale, which is an emerging hydrocarbon-bearing formation in Oklahoma. Open hole logs lead to a nominal distinction of five zones in an exploration well, two of which are designated “ductile” and three of which are designated as less ductile “reservoir” zones. Subsequently, a detailed mechanical characterization was carried out on core plugs taken from each of these zones. Results show nominally “ductile” zones are weaker in terms of UCS, tensile strength, fracture toughness, and confined compressive strength. However, by a variety of brittleness indices, it is found the nominal “ductile” regions do not behave as expected. They are weaker, but not consistently more ductile. Furthermore, some brittleness indices lead to contradictory conclusions. For example, zones which would be considered the most brittle according to the proportion of nonlinear stress-strain behavior prior to failure and/or by indices based on elastic properties would be considered the least brittle according to their internal friction angle.

Benge, Margaret↗
DOE OSTI2025

Integrating Contaminant Source Indicators, Water Quality Measures, and Ecotoxicity to Characterize Contaminant Mixtures and Per- and Polyfluoroalkyl Substance (PFAS) Variability in an Urban Watershed

Thousands of chemical contaminants threaten watersheds but are time and cost prohibitive to monitor. Identifying their sources, transport, and ecological risk is limited in heterogeneous urban watersheds. We present an integrative watershed approach using source-specific indicator compounds, common water quality measures, and ecotoxicity assays to examine the distribution of contaminant mixtures in an urbanized watershed. Indicator compound concentrations were temporally and spatially distributed for treated/untreated sewage (sucralose, artificial sweetener), road runoff (diphenyl-guanidine [DPG] and 6PPD-quinone [6PPD-Q], automobile tire additives), and lawncare runoff (aminomethanephosphonic acid (AMPA), major degradant of the herbicide glyphosate). Sucralose was predominately sourced from treated wastewater; measurable concentrations in tributaries indicated raw sewage inputs. DPG and 6PPD-Q concentrations correlated to road density during base flow and were elevated during stormflow. AMPA was measurable spring through fall, especially where lawns were dense. When specific sources dominated flow, water quality measures correlated with wastewater (sulfate, potassium, chloride, and sodium) and road runoff (chromium and lead) indicators. The limited behavioral toxicity observed in exposed zebrafish (Danio rerio) (18%) was not well explained by source-indicators. PFAS concentrations were highly variable spatially but not well explained by our source-specific indicator compounds. Here, more costly compound-specific monitoring may be necessary when multiple sources exist or when unexpected toxicity trends occur.

computer simulations↗
DOE OSTI2024

A multi-ancestry GWAS of Fuchs corneal dystrophy highlights the contributions of laminins, collagen, and endothelial cell regulation

Fuchs endothelial corneal dystrophy (FECD) is a leading indication for corneal transplantation, but its molecular etiology remains poorly understood. We performed genome-wide association studies (GWAS) of FECD in the Million Veteran Program followed by multi-ancestry meta-analysis with the previous largest FECD GWAS, for a total of 3970 cases and 333,794 controls. We confirm the previous four loci, and identify eight novel loci: SSBP3, THSD7A, LAMB1, PIDD1, RORA, HS3ST3B1, LAMA5, and COL18A1. We further confirm the TCF4 locus in GWAS for admixed African and Hispanic/Latino ancestries and show an enrichment of European-ancestry haplotypes at TCF4 in FECD cases. Among the novel associations are low frequency missense variants in laminin genes LAMA5 and LAMB1 which, together with previously reported LAMC1, form laminin-511 (LM511). AlphaFold 2 protein modeling, validated through homology, suggests that mutations at LAMA5 and LAMB1 may destabilize LM511 by altering inter-domain interactions or extracellular matrix binding. Finally, phenome-wide association scans and colocalization analyses suggest that the TCF4 CTG18.1 trinucleotide repeat expansion leads to dysregulation of ion transport in the corneal endothelium and has pleiotropic effects on renal function.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Development and Validation of the Near-Miss Safety Score (NMSS) Framework for Heavy-Duty Vehicle Safety Assessment

Heavy-duty commercial vehicles present unique safety challenges due to their size, articulation dynamics, and operational complexity. As Advanced Driver Assistance Systems (ADAS) and Automated Driving Systems (ADS) become more common in Class 8 tractor-trailers, traditional crash-based metrics are no longer sufficient to evaluate safety performance. This study introduces the Near-Miss Safety Score (NMSS)—a quantitative, physics-informed framework developed as a leading indicator of safety for advanced commercial vehicle technologies. NMSS quantifies how close a vehicle or operator comes to a collision or safety-critical event by integrating vehicle kinematics (relative distance, velocity, and acceleration) with driver or system response latency and time-to-collision. A modifier function adjusts the base score for vehicle-specific and environmental factors such as trailer articulation, load distribution, braking condition, and roadway environment. The framework enables systematic evaluation of ADAS/ADS performance under a range of operational and degraded conditions. By capturing near-miss dynamics rather than relying on crash data, NMSS provides a proactive approach to risk assessment, accelerates technology validation, and enhances interpretability for regulators and fleet operators. The proposed NMSS was validated using data collected from a motorcoach platform, demonstrating the framework’s applicability to heavy-duty safety evaluation and performance benchmarking. Results and key insights are presented in this paper.

