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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 OSTI2021

Challenges and Advances in Information Extraction from Scientific Literature: a Review

Scientific articles have long been the primary means of disseminating scientific discoveries. Over the centuries, valuable data and potentially groundbreaking insights have been collected and buried deep in the mountain of publications. In materials engineering, such data are spread across technical handbooks specification sheets, journal articles, and laboratory notebooks in myriad formats. Extracting information from papers on a large scale has been a tedious and time-consuming job to which few researchers have wanted to devote their limited time and effort, yet is an activity that is essential for modern data-driven design practices. However, in recent years, significant progress has been made by the computer science community on techniques for automated information extraction from free text. Yet, transformative application of these techniques to scientific literature remains elusive-due not to a lack of interest or effort but to technical and logistical challenges. Using the challenges in the materials science literature as a driving motivation, we review the gaps between state-of-the-art information extraction methods and the practical application of such methods to scientific texts, and offer a comprehensive overview of work that can be undertaken to close these gaps.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2023

Sputter-Deposited Mo Thin Films: Multimodal Characterization of Structure, Surface Morphology, Density, Residual Stress, Electrical Resistivity, and Mechanical Response

Multimodal datasets of materials are rich sources of information which can be leveraged for expedited discovery of process–structure–property relationships and for designing materials with targeted structures and/or properties. For this data descriptor article, we provide a multimodal dataset of magnetron sputter-deposited molybdenum (Mo) thin films, which are used in a variety of industries including high temperature coatings, photovoltaics, and microelectronics. In this dataset we explored a process space consisting of 27 unique combinations of sputter power and Ar deposition pressure. Here, the phase, structure, surface morphology, and composition of the Mo thin films were characterized by x-ray diffraction, scanning electron microscopy, atomic force microscopy, and Rutherford backscattering spectrometry. Physical properties—namely, thickness, film stress and sheet resistance—were also measured to provide additional film characteristics and behaviors. Additionally, nanoindentation was utilized to obtain mechanical load-displacement data. The entire dataset consists of 2072 measurements including scalar values (e.g., film stress values), 2D linescans (e.g., x-ray diffractograms), and 3D imagery (e.g., atomic force microscopy images). An additional 1889 quantities, including film hardness, modulus, electrical resistivity, density, and surface roughness, were derived from the experimental datasets using traditional methods. Minimal analysis and discussion of the results are provided in this data descriptor article to limit the authors’ preconceived interpretations of the data. Overall, the data modalities are consistent with previous reports of refractory metal thin films, ensuring that a high-quality dataset was generated. The entirety of this data is committed to a public repository in the Materials Data Facility.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Review of Codes and Standards for Energy Storage Systems

This article identifies several examples of industry efforts and successes in removing gaps in energy storage (ES) Codes & Standards (C&S) by updating or creating and publishing new standards. A particular challenge discussed in this article is that while modern battery technologies including lithium ion (Li-ion) increase technical and economic viability of grid energy storage, newer battery technologies also present new or unknown risks to managing the safety of energy storage systems (ESS). There has been progress in filling gaps in published ES C&S that recognize and address the expanding range of technologies and their unique characteristics. However, there remain significant need and opportunity for researchers to contribute to the underlying knowledge base that informs development of technical references and standards, and ultimately the application of published standards for the effective and safe design and use of modern ESS.

Energy Storage, Codes and Standards↗
DOE OSTI2020

Design for Recycling Principles Applicable to Selected Clean Energy Technologies: Crystalline-Silicon Photovoltaic Modules, Electric Vehicle Batteries, and Wind Turbine Blades

Abstract The global growth of clean energy technology deployment will be followed by parallel growth in end-of-life (EOL) products, bringing both challenges and opportunities. Cumulatively, by 2050, estimates project 78 million tonnes of raw materials embodied in the mass of EOL photovoltaic (PV) modules, 12 billion tonnes of wind turbine blades, and by 2030, 11 million tonnes of lithium-ion batteries. Owing partly to concern that the projected growth of these technologies could become constrained by raw material availability, processes for recycling them at EOL continue to be developed. However, none of these technologies are typically designed with recycling in mind, and all of them present challenges to efficient recycling. This article synthesizes and extends design for recycling (DfR) principles based on a review of published industrial and academic best practices as well as consultation with experts in the field. Specific principles developed herein apply to crystalline-silicon PV modules, batteries like those used in electric vehicles, and wind turbine blades, while a set of broader principles applies to all three of these technologies and potentially others. These principles are meant to be useful for stakeholders—such as research and development managers, analysts, and policymakers—in informing and promoting decisions that facilitate DfR and, ultimately, increase recycling rates as a way to enhance the circularity of the clean energy economy. The article also discusses some commercial implications of DfR. Graphical Abstract

