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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 469 records · Page 26

Assessing Uncertainties and Approximations in Solar Heating of the Climate System

In calculating solar radiation, climate models make many simplifications, in part to reduce computational cost and enable climate modeling, and in part from lack of understanding of critical atmospheric information. Whether known errors or unknown errors, the community's concern is how these could impact the modeled climate. The simplifications are well known and most have published studies evaluating them, but with individual studies it is difficult to compare. Here, we collect a wide range of such simplifications in either radiative transfer modeling or atmospheric conditions and assess potential errors within a consistent framework on climate-relevant scales. We build benchmarking capability around a solar heating code (Solar-J) that doubles as a photolysis code for chemistry and can be readily adapted to consider other errors and uncertainties. The broad classes here include: use of broad wavelength bands to integrate over spectral features; scattering approximations that alter phase function and optical depths for clouds and gases; uncertainty in ice-cloud optics; treatment of fractional cloud cover including overlap; and variability of ocean surface albedo. We geographically map the errors in W m -2 using a full climate re-creation for January 2015 from a weather forecasting model. For many approximations assessed here, mean errors are ~2 W m -2 with greater latitudinal biases and are likely to affect a model’s ability to match the current climate state. Combining this work with previous studies, we make priority recommendations for fixing these simplifications based on both the magnitude of error and the ease or computational cost of the fix.

58 GEOSCIENCES↗

Ligand- and Structure-Based Analysis of Deep Learning-Generated Potential α2a Adrenoceptor Agonists

The α2a adrenoceptor is a particularly medically relevant subtype of the G protein-couple receptor family. Unfortunately, high-throughput techniques aimed at producing novel drug leads targeted to this receptor have been largely unsuccessful due to the complex pharmacology of adrenergic receptors. As such, cutting-edge in silico ligand- and structure-based assessment and de novo deep learning methods are well-positioned to provide new insights into protein-ligand interactions and potential active compounds. In this work, we (i) collect a dataset of α2a adrenoceptor agonists and provide it as a resource for the drug design community; (ii) use the dataset as a basis to generate candidate active structures via deep learning; and (iii) apply computational ligand- and structure-based analysis techniques to gain new insight into α2a adrenoceptor agonists and assess the quality of the computer-generated compounds. Additionally, we further describe how such assessment techniques can be applied to putative chemical probes with a case study involved proposed medetomidine-based probes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Impact of inoculation practices on microbiota assembly and community stability in a fabricated ecosystem

Studying plant-microbe-soil interactions is challenging due to their high complexity and variability in natural ecosystems. While fabricated ecosystems provide opportunities to recapitulate aspects of these systems in reduced complexity and controlled environments, inoculation can be a significant source of variation. To tackle this, we evaluated how different bacteria inoculation practices and plant harvesting time points affect the reproducibility of a microbial synthetic community (SynCom) in association with the model grass Brachypodium distachyon. We tested three microbial inoculation practices: seed inoculation, transplant inoculation, and seedling inoculation; and two harvesting points: early (14-day-old plants) and late (21 days post-inoculation). We grew our plants and bacterial strains in sterile devices (EcoFABs) and characterized the microbial community from root, rhizosphere, and sand using 16S ribosomal RNA gene sequencing. The results showed that inoculation practices significantly affected the rhizosphere microbial community only when harvesting at an early time point but not at the late stage. As the SynCom showed a persistent association with B. distachyon at 21 days post-inoculation regardless of inoculation practices, we assessed the reproducibility of each inoculation method and found that transplant inoculation showed the highest reproducibility. Moreover, plant biomass was not adversely affected by transplant inoculation treatment. We concluded that bacteria inoculation while transplanting coupled with a later harvesting time point gives the most reproducible microbial community in the EcoFAB-B. distachyon-SynCom fabricated ecosystem and recommend this method as a standardized protocol for use with fabricated ecosystem experimental systems.

59 BASIC BIOLOGICAL SCIENCES↗

Nepal’s Communities Brace for Multihazard Risks

From its high mountains to its low plains, Nepal faces growing risks from natural hazards. Preparing for these risks requires accurate, locally relevant risk assessments and effective communications.

54 ENVIRONMENTAL SCIENCES↗

Assessment of Existing OpenStudio Measures: Reviews, Interviews, and Future Developments

OpenStudio Measure development is continuously in progress and greatly propelled by the collaborative efforts within the building energy modeling community. To ensure the widespread adoption and benefit of OpenStudio Measures, developers must understand the current status of Measure development and the needs of OpenStudio Measure users. The first step involves a comprehensive review of existing content to prevent redundancy and gain insights into how OpenStudio Measures are used in the building energy modeling community. This knowledge can then be integrated into the Measure development process, and the expertise of practitioners and OpenStudio Measure users can be leveraged to shape future Measures. Numerous OpenStudio Measures have been created and shared on the Building Component Library (BCL). The BCL is an open-source repository housing various OpenStudio-related resources, including building component blocks, descriptive metadata, and Measures describing modifications to building energy models. The OpenStudio Measures in BCL encompass a wide range of energy conservation Measures from basic lighting power reduction to complex HVAC model transformation. They also enable users to generate customized reports and facilitate the integration of energy simulation with other analytical processes. This report presents review of 272 currently available OpenStudio Measures in BCL. The OpenStudio Measures were reviewed by category and subcategory. These Measures are summarized by their functionalities and keywords. To gain insights into how OpenStudio Measures are used in building energy modeling community, interviews were conducted. A total of 12 interview responses were collected from 6 individuals in the industry and 6 individuals in academia. The knowledge acquired from reviewing the existing Measures and interview results will be integrated into the Measure development process, and the expertise of practitioners and OpenStudio Measure users will be leveraged to shape future Measures.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Microreactor Core Transportation Cask Model Description for Criticality Safety Validation Basis Assessment (Rev. 1)

Criticality safety analyses are completed on transportation casks used for microreactor whole core shipment to provide examples of models and analyses to industry, regulators, and nuclear community at large to be used in verification and validation analyses of similar applications. The microreactors considered are based on a Gas-Cooled Microreactor (GCMR) and a Heat-Pipe Microreactor (HPMR), both utilize HALEU fuel in the form of TRISO particles and various other design options considered in industry microreactor designs. Variant design options of GCMR and HPMR were also investigated to provide a wider application range for each technology. Criticality safety analyses for the GCMR and HPMR packages were performed using the CSAS6 sequence of SCALE 6.3.2 with the ENDF/B-VII.1-based continuous energy neutron libraries. Different scenarios were investigated, including normal operation and water flooded conditions to represent nominal and hypothetical accident scenarios. Sensitivity and similarity analyses are also performed using the TSUNAMI sequence of SCALE 6.3.2, and the similarity analysis uses all the experiments from the ICSBEP Handbook with Intermediate and mixed Enriched Uranium (IEU) and Low Enriched Uranium (LEU) systems, together with additional experiments that are sponsored by the DNCSH program. Many experiments were found marginally similar to the GCMR and HPMR models, with similarity index (ck) values greater than 0.8 but less than 0.9. Among all the experiments analyzed, no case has a ck value greater than 0.9, indicating that additional critical experiments might be needed to further validate the criticality safety models for microreactors transport packages.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Microreactor Core Transportation Cask Model Description for Criticality Safety Validation Basis Assessment (Rev. 2)

Criticality safety analyses are completed on transportation casks used for microreactor whole core shipment to provide examples of models and analyses to industry, regulators, and nuclear community at large to be used in verification and validation analyses of similar applications. The microreactors considered are based on a Gas-Cooled Microreactor (GCMR) and a Heat-Pipe Microreactor (HPMR), both utilize HALEU fuel in the form of TRISO particles and various other design options considered in industry microreactor designs. Variant design options of GCMR and HPMR were also investigated to provide a wider application range for each technology. Criticality safety analyses for the GCMR and HPMR packages were performed using the CSAS6 sequence of SCALE 6.3.2 with the ENDF/B-VII.1-based continuous energy neutron libraries. Different scenarios were investigated, including normal operation and water flooded conditions to represent nominal and hypothetical accident scenarios. Sensitivity and similarity analyses are also performed using the TSUNAMI sequence of SCALE 6.3.2, and the similarity analysis uses all the experiments from the ICSBEP Handbook with High Enriched Uranium (HEU), Intermediate and mixed Enriched Uranium (IEU) and Low Enriched Uranium (LEU) systems. Many ICSBEP experiments were found marginally similar, with similarity index (ck) values greater than 0.8, to the GCMR and HPMR cask models, especially in flooded conditions that may be more constraining due to reduced reactivity margins. Some experiments using TRISO fuel particles and graphite moderator, including the recent THETA and Deimos experiments from LANL, together with some IRPhEP experiments, were also used for the similarity analyses. These TRISO-fueled and graphite moderated experiments behaved similarly to the GCMR models, with maximum ck value greater than 0.9, but they are less similar to the HPMR models. This observation indicates that additional critical experiments might be needed to further validate the criticality safety models, especially for heat-pipe based microreactor transport packages and for non-flooded transportation configurations.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Performance of wind assessment datasets in United States coastal areas

The atmospheric dynamics that occur near the intersection of land and water offer exciting and challenging opportunities for wind energy deployment in coastal locations. New models and tools are continually being developed in support of wind resource assessment, and three recent products are explored in this work for their performance in representing characteristics of the wind resource at coastal locations: the Global Wind Atlas 3 (GWA3), the 2023 National Offshore Wind dataset (NOW-23), and the wind climate simulations that are a component of the Wind Integration National Dataset (WIND) Toolkit Long-Term Ensemble Dataset (WTK-LED Climate). These relatively new products are freely available and user-friendly so that anyone – from a utility-scale developer to a resident or business owner – can evaluate the potential for wind energy generation at their location of interest. The validations in this work provide guidance on the accuracy of wind resource assessments for coastal customers interested in installing small or midsize wind turbines (≤ 1 MW in capacity) to support energy needs at the residential, business, or community scale, such as the island and remotely located participants of the U.S. Department of Energy's Energy Transitions Initiative Partnership Project. At 23 coastal locations across the United States, dataset performance varies according to different evaluation metrics. All three recent datasets tend to overestimate the observed coastal wind resource. GWA3 produces the smallest annual average wind speed relative errors, whereas WTK-LED Climate is in best agreement in terms of representing diurnal wind speed cycles. NOW-23 is the highest performing of the datasets for representing seasonal and interannual trends in the coastal wind resource. While GWA3 and WTK-LED Climate are relatively insensitive to the dataset output heights selected for wind resource assessment at small and midsize wind turbine hub heights (20–60 m), significant variation in the NOW-23 representation of wind shear across the wind profile in the lowest 100 m of the atmosphere leads to notable differences in wind speed estimates according to the dataset output heights selected for evaluation. GWA3 exhibits challenges in the representation of observed wind speed diurnal cycles at small and midsize turbine hub heights, likely due to the dataset's consistent treatment of hourly wind speed trends regardless of altitude.

17 WIND ENERGY↗

Challenges in Rotor Aerodynamic Modeling for Non-Uniform Inflow Conditions

Within an international collaboration framework, the accuracy of rotor aerodynamic models used for design load calculations of wind turbines is being assessed. Where the use of high-fidelity computation fluid dynamics (CFD) and mid-fidelity free-vortex wake (FVW) models has become commonplace within the wind energy community, these still fail to meet the requirements in terms of execution time and computational cost needed for design load calculations. The fast but engineering fidelity blade-element/momentum (BEM) method can therefore still be considered the industry workhorse for design load simulations. At the same time, upscaling of wind turbine rotors makes inflow non-uniformities (e.g. shear, veer, turbulence) more important. The objective of this work is to assess model accuracy in non-uniform inflow conditions, which violate several BEM assumptions. Thereto a comparison in turbulent inflow has been executed including a wide variety of codes, focusing on the DanAero field measurements, where a 2.3-MW turbine was equipped with, among other sensors, a pressure measurement apparatus. The results indicate that, although average load patterns are in good agreement, this does not hold for the unsteady loads that drive fatigue damage and aero-elastic stability. A simplified comparison round in vertical shear was initiated to investigate the observed differences in a more controlled manner. A consistent offset in load amplitude was observed between CFD and free-vortex codes on the one hand and BEM-type codes on the other hand. To shed more light on the observations, dedicated efforts are ongoing to pinpoint the cause for these differences, in the end leading to guidelines for an improved BEM implementation.

17 WIND ENERGY↗

Microbial Ecology and Site Characteristics Underlie Differences in Salinity-Methane Relationships in Coastal Wetlands

Methane (CH 4 ) is a potent greenhouse gas emitted by archaea in anaerobic environments such as wetland soils. Tidal freshwater wetlands are predicted to become increasingly saline as sea levels rise due to climate change. Previous work has shown that increases in salinity generally decrease CH 4 emissions, but with considerable variation, including instances where salinization increased CH 4 flux. We measured microbial community composition, biogeochemistry, and CH 4 flux from field samples and lab experiments from four different sites across a wide geographic range. We sought to assess how site differences and microbial ecology affect how CH 4 emissions are influenced by salinization. CH 4 flux was generally, but not always, positively correlated with CO 2 flux, soil carbon, ammonium, phosphate, and pH. Methanogen guilds were positively correlated with CH 4 flux across all sites, while methanotroph guilds were both positively and negatively correlated with CH 4 depending on site. There was mixed support for negative relationships between CH 4 fluxes and concentrations of alternative electron acceptors and abundances of taxa that reduce them. CH 4 /salinity relationships ranged from negative, to neutral, to positive and appeared to be influenced by site characteristics such as pH and plant composition, which also likely contributed to site differences in microbial communities. The activity of site-specific microbes that may respond differently to low-level salinity increases is likely an important driver of CH 4 /salinity relationships. Our results suggest several factors that make it difficult to generalize CH 4 /salinity relationships and highlight the need for paired microbial and flux measurements across a broader range of sites.

54 ENVIRONMENTAL SCIENCES↗

Atomistic Simulation of Glasses and Amorphous Materials: Challenges and Opportunities for the Next Decade

Atomistic simulations have become indispensable tools for understanding glass structure, dynamics, and properties, yet persistent challenges limit their predictive power. This perspective examines three interconnected issues, namely glass formation procedures, interatomic potential development, and machine learning applications, which emerged from the 5th International Workshop on Challenges of Atomistic Simulations of Glasses and Amorphous Materials. We identify convergent community priorities for (i) standardized validation protocols, (ii) curated benchmark datasets with complete metadata, and (iii) open repositories for glasses. A systematic was forward is provided by a hierarchical validation framework for assessing the structural fidelity, property prediction, and behavioral realism of simulation techniques. Looking ahead, transformative advances are promised by the fusion of classical techniques with machine learning based approaches, for instance, by integrating swap Monte Carlo with machine-learning (ML) potentials, leveraging foundation models through transfer learning, and finetuning ML potentials with experimental data. Progress depends on the community committing to validated models, reproducible protocols, and sustained data sharing.

Krishnan, N. M. Anoop↗

Hydropower Potential at Non-Powered Dams: A Multi-Criteria Decision Analysis Tool based on Grid, Community, Industry, and Environmental Impacts

Non-powered dams (NPDs) are dams that do not include hydraulic turbine (hydropower) equipment. Currently, there are more than 80,000 such dams in the United States, which provide a variety of non-energy benefits, including flood control, water supply, navigation, and recreation. Approximately 500 of these NPDs are identified as having the potential to add hydropower generation (totaling up to a capacity of more than 8200 MW). A large share of investment costs and environmental impacts of dam construction have already been incurred at these NPDs. Hence, adding power to the existing dam structure is hypothesized to be achieved at a lower cost, with less risk, and a shorter timeframe than the development required for new dam construction. The abundance of NPDs, the associated environmental favorability, and cost advantages, combined with the reliability, predictability, and dispatchability of hydropower, make NPDs a strong candidate in the nation’s renewable energy portfolio. To assess the NPD to hydropower conversion potential, in this study, we developed a GIS-based multi-criterial decision analysis tool, which allows users to rank these NPDs based on the grid, community, industry, and environmental impacts (i.e., GCIE impacts). This web-based interactive tool (developed using open-source Python and JavaScript) lets the user choose from a wide range of features to define each of the GCIE impact scores through a user-friendly graphical user interface. These features are related to dam operation, hydropower generation opportunity, power market economy, social vulnerability and risk, proximity to critical infrastructure and energy generating facilities, environmental concerns (air, water, and critical habitat), and exposure to natural hazards. The overall priority score of NPDs is calculated based on user-defined weights for each of the GCIE impact scores. Besides ranking NPDs, the tool can also be used to estimate the energy-storage feasibility (battery, hydrogen, and pump-storage hydropower) at each of the potential sites.

13 HYDRO ENERGY↗

Intra- and inter-subtype HIV diversity between 1994 and 2018 in southern Uganda: a longitudinal population-based study

There is limited data on human immunodeficiency virus (HIV) evolutionary trends in African populations. We evaluated changes in HIV viral diversity and genetic divergence in southern Uganda over a 24-year period spanning the introduction and scale-up of HIV prevention and treatment programs using HIV sequence and survey data from the Rakai Community Cohort Study, an open longitudinal population-based HIV surveillance cohort. Gag (p24) and env (gp41) HIV data were generated from people living with HIV (PLHIV) in 31 inland semi-urban trading and agrarian communities (1994–2018) and four hyperendemic Lake Victoria fishing communities (2011–2018) under continuous surveillance. HIV subtype was assigned using the Recombination Identification Program with phylogenetic confirmation. Inter-subtype diversity was evaluated using the Shannon diversity index, and intra-subtype diversity with the nucleotide diversity and pairwise TN93 genetic distance. Genetic divergence was measured using root-to-tip distance and pairwise TN93 genetic distance analyses. Demographic history of HIV was inferred using a coalescent-based Bayesian Skygrid model. Evolutionary dynamics were assessed among demographic and behavioral population subgroups, including by migration status. 9931 HIV sequences were available from 4999 PLHIV, including 3060 and 1939 persons residing in inland and fishing communities, respectively. In inland communities, subtype A1 viruses proportionately increased from 14.3% in 1995 to 25.9% in 2017 (P < .001), while those of subtype D declined from 73.2% in 1995 to 28.2% in 2017 (P < .001). The proportion of viruses classified as recombinants significantly increased by nearly four-fold from 12.2% in 1995 to 44.8% in 2017. Inter-subtype HIV diversity has generally increased. While intra-subtype p24 genetic diversity and divergence leveled off after 2014, intra-subtype gp41 diversity, effective population size, and divergence increased through 2017. Intra- and inter-subtype viral diversity increased across all demographic and behavioral population subgroups, including among individuals with no recent migration history or extra-community sexual partners. This study provides insights into population-level HIV evolutionary dynamics following the scale-up of HIV prevention and treatment programs. Continued molecular surveillance may provide a better understanding of the dynamics driving population HIV evolution and yield important insights for epidemic control and vaccine development.

60 APPLIED LIFE SCIENCES↗

The effects of bias, drift, and trends in calculating anomalies for evaluating skill of seasonal-to-decadal initialized climate predictions

In initialized seasonal to decadal (S2D) predictions, model hindcasts rapidly drift away from the initial observed state and converge toward a preferred state characterized by systematic error, or bias. Bias and drift are among the greatest challenges facing initialized prediction today. Differences in trends between initial states and drifted states, combined with bias and drift, introduce complexities in calculating anomalies to assess skill of initialized predictions. We examine several methods of calculating anomalies using the Decadal Prediction Large Ensemble (DPLE) using the Community Earth System Model (CESM) initialized hindcasts and focus on Pacific and Atlantic SSTs to illustrate issues with anomaly calculations. Three methods of computing anomalies, one as differences from a long term model climatology, another as bias-adjusted differences from the previous 15 year average from observations, and a third as differences from the previous 15 year average from the model, are contrasted and each is shown to have limitations. For the first, trends in bias and drift introduce higher skill estimates earlier and later in the hindcast period due to the trends that contribute to skill. For the second, higher skill can be introduced in situations where low frequency variability in the observations is large compared to the hindcasts on timescales greater than 15 years, while lower skill can result if the predicted signal is small and the bias-correction itself produces a transition of SST anomalies to the opposite sign of those that are observed. The third method has somewhat lower skill compared to each of the others, but has less difficulties with not only the long term trends in the model climatology, but also with the unrealistic situational skill from using observations as a reference. However, the first 15 years of the hindcast period cannot be evaluated due to having to wait to accumulate the previous 15 year model climatology before the method can be applied. Here, the IPO transition in the 2014–2016 time frame from negative to positive (predicted by Meehl et al. in in Nat Commun, 10.1038/NCOMMS11718, 2016) did indeed verify using all three methods, though each provides somewhat different skill values as a result of the respective limitations. There is no clear best method, as all are roughly comparable, and each has its own set of limitations and caveats. However, all three methods show generally higher overall skill in the AMO region compared to the IPO region.

54 ENVIRONMENTAL SCIENCES↗

Resilient design in nuclear energy: Critical lessons from a cross-disciplinary analysis of the Fukushima Dai-ichi nuclear accident

This paper presents a multidisciplinary analysis of the Fukushima Dai-ichi Nuclear Power Plant accident. Along with the latest observations and simulation studies, we synthesize the time-series and event progressions during the accident across multiple disciplines, including in-plant physics and engineering systems, operators’ actions, emergency responses, meteorology, radionuclide release and transport, land contamination, and health impacts. We identify three key factors that exacerbated the consequences of the accident: (1) the failure of Unit 2 containment venting, (2) the insufficient integration of radiation measurements and meteorology data in the evacuation strategy, and (3) the limited risk assessment and emergency preparedness. We conclude with new research and development directions to improve the resilience of nuclear energy systems and communities, including (1) meteorology-informed proactive venting, (2) machine learning-enabled adaptive evacuation zones, and (3) comprehensive risk-informed emergency planning while leveraging the experience from responses to other disasters.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗

Data–Driven Velocity Model Evaluation Using K–Means Clustering

In this work, we develop a data-driven clustering method to evaluate a velocity model using surface wave velocity dispersion. This is done by first computing theoretical dispersion curves for 1-D velocity profiles of all the grid locations and then splitting the resulting dispersion curves into a certain number of groups via the K-means clustering. The observed dispersion curves are also clustered following the same procedure and the velocity model is assessed by comparing the spatial patterns obtained for the observed and synthetic data sets. The method is applied to evaluate two community velocity models in southern California, CVM-S4.26 and CVM-H15.1, using phase velocity maps derived for 3–16 s Rayleigh waves. We found a good correlation in the spatial distribution of clusters between the result of CVM-S4.26 and that of the observed data, suggesting that the CVM-S4.26 fits the observed dispersion maps better than the CVM-H15.1 in terms of features extracted from the clustering analysis.

58 GEOSCIENCES↗

The Value of Forecasters‐in‐the‐Loop in Real‐Time Flood Forecasting in the Age of Machine Learning

Machine learning (ML) applications in hydrological forecasting are increasingly prevalent and show great potential. However, many previous studies have only evaluated performance through reanalysis or retrospective simulations compared to simplified baselines. This study provides the first assessment of ML performance against actual operational forecasting systems operated by the California Nevada River Forecast Center (CNRFC), which combines the Community Hydrologic Prediction System (CHPS) with forecasters-in-the-loop. Results demonstrate that forecasters-in-the-loop systems consistently outperform ML models in both general forecasts and flood alerting across lead times up to 96 hr, even when ML models use observed forcings, while CNRFC operational process relies on biased weather forecasts. Our analysis reveals that forecaster expertise maintains forecast reliability despite inaccurate precipitation inputs, with human-guided systems showing superior performance degradation characteristics at extended lead times. These findings highlight the irreplaceable value of human expertise in operational forecasting and caution against overstating current ML capabilities in real-world applications.

Tran, Vinh Ngoc [Univ. of Michigan, Ann Arbor, MI ↗

QuESt Equity v.1

SAND2024-08793O QuESt Equity cross-references several public databases for power plant pollution and demographics to assess energy equity and environmental justice for energy storage projects. It also calculates the impacts of power plant pollution in disadvantaged communities. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Rosewater, David↗