Siekmann, Adam [ORNL] (ORCID:0000000284653935)↗
DOE OSTI2024

East Pacific ENSO Offers Early Predictive Signals for Harvest Yields

Abstract Annual wheat yields have steadily risen over the past century, but harvests remain highly variable and dependent on myriad weather conditions during a long growing season. In Kansas, for example, the 2014 crop year brought the lowest average yield in decades at 28 bushels per acre, while in 2016 farmers in the Wheat State, as Kansas is often called, enjoyed a historic high of 57 bushels per acre. It is broadly known that remote forces like El Niño–Southern Oscillation contribute to meteorological outcomes across North America, including in the wheat-growing regions of the U.S. Midwest, but the differential imprints of ENSO phases and flavors have not been well explored as leading indicators for harvest outcomes in highly specific agricultural regions, such as the more than 7 million acres upon which wheat is grown in Kansas. Here, we demonstrate a strong, steady, and long-term association between a simple “wheat yield index” and sea surface temperature anomalies, more than a year earlier, in the East Pacific, potentially offering insights into forthcoming harvest yields several seasons before planting commences.

Meteorology & Atmospheric Sciences↗
DOE OSTI2023

Chymotrypsin-like Elastase-1 Mediates Progressive Emphysema in Alpha-1 Antitrypsin Deficiency

Alpha-1 antitrypsin (AAT) deficiency is a rare disease affecting approximately 1 in 2000 White individuals with approximately 10% of these individuals developing AATD lung disease. This lung disease is marked by progressive alveolar loss despite the withdrawal of triggering agents such as cigarette smoke. Although the PiZZ genotype is the most common mutation, there are over 100 described variants making true population estimates difficult and AAT deficiency is typically diagnosed by reduced levels of AAT in the blood. Typically developing in the fourth and fifth decades of life, AAT-deficient lung disease is marked by progressive emphysema and is the fourth leading indication for lung transplantation. AAT augmentation therapy does not prevent disease progression making the development of new therapeutic approaches critical. Chymotrypsin-like elastase 1 (CELA1) is a serine protease synthesized and secreted by alveolar type 2 cells with a physiologic role in reducing postnatal lung elastance. At a molecular level, CELA1 binds and cleaves non-crosslinked, hydrophobic domains of tropoelastin, and its binding to lung elastin fibers is increased with strain—similar to other pancreatic elastases. CELA1 is neutralized by covalent binding with AAT, and Cela1 -/- mice were completely protected from emphysema in an antisense oligonucleotide model of AAT-deficient emphysema. This model, however, did not include any injury apart from administration of the antisense oligonucleotide with levels of emphysema exceeding that seen in mice with genetic ablation of 5 Serpina1 paralogues and subjected to tracheal lipopolysacharide or cigarette smoke. Here, we use this murine genetic model of AAT deficiency to test the role of the CELA1 gene in AAT-deficient emphysema using multiple models to show that CELA1 has a role in progressive airspace enlargement in AAT-deficiency independent of inflammation.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Actions to Evaluate Tritium in ATR Complex Perched Water Well 12

On April 23, 2019, elevated tritium concentrations in monitoring well PW-12 were reported to the Advanced Test Reactor (ATR) Complex environmental manager by the Fluor Idaho Comprehensive Environmental Response, Compensation, and Liability Act (CERCLA) lead. The monitoring well is one of a series of wells located in and around the ATR Complex that are sampled on an annual basis as part of the CERCLA monitoring program. The Fluor Idaho CERCLA lead indicated the elevated concentrations had been trending upward from Fiscal Year (FY) 2017 through FY 2019. The tritium levels went from 1,880 pCi/L in October 2016 to 7,890 pCi/L in October 2017 and increased to 13,000 pCi/L in October 2018. In order to identify a baseline, the safe drinking water level (e.g. 20,000 pCi/L) can be used as a reference point for comparison only, as PW-12 is a perched water well and does not penetrate the aquifer. Although well below safe drinking water levels, an investigation was initiated to identify the source of tritium.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2024

Measurement of Nuclear Dependence in Inclusive Antineutrino Scattering

One of the fundamental questions in physics is the matter-antimatter asymmetry of the Universe, explored through charge-parity violation searches in neutrino oscillation experiments. Next-generation oscillation experiments like DUNE need to constrain the systematic uncertainties arising from our understanding of (anti)neutrino-nucleus scattering to within a few percent to achieve their physics goals. MINERvA, a dedicated (anti)neutrino-nucleus scattering experiment, plays a crucial role in constraining these uncertainties. This thesis presents MINERvA's first high-statistics direct measurement of nuclear dependence in charged-current inclusive antineutrino scattering on carbon, hydrocarbon, iron, and lead as a function of antimuon transverse momentum, $p_{\text{T}}$, and Bjorken~$x$. The analysis utilises interactions with a mean antineutrino energy of approximately~6~GeV, with reconstructed antimuons having a scattering angle of less than 17$^\circ$ relative to the antin eutrino beam and an antimuon energy of 2--20 GeV. The measured per-nucleon differential cross-sections are reported with a precision of 7--9\%, while the cross-section ratios of carbon, iron, and lead to hydrocarbon have uncertainties of 5\% or less. The cross-sections for iron and lead indicate strong suppression at low $p_{\text{T}}$ and Bjorken~$x$, and an enhancement at high $p_{\text{T}}$. These effects are observed to be more pronounced with the increasing size of the target nucleus and are not reproduced by the underlying simulation prediction. Comparisons to alternative models used in current (anti)neutrino interaction generators show some improvements in modelling over the base prediction model, yet they are still unable to fully reproduce the observed nuclear dependence in this analysis. Importantly, the analysis provides a direct test of nuclear effects in inclusive antineutrino scattering, with major contributions from resonant pion production, deep inelastic scattering, and the transition region between these channels, which will be significant in DUNE. This measurement also represents one of the largest antineutrino datasets in this energy regime analysed to date.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Sub-leading structures in superconformal indices: subdominant saddles and logarithmic contributions

We systematically study various sub-leading structures in the superconformal index of N = 4 supersymmetric Yang-Mills theory with SU(N) gauge group. We concentrate in the superconformal index description as a matrix model of elliptic gamma functions and in the Bethe-Ansatz presentation. Our saddle-point approximation goes beyond the Cardy-like limit and we uncover various saddles governed by a matrix model corresponding to SU(N) Chern-Simons theory. The dominant saddle, however, leads to perfect agreement with the Bethe-Ansatz approach. We also determine the logarithmic correction to the superconformal index to be log N, finding precise agreement between the saddle-point and Bethe-Ansatz approaches in their respective approximations. We generalize the two approaches to cover a large class of 4d N = 1 superconformal theories. We find that also in this case both approximations agree all the way down to a universal contribution of the form log N. The universality of this last result constitutes a robust signature of this ultraviolet description of asymptotically AdS 5 black holes and could be tested by low-energy IIB supergravity.

1/N expansion↗
DOE OSTI2023

Effects of lead and lean in multi-axis directed energy deposition

Here, the present study examines the effect of varying laser incidence angles on textural, microstructural, and geometric characteristics of directed energy deposition (DED) processed materials, providing a more comprehensive outlook on participating laser-matter interaction phenomena and ultimately devising strategies to ameliorate print performance. In this study, single-layer, single-/multi-track specimens were processed to examine the effect of non-orthogonal angular configurations on bead morphology, microstructure, phase composition, and textural representation of DED-processed 316L stainless steel materials. It was observed that bead size decreased at increasing lead and lean angles. Asymmetry in the distribution of the bead morphology as a function of lead angle indicates better catchment for acute lead angle configurations over obtuse configurations. No significant differences in phase composition, texture, and microstructure were observed in moderate off-axis configurations. When the penetration depth for the deposits was below 20 μm, columnar structures dominated the microstructure of the deposited material. At deeper penetration depths, columnar and equiaxed structures were observed at the bead-substrate interface and center of the bead, respectively. Compared to powder-blown DED, wire-DED dilution profiles were found to be asymmetric in both orthogonal and non-orthogonal wire DED samples.

36 MATERIALS SCIENCE↗
DOE OSTI2020

The Corrective Maintenance Paradigm Shift at Hanford's Tank Farms - 20077

Hanford's Tank Farms facilities have been used to safely store waste for over 70 years, with the first single-shell tanks being constructed in 1943. Tank Farm facilities consist of 149 single-shell tanks, 28 double-shell tanks, an evaporator facility, and wastewater treatment facilities. Tank Farm facilities are aging, with a tremendous corrective maintenance burden on the Tank Farm contractor. The mission of Tank Farm facilities is soon changing from waste storage to waste staging for the Hanford Waste Treatment and Immobilization Plant (WTP). WTP operations will demand a significant increase in Tank Farm facility operations, in which corrective maintenance outage windows will shrink drastically. This realization has forced the Tank Farm contractor to consider a paradigm shift in Tank Farm facilities Maintenance planning, and the use of reliability Engineering tools. The Tank Farm Production Operations Engineering Cognizant System Engineering (CSE) organization has led the way in motivating this paradigm shift. This shift has been realized through the use of: 1) technical exchange with other Department of Energy (DOE) contractors to develop improvements in the CSE program, 2) a shift from the use of lagging to leading system health indicators, and 3) a Plant Health Committee to unite Engineering, Operations, and Maintenance personnel toward a productive maintenance strategy. The CSE organization has held several technical exchanges with other DOE contractors to discuss CSE concepts, and how to better maintain aging infrastructure. The technical exchange with other contractors has greatly reduced the time required to make improvements in the Tank Farm CSE program. Other DOE contractors have already faced issues surrounding aging infrastructure, and have vast experience in improving the reliability and usable life of structures and components in nuclear facilities. The past CSE program used lagging health indicators to determine the health of systems. The key lagging indicator used to determine system health was availability, which is the percentage of time that a facility was ready for operation compared to the time the facility was demanded for operation. Availability was a good indicator of health in the waste storage mission of Tank Farms, where safe storage was the most important function of the facility, and where maintenance outage windows were typically long-duration. In current and future operations, outage windows are reducing, resulting in the need for much more reliable systems. Systems that have had high availability may suddenly become inoperable due to a failed component or sub-system. In several instances, the use of availability as an indicator of system health failed to predict system/equipment failure before its occurrence. In discussions with other DOE contractors, a set of reliability tools, including leading indicators of health, has been implemented in the CSE program. This primarily involves the use of failure modes and effects analysis and the study of equipment failure to develop system monitoring plans that focus on trending data to detect oncoming equipment failure ahead of time. In addition, the use of a Plant Health Committee has added significantly to the paradigm shift from a corrective maintenance philosophy to the use of predictive and preventive maintenance. The Plant Health Committee is a chartered team consisting of Engineering, Operations, and Maintenance personnel. CSEs use this forum to present the results of their performance monitoring, including the presentation of health via leading health indicators. The most positive aspect of this committee is the communication that it creates within these critical organizations. The Operations and Maintenance organization benefit from focusing maintenance on the reliability-centered focus provided by Engineering. Engineering benefits from the operational experience of the Operations organization and from the failure data that can be provided by Maintenance personnel. The continued use of the Plant Health Committee is expected to further decrease maintenance outage times, in better support of oncoming 24/7 operations. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Electronic structure, and magnetic and superconducting pairing tendencies of the alternating single layer–bilayer stacking nickelate La 5 ⁢Ni 3 ⁢O 11 under pressure

Nickelates have continued to surprise since their unconventional superconductivity was discovered. Recently, the layered nickelate La 5 ⁢Ni 3 ⁢O 11 with hybrid single-layer and bilayer stacking showed superconductivity under high pressure. This compound combines features of single-layer La 2 ⁢NiO 4 and bilayer La 3 ⁢Ni 2 ⁢O 7 , but its pairing mechanism remains to be understood. Motivated by this finding, here we report a comprehensive theoretical study of this system. Our density functional theory calculations reveal that the undistorted P4/mmm phase without pressure is unstable due to three distortion modes. As pressure increases, these modes are suppressed, leading to the high-symmetry P4/mmm phase without NiO 6 octahedron tilting. Moreover, the “charge transfer” between the single-layer and bilayer sublattices was observed, leading to hole doping in the single-layer blocks. Our random-phase approximation calculations indicate a leading 𝑑 𝑥 2 −𝑦 2 -wave pairing state that arises from spin-fluctuation scattering between Fermi surface states mainly originating from the single-layer blocks and additional weaker contributions from the bilayer blocks. These spin fluctuations could be detected by inelastic neutron scattering as a strong peak at 𝐪 = (𝜋,𝜋). Our findings distinguish La 5 ⁢Ni 3 ⁢O 11 from other nickelate superconductors discovered so far and the high-𝑇 𝑐 cuprates. We also discuss both similarities and differences between La 5⁢ Ni 3 ⁢O 11 and other hybrid stacking nickelates.

Zhang, Yang [Univ. of Tennessee, Knoxville, TN (Un↗