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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 1,261 records · Page 70
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Near-Threshold Photoemission from Graphene-Coated Cu(110)

In this article, the brightness of electron beams emitted from photocathode sources plays a critical role in determining the performance of x-ray free-electron lasers and ultrafast electron-diffraction applications. In order to achieve the maximum brightness, the electrons need to be emitted from a photocathode with the lowest-possible mean transverse energy (MTE). Recent investigations have shown that capping a Cu(110) photocathode with a monolayer of graphene can protect the quantum efficiency (QE) from long-term exposure to varying vacuum conditions. However, there have been no studies that investigate the effects that a monolayer of graphene has on the MTE. Here, we report on measurements of a graphene-coated Cu(110) single crystal near the photoemission threshold for room and liquid-nitrogen temperatures. At room temperature, a minimum MTE of 25 meV is measured at 295 nm. At liquid-nitrogen temperatures, a minimum MTE of 9 meV is measured at the photoemission threshold of 290 nm.

36 MATERIALS SCIENCE↗
DOE OSTI2024

From RNNs to Foundation Models: An Empirical Study on Commercial Building Energy Consumption

Accurate short-term energy consumption forecasting for commercial buildings is crucial for smart grid operations. While smart meters and deep learning models enable forecasting using past data from multiple buildings, data heterogeneity from diverse buildings can reduce model performance. The impact of increasing dataset heterogeneity in time series forecasting, while keeping size and model constant, is understudied. We tackle this issue using the ComStock dataset, which provides synthetic energy consumption data for U.S. commercial buildings. Two curated subsets, identical in size and region but differing in building type diversity, are used to assess the performance of various time series forecasting models, including finetuned open-source foundation models (FMs). The results show that dataset heterogeneity and model architecture have a greater impact on post-training forecasting performance than the parameter count. Moreover, despite the higher computational cost, finetuned FMs demonstrate competitive performance compared to base models trained from scratch.

commercial buildings↗
DOE OSTI2023

Building thermal dynamics modeling with deep transfer learning using a large residential smart thermostat dataset

Understanding thermal dynamics and obtaining the computational model of residential buildings enable its scaled application in energy retrofits, control optimization and decarbonization. In this paper, we present a deep learning approach to model building thermal dynamics with smart thermostat data collected from residential buildings, with the goal to investigate model generalizability. In the first stage, we developed and compared different Deep Learning architectures including Convolutional Neural Networks (CNN), Long Short-Term Memory (LSTM) models and CNN-LSTM to predict indoor air temperature in a multi-step time horizon. In the second stage, we implemented a Transfer Learning (TL) process, which aims to improve the prediction performance on a new set of buildings (targets), exploiting the knowledge of related or similar buildings (sources). Different TL strategies and source model identification methods were investigated. The study showed that the CNN-LSTM performed the best among the architectures compared, with an average Mean Absolute Error (MAE) of 0.26 °C for one-hour-ahead (twelve 5-min future steps) predictions. Furthermore, the results showed that freezing the LSTM layer and fine-tuning the other layers of the CNN-LSTM achieved the best performance among four TL strategies, which further improved the performance with respect to a machine learning approach by 10%, and proving the effectiveness and generalizability of the proposed approach. A comparison of three different source model identification methods showed that randomly selecting source models constrained by similar building characteristics can provide good TL performance while retaining simplicity comparing with other quantitative source identification methods.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Package Development for Reliability Testing of Perovskites

Metal halide perovskite solar cells have reached a critical point in their development. At a current certified record efficiency of 25.7% for a single-junction, research-scale cell, they now garner serious attention from the solar cell industry as a promising route to widespread, low-cost photovoltaics in single- or tandem-junction configurations. However, more work to demonstrate their durability under real-world outdoor test conditions is necessary to ensure the long-term success and deployment of the technology. Differences in chemistry, processes, and their combination result in unique performance limiters for both efficiency and stability. Further, as many active formulations and layer/cell stack combinations are sensitive to temperature, air, and moisture, it is important to separate intrinsic limitations to stability relative to these extrinsic sources. This presents a particular need for the development of an appropriate and reliable package for environmental (i.e., accelerated and outdoor) testing that will permit these different factors to be evaluated and understood.