36 MATERIALS SCIENCE↗
DOE OSTI2021

Quantum Divide and Compute: Exploring the Effect of Different Noise Sources

Abstract Our recent work (Ayral et al. in Proceedings of IEEE computer society annual symposium on VLSI, ISVLSI, pp 138–140, 2020. 10.1109/ISVLSI49217.2020.00034 ) showed the first implementation of the Quantum Divide and Compute (QDC) method, which allows to break quantum circuits into smaller fragments with fewer qubits and shallower depth. This accommodates the limited number of qubits and short coherence times of quantum processors. This article investigates the impact of different noise sources—readout error, gate error and decoherence—on the success probability of the QDC procedure. We perform detailed noise modeling on the Atos Quantum Learning Machine, allowing us to understand tradeoffs and formulate recommendations about which hardware noise sources should be preferentially optimized. We also describe in detail the noise models we used to reproduce experimental runs on IBM’s Johannesburg processor. This article also includes a detailed derivation of the equations used in the QDC procedure to compute the output distribution of the original quantum circuit from the output distribution of its fragments. Finally, we analyze the computational complexity of the QDC method for the circuit under study via tensor-network considerations, and elaborate on the relation the QDC method with tensor-network simulation methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Functional fiber-optic sensors embedded in stainless steel components using ultrasonic additive manufacturing for distributed temperature and strain measurements

The nuclear industry is progressing toward microreactors that can be factory assembled and deployed to remote regions for reliable, scalable power generation. However, the reduced power output requires enhanced monitoring capabilities to reduce staffing and eventually move toward autonomous control to improve the economics of microreactors. The ability to embed sensors such as fiber-optics, which can provide spatially distributed temperature and strain measurements, within microreactor components for real-time health monitoring would be particularly advantageous. Recent advances in ultrasonic additive manufacturing (UAM) have demonstrated the successful embedding of fiber-optics in soft materials such as Al and Cu by placing the sensors in machined cavities and ultrasonically welding over the top with thin foils. This article reports the first successful embedment of fiber-optic sensors and thermocouples within a common nuclear reactor material, SS304, via UAM. UAM parameters were first explored with simple plate geometries before moving to more complex geometries, such as pipes and other test articles for heat pipe–based microreactors. Select samples were sectioned for microscopy to evaluate the sensor/foil and foil/foil interfaces from samples fabricated by using 100% SS304 foils vs. foils plated with a Ni coating to improve UAM bonding. Furthermore, embedding metal-coated, low-bend loss fibers resulted in greatly reduced signal attenuation and adequate compressive residual strain in the embedded region to ensure successful strain coupling. Pipe specimen functional testing was performed by monitoring temperature and strain during transient and steady-state thermal testing.

36 MATERIALS SCIENCE↗
DOE OSTI2020

A review of SWAT applications, performance and future needs for simulation of hydro-climatic extremes

Hydro-climatic extremes, such as droughts and floods, have most likely increased due to climatic change and could lead to severe impacts on socio-economic, structural and environmental sectors. With nearly 4000 publications, the Soil and Water Assessment Tool (SWAT) is clearly one of the most extensively used ecohydrological models worldwide. The model has been widely used for projecting the impacts of future hydro-climatic changes, but application for extreme streamflow conditions is still rarely reported. To date, SWAT application reviews have focused on compilations of SWAT studies for specific or relatively new applications such as eco-hydrological modelling, ecosystem services, sub-daily simulations, and pesticide fate and transport simulations. However, no existing SWAT review studies have focused on simulation of hydro-climatic extremes. Furthermore, this research aims to bridge this gap by compiling and reviewing the findings of studies reporting SWAT hydro-climatic extremes including highlighting the performance and future research needs. A total of 111 articles have been identified since 1999; most of these studies were conducted in the United States and China. These articles can be divided into extreme flow assessments, drought studies, flood studies, drought and flood studies, SWAT coupling with other models, and SWAT improvements. Most of the extreme performance assessment studies reported “satisfactory ”performance, with a particular emphasis on peak flow comparisons. Future research needs regarding this topic include: (1) a unified SWAT extreme performance assessment framework; (2) SWAT improvements that result in improved replication of peak and low flows; (3) reliability assessment of global and satellite products for SWAT extreme simulations; (4) bias correction of CMIP6 and regional climate projections; (5) comparison of SWAT + and SWAT for extreme flow simulations in different types of basins; (6) development of an extreme flow module within an overall SWAT modelling system; and (7) integration of artificial intelligence within SWAT modelling.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

MURR LEU structural and thermal hydraulics analyses: Part II – Impacts of irradiation thermo-mechanical behavior on thermal hydraulics safety analyses

A series of structural analyses have been performed to support the conversion of the University of Missouri Research Reactor (MURR) from the use of highly enriched uranium (HEU; ≥20 wt% U-235) to low-enriched uranium (LEU; <20 wt% U-235) fuel. The irradiation thermo-mechanical analysis evaluated the effects of fuel swelling, irradiation creep, thermal expansion, as well as thermal resistance from the oxide layer growth for the MURR LEU element in prototypic thermal and irradiation conditions as presented in Part I of this article. Overall, this irradiation thermo-mechanical analysis predicts smaller gap thickness reductions in previously limiting regions, and larger reductions in the middle of the outermost end channels where power density is not typically a maximum. Due to substantial differences between the channel gap reductions assumed for the previous safety analyses and those predicted by the irradiation thermo-mechanical analysis, a need to evaluate their impact on the thermal hydraulics safety analyses arose. This article presents the results from the steady-state safety analysis for normal operation as well as the two most limiting accident scenarios. The calculation models were revised in order to account for the spatial and temporal variation of the channel gap thicknesses. The results show that sufficient safety margins are still maintained for normal operation as well as during the postulated accident transients. This work provides a methodology of incorporating the irradiation thermo-mechanical behavior of plate-type fuel into the thermal hydraulics safety analyses.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Low-energy effective quantum field theoretic description of excitations about soliton configurations

Solitons are the classical field configurations connecting two trivial vacua. These are also the solutions of classical field equations of motion with particle-like properties. Moreover, they are localized in space, having finite energy, and are stable against decay into radiation. The coherent state description of kink-solitons is discussed in the present article. Further, the relation between topological solitons and occupation numbers corresponding to low momentum excitations are also discussed coherently. The description of the low energy excitations about solitons in quantum field theory is the main theme of this article. Further, a few physical observables, namely some low order correlation functions, are computed up to certain integral forms. Furthermore, we have shown that it is possible to detect the presence of soliton-like classical configurations in many-particle systems from the nature of the one-point function and non-conservation of momentum feature of one-point, two-point and three-point functions in this low-energy effective field theory of these excitations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Minimizing energy demand and environmental impact for sustainable NH 3 and H 2 O 2 production—A perspective on contributions from thermal, electro-, and photo-catalysis

There is an urgent need to provide adequate and sustainable supplies of water and food to satisfy the demand of an increasing population. Catalysis plays important roles in meeting these needs by facilitating the synthesis of hydrogen peroxide that is used in water decontamination and chemicals production, and ammonia that is used as fertilizer. However, these chemicals are currently produced with processes that are either very energy-intensive or environmentally unfriendly. This article offers the perspectives of the challenges and opportunities in the production of these chemicals, focusing on the roles of catalysis in more sustainable, alternative production methods that minimize energy consumption and environmental impact. While not intended to be a comprehensive review, the article provides a critical review of selected literature relevant to its objectives, discusses areas needed for further research, and potential new directions inspired by new developments in related fields. For each chemical, production by thermal, electro-, and photo-excited processes are discussed. Problems that are common to these approaches and their differences are identified and possible solutions suggested.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Analysis of degradation in residential battery energy storage systems for rate-based use-cases

This article examines the impact of residential battery energy storage (BES) systems' operational modes on the life (i.e. usable energy capacity) of the battery under several climatic conditions and battery chemistries. The sharp increase in residential BES installations has been a result of decreasing costs of batteries, increase in rate structures motivated applications such as solar self-consumption and time-of-use energy management, and customers purchasing these systems for backup power. While these different modes of operations provide a combination of increased bill savings, reliability of supply, and energy sustainability to the customer, their operational characteristics vary significantly between use-cases. Functional life of BES systems is known to be strongly dependent on their operating conditions. In this article, we analyze the operation of residential BES systems under different rate-based use-cases, for different battery chemistries and cell designs, and under different environmental conditions. This is conducted by simulating the control of BES operations using rate-based cycling algorithms and analyzing the prognosis of multiple battery lifetime models that consider complex nonlinear dependencies of operational stress factors such as state-of-charge, depth-of-discharge, and temperature on degradation. Significant variations in battery life are observed owing to the differences in characteristics of the uses-cases coupled with environmental conditions and battery chemistries. Such differences lead to the conclusion that choice of residential BES technologies and chemistries should account for their intended use-cases.

25 ENERGY STORAGE↗
DOE OSTI2022

Introduction to the special section on learning and security for multi-agent systems

This report features six articles that provide an overview of the emerging research topics at the intersection learning, security, and multi-agent systems. Recent years have witnessed a surge in the number of works at their intersections, and they have appeared in system and control communities as well as many other communities in artificial intelligence, cyber–physical systems, and economics. The articles in this special section give accessible and comprehensive tutorials and surveys for a broad systems and control audience, covering topics including adversarial machine learning, multi-agent reinforcement learning, cyber resilience, resilient control systems, and game design. It is hopeful that this special section will spawn future interest and cross-disciplinary collaborations in this emerging transdisciplinary research area.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Editorial: Advances in computational molecular biophysics

This special issue of BBA is dedicated to Dr. Jeremy C. Smith on the occasion of his 60th birthday and his more than three decades as a practitioner of computational molecular biophysics. The special issue showcases cutting-edge work in computational molecular biophysics. The senior authors of the manuscripts in this issue are Dr. Smith’s previous or present collaborators. Their articles reflect Dr. Smith’s distinguished career integrating experimental and molecular simulation approaches into a unified description of the function, structure, and dynamics of biomolecules. Each of the articles presented here illustrates one aspect of the broad nature of computational molecular biophysics.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Fundamentals of bio-electrochemical sensing

The utilization of bio-functionalities such as biorecognition or catalysis derived them their name biosensors. Bio-electrochemical sensing is a new discipline that combines the advantages of biological detection and electrochemical transduction. Bio-electrochemical sensors are devices that use biological materials such as enzymes, antibodies, DNA, or cells as receptors to detect target analytes in a variety of samples. Electrodes convert biological interactions into electrical impulses, which can be studied using various electrochemical techniques. Bio-electrochemical sensors have demonstrated significant promise for use in clinical diagnostics, environmental monitoring, food safety, and biotechnology. Biosensors have received numerous applications in recent years because they are fast, simple, and inexpensive for practical applications. In this article, we cover the basic principles, design strategies, immobilization and regeneration techniques, along with the advantages and applications of bio-electrochemical sensors. Finally, this article discusses the rationale for developing electrochemical biosensors in the context of the various bio-receptors that can be applied.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Converting sWeights to probabilities with density ratios

The use of machine learning approaches continues to have many benefits in experimental nuclear and particle physics. One common issue is generating training data which is sufficiently realistic to give reliable results. Here we advocate using real experimental data as the source of training data and demonstrate how one might subtract background contributions through the use of probabilistic weights which can be readily applied to training data. The sPlot formalism is a common tool used to isolate distributions from different sources. However, the negative sWeights produced by the sPlot technique can cause training problems and poor predictive power. This article demonstrates how density ratio estimation can be applied to convert sWeights to event probabilities, which we call drWeights. The drWeights can then be applied to produce the distributions of interest and are consistent with direct use of the sWeights. This article will also show how decision trees are particularly well suited to convert sWeights, with the benefit of fast prediction rates and adaptability to aspects of experimental data such as the data sample size and proportions of different event sources. We also show that a density ratio product approach in which the initial drWeights