14 SOLAR ENERGY↗
DOE OSTI2020

Experimental and modeling study of 1/ f noise in multilayer MoS2 and MoSe2 field-effect transistors

In field-effect transistors (FETs) with two-dimensional (2D) transition metal dichalcogenide channels, the dependence of field-effect mobility on atomic layer thickness has been studied and interpreted in terms of interface scattering and interlayer coupling resistance (Rint). However, a model for 1/f noise, such as in MoS2 and in MoSe2 FETs, for various contact metals and layer number thicknesses has not been reported. In this work, we have experimentally studied current–voltage and 1/f noise on MoS2 and MoSe2 FETs with source and drain contacts of high and low work function metals to understand both the mobility and the noise behavior. We have developed a noise model incorporating layer number dependent Hooge parameters and Rint. The noise and mobility models utilize screening lengths for charge, mobility, and Hooge parameter to describe the variation of these quantities with a layer number. Using our single model topology with appropriate fitting parameters for each material and each contact metal, the model captures the experimentally observed layer thickness dependence of the Hooge parameter. Our noise analysis is fully comprehensive and, hence, could be applied to any 2D layered systems.

Kwon, Jiseok↗
DOE OSTI2023

Deducing neutron star equation of state parameters directly from telescope spectra with uncertainty-aware machine learning

Neutron stars provide a unique laboratory for studying matter at extreme pressures and densities. While there is no direct way to explore their interior structure, X-rays emitted from these stars can indirectly provide clues to the equation of state (EOS) of the superdense nuclear matter through the inference of the star's mass and radius. However, inference of EOS directly from a star's X-ray spectra is extremely challenging and is complicated by systematic uncertainties. The current state of the art is to use simulation-based likelihoods in a piece-wise method which relies on certain theoretical assumptions and simplifications about the uncertainties. It first infers the star's mass and radius to reduce the dimensionality of the problem, and from those quantities infer the EOS. Here we demonstrate a series of enhancements to the state of the art, in terms of realistic uncertainty quantification and a path towards circumventing the need for theoretical assumptions to infer physical properties with machine learning. We also demonstrate novel inference of the EOS directly from the high-dimensional spectra of observed stars, avoiding the intermediate mass-radius step. Our network is conditioned on the sources of uncertainty of each star, allowing for natural and complete propagation of uncertainties to the EOS.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Machine learning materials properties with accurate predictions, uncertainty estimates, domain guidance, and persistent online accessibility

One compelling vision of the future of materials discovery and design involves the use of machine learning (ML) models to predict materials properties and then rapidly find materials tailored for specific applications. However, realizing this vision requires both providing detailed uncertainty quantification (model prediction errors and domain of applicability) and making models readily usable. At present, it is common practice in the community to assess ML model performance only in terms of prediction accuracy (e.g. mean absolute error), while neglecting detailed uncertainty quantification and robust model accessibility and usability. Here, we demonstrate a practical method for realizing both uncertainty and accessibility features with a large set of models. We develop random forest ML models for 33 materials properties spanning an array of data sources (computational and experimental) and property types (electrical, mechanical, thermodynamic, etc). All models have calibrated ensemble error bars to quantify prediction uncertainty and domain of applicability guidance enabled by kernel-density-estimate-based feature distance measures. All data and models are publicly hosted on the Garden-AI infrastructure, which provides an easy-to-use, persistent interface for model dissemination that permits models to be invoked with only a few lines of Python code. We demonstrate the power of this approach by using our models to conduct a fully ML-based materials discovery exercise to search for new stable, highly active perovskite oxide catalyst materials.

domain of applicability↗
DOE OSTI2020

RNAcentral 2021: secondary structure integration, improved sequence search and new member databases

RNAcentral is a comprehensive database of non-coding RNA (ncRNA) sequences that provides a single access point to 44 RNA resources and >18 million ncRNA sequences from a wide range of organisms and RNA types. RNAcentral now also includes secondary (2D) structure information for >13 million sequences, making RNAcentral the world’s largest RNA 2D structure database. The 2D diagrams are displayed using R2DT, a new 2D structure visualization method that uses consistent, reproducible and recognizable layouts for related RNAs. The sequence similarity search has been updated with a faster interface featuring facets for filtering search results by RNA type, organism, source database or any keyword. This sequence search tool is available as a reusable web component, and has been integrated into several RNAcentral member databases, including Rfam, miRBase and snoDB. To allow for a more fine-grained assignment of RNA types and subtypes, all RNAcentral sequences have been annotated with Sequence Ontology terms. The RNAcentral database continues to grow and provide a central data resource for the RNA community. RNAcentral is freely available at https://rnacentral.org.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Meter-scale van der Waals films manufactured via one-step roll printing

A weak van der Waals (vdW) force in layered materials enables their isolation into thin flakes through mechanical exfoliation while sustaining their intrinsic electronic and optical properties. Here, we introduce a universal roll-printing method capable of producing vdW multilayer films on wafer-to-meter scale. This process uses sequential exfoliation and transfer of layered materials from the powder sources to target substrates through a repeated rolling of a cylindrical metal drum. We achieve uniformly coated films with a library of vdW powders on various mechanically rigid and flexible substrates. The printed films are configured into different devices including light-emitting diodes and photodetectors. The presented technique offers substantial benefits in terms of cost efficiency and a low thermal budget while offering high material quality.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Deffe: A Data-efficient Framework for Performance Characterization in Domain-Specific Computing

Predicting workload performance is a crucial task for many architecture and system research. In this paper we present De￿e, a framework to estimate the workload performances under varying architectural configurations. The infrastructure component of Deffe is based on scalable and easy-to-use open-source software components. By casting the performance modeling as transfer learning tasks, the modeling component of Deffe can leverage the learned knowledge on one workload, and “transfer” it to a new workload. Extensive experimental results show that the method can achieve superior testing accuracy with an effective reduction of 32-80x in terms of the amount of required training data.

Liu, Frank↗
DOE OSTI2024

Performance Year 1 Technical Report - OPEN COG Grid: Extendable Coherent Models-Datasets for Cognitive Power Grids

The OPEN COG Grid project is a collaborative effort between LLNL, NREL, and Texas A&M University (TAMU) to develop synthetic power system datasets that (i) contain all technical information that would be available in a real system, allowing to conduct studies ranging from dynamic simulation to long term planning studies; ii) are accessible to researchers from the broader data sciences community, as oppossed to power system experts only; and (iii) This report summarizes the work conducted during the first 15 months of execution of the project. These activities encompassed: 1. Conduct a survey of existing open data sets and open source power systems simulators, their supported use cases, and accessibility (Chapter 1). 2. Define a new extensible specification for power system data, covering all parameters necessary for most computational use cases (Chapter 2). 3. Collecting real technical system data to complete missing parameters in existing open source datasets (Chapter 3). 4. Develop models that capture the behavior of emergent actors in power grids, neglected by existing datasets; aggregated residential demand response (Chapter 4) and demand response of cryptocurrency miners (Chapter 5). 5. Collect detailed spatial information on distributed energy resources, particular, solar photovoltaic facilities (Chapter 6). The following chapters provide detailed descriptions of these tasks, the assumptions taken, and their findings. In conducting these tasks, the project team produced: two (accepted) conference papers; one journal paper under submission; one draft journal paper pending submission; released one repository with the developed power system data specification, with documentation and examples; and one extended dataset for the Texas power grid under review for release. The team hopes these contributions will enhance access to power system data and remove barriers to the development of new computational techniques for power systems, particularly, those inspired by cognitive sciences.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Alpha Decay Chains as Thermal Power Sources: Analysis and Applications for RTGs

Radioactive sources can provide power in remote and environmentally harsh locations such as the arctic or space. The generators powered by such sources are rugged and can withstand extreme temperatures, lack of sunlight, and require no human intervention for multiple years. Radioisotopes are used in thermoelectric generators to provide power at remote sites and deep in space. Isotopes like Pu-238, Cm-244, and Am-241 are used in these generators by NASA for power in space probes and spacecrafts. These power sources deliver a steady supply of energy over extended periods of time. Alpha particles created during decay do not travel far in a material. Their kinetic energy is transferred to heat that we can then convert into energy. Unlike beta and gamma decay, the slower-moving alpha particles stop in the material, making their energy available for use. Energy from these natural decay processes provides a reliable source of power. Spontaneous fission is rare and unreliable, and unlike induced fission processes, alpha decay occurs naturally and does not require external management or ignition. The ideal properties of an isotope for use as a power source depend upon the intended use. For use in an Arctic research base over a period of several years, but less than a decade, an isotope that provides high power output over a shorter lifespan may be the most suitable option. Whereas, for deep space missions where a consistent power source for decades or perhaps more than 100 years is needed that would require a very different isotope. One with a much longer half-life that would provide consistent power throughout that time and survive in that state in for these extended periods of time. These examples represent two extreme sides in terms of time frames. By analyzing the power produced by different radioactive decay processes over time, we can evaluate the suitability of various isotope decay chains for specific uses. Some unstable isotopes undergo a series of radioactive decays, transforming into different isotopes at each step and resulting in a stable isotope. The lists of isotopes in these decay processes are known as decay chains. Some of these chains, illustrated in the figures below, are currently being investigated for use in radioisotope thermoelectric generators (RTGs) designed for a range of operational durations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Extrapolation of the Rainflow-Counted Load Ranges for Fatigue Assessment of the Wind Turbine's Blades

Wind turbine design standards recommend the use of statistical modeling coupled with extrapolation of the short-term load data to long-term periods for fatigue reliability assessment. However, statistical error and computational expense can limit the accuracy of such approaches. In the case of wind turbine blades, the errors are more significant because of the high material fatigue exponent that makes the damage estimations more sensitive to variations. In addition, due to different excitation sources, the flapwise load range histogram is not unimodal, and thus its statistical modeling is complex. In the present work, we provide three methods for statistical modeling of the flapwise bending moment ranges including a novel approach based on frequency-based separation of the modes. The first two methods are simplified approaches for modeling the most crucial load ranges using unimodal distributions and the third method involves multimodal distribution fitting. The research is based on 3600 10-minute aeroelastic simulations of DTU 10MW case study wind turbine from which a benchmark damage equivalent load (DEL) is calculated. The DEL calculated by each of the three proposed methods is compared to this reference. The results show that the conventional approach based on using 6 seeds as well as using mixture models fitted on the limited data lead to under-conservative results with errors up to 23%. On the other hand, the simplified unimodal approaches provided in this work can provide conservative estimations of the fatigue damage with mean values 5% and 12% higher than the benchmark. However, the variability of the DEL estimates is higher when using unimodal extrapolation of the load ranges, and the data can be conservative by 17.5%. The proposed unimodal fits suggested for modeling and extrapolation of the blade's load ranges provide less errors relatively and most importantly conservative DEL estimations while maintaining computational efficiency.

blade fatigue↗
DOE OSTI2020

Large contribution of organics to condensational growth and formation of cloud condensation nuclei (CCN) in the remote marine boundary layer

Marine low clouds strongly influence global climate, and their radiative effects are particularly susceptible to the concentration of cloud condensation nuclei (CCN). One major source of CCN is the condensational growth of pre-CCN particles, and sulfate has long been considered the major condensing species in the remote marine boundary layer. While some studies have suggested that secondary organic species can contribute to particle growth, its importance remains unclear. Here we present the first long-term observational evidence that organics play an important role in particle growth over remote oceans. To the contrary of traditional thinking, sulfate dominated condensational growth for only a small (~18 %) fraction of the 62 observed growth events, even fewer than the organic-dominated events (24 %). During most (58 %) growth events, the major condensing species included both organics and sulfate. Potential precursors of the secondary organics are volatile organic compounds from ocean biological activities and those produced by the air–sea interfacial oxidation. Our results indicate that the condensation of secondary organics contributes strongly to the growth of pre-CCN particles and thereby the CCN population over remote oceans.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Multi-channel, multi-template event reconstruction for SuperCDMS data using machine learning

SuperCDMS SNOLAB uses kilogram-scale germanium and silicon detectors to search for dark matter. Each detector has Transition Edge Sensors (TESs) patterned on the top and bottom faces of a large crystal substrate, with the TESs electrically grouped into six phonon readout channels per face. Noise correlations are expected among a detector's readout channels, in part because the channels and their readout electronics are located in close proximity to one another. Moreover, owing to the large size of the detectors, energy deposits can produce vastly different phonon propagation patterns depending on their location in the substrate, resulting in a strong position dependence in the readout-channel pulse shapes. Both of these effects can degrade the energy resolution and consequently diminish the dark matter search sensitivity of the experiment if not accounted for properly. We present a new algorithm for pulse reconstruction, mathematically formulated to take into account correlated noise and pulse shape variations. This new algorithm fits N readout channels with a superposition of M pulse templates simultaneously - hence termed the N$\times$M filter. We describe a method to derive the pulse templates using principal component analysis (PCA) and to extract energy and position information using a gradient boosted decision tree (GBDT). We show that these new N$\times$M and GBDT analysis tools can reduce the impact from correlated noise sources while improving the reconstructed energy resolution for simulated mono-energetic events by more than a factor of three and for the 71Ge K-shell electron-capture peak recoils measured in a previous version of SuperCDMS called CDMSlite to $<$ 50 eV from the previously published value of $\sim$100 eV. These results lay the groundwork for position reconstruction in SuperCDMS with the N$\times$M outputs.

Albakry, M. F. [British Columbia U.; TRIUMF]↗
DOE OSTI2025

Implementation of fuel management multi-cycle optimization capabilities in RAVEN optimization framework

Optimization in nuclear fuel-management assists the core reload engineer with finding optimal out-of-core and in-core strategies. RAVEN is INL’s open source software that is equipped with fuel-management optimization capabilities including single-cycle, single- and multi-objective optimization of pressurized water reactors (PWRs) loading patterns (LP) of a fresh core using genetic algorithm (GA) and non-dominated sorting genetic algorithm (NSGA-II). In practice, however, medium and long term planning of fuel-management needs a multi-cycle approach, where the history and availability of fuel assemblies is considered in the optimization process. In this paper, we present a description of an initial expansion of RAVEN fuel-management optimization capabilities for a multi-cycle optimization framework. N-th cycle optimization capabilities that account for the unique history of recycled fuel assembly in the core were added. The multi-cycle optimization approach taken is formulated as a cycle-wise optimization problem where out-of-core decisions are used to onset each cycle optimization. Out-of-core decisions are managed externally to the in-core optimization by a fuel inventory management module. A proof-of-concept optimization problem is also presented.

42 - ENGINEERING↗
DOE OSTI2022

Aerosol and Cloud Experiments in the Eastern North Atlantic (ACE-ENA)

With their extensive coverage, marine low clouds greatly impact global climate. Presently, marine low clouds are poorly represented in global climate models, and the response of marine low clouds to changes in atmospheric greenhouse gases and aerosols remains the major source of uncertainty in climate simulations. The Eastern North Atlantic (ENA) is a region of persistent but diverse subtropical marine boundary layer clouds, whose albedo and precipitation are highly susceptible to perturbations in aerosol properties. In addition, the ENA is periodically impacted by continental aerosols, making it an excellent location to study the cloud condensation nuclei (CCN) budget in a remote marine region periodically perturbed by anthropogenic emissions, and to investigate the impacts of long-range transport of aerosols on remote marine clouds. The Aerosol and Cloud Experiments in Eastern North Atlantic (ACE-ENA) campaign was motivated by the need of comprehensive in-situ measurements for improving the understanding of marine boundary layer CCN budget, cloud and drizzle microphysics, and the impact of aerosol on marine low cloud and precipitation. The airborne deployments took place from June 21 to July 20, 2017 and January 15 to February 18, 2018 in the Azores. The flights were designed to maximize the synergy between in-situ airborne measurements and ongoing long-term observations at a ground site. Here we present measurements, observation strategy, meteorological conditions during the campaign, and preliminary findings. Lastly, we discuss future analyses and modeling studies that improve the understanding and representation of marine boundary layer aerosols, clouds, precipitation, and the interactions among them.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Laboratory evaluation of open source and commercial electrical conductivity sensor precision and accuracy: How do they compare?

Variation in the electrical conductivity (EC) of water can reveal environmental disturbance and natural dynamics, including factors such as anthropogenic salinization. Broader application of open source (OS) EC sensors could provide an inexpensive method to measure water quality. While studies show that other water quality parameters can be robustly measured with sensors, a similar effort is needed to evaluate the performance of OS EC sensors. To address this need, we evaluated the accuracy (mean error, %) and precision (sample standard deviation) of OS EC sensors in the laboratory via comparison to EC calibration standards using three different OS and OS/commercial-hybrid (OS/C) EC sensors and data logger configurations and two commercial (C) EC sensors and data logger configurations. We also evaluated the effect of cable length (7.5 m and 30 m) and sensor calibration on OS sensor accuracy and precision. We found a significant difference between OS sensor mean accuracy (3.08%) and all other sensors combined (9.23%). Our study also found that EC sensor precision decreased across all sensor configurations with increasing calibration standard EC. There was also a significant difference between OS sensor mean precision (2.85 μS/cm) and the mean precision of all other sensors combined (9.12 μS/cm). Cable length did not affect OS sensor precision. Furthermore, our results suggest that future research should include evaluating how performance is impacted by combining OS sensors with commercial data loggers as this study found significantly decreased performance in OS/commercial-hybrid sensor configurations. To increase confidence in the reliability of OS sensor data, more studies such as ours are needed to further quantify OS sensor performance in terms of accuracy and precision across different settings and OS sensor and data collection platform configurations.

54 ENVIRONMENTAL SCIENCES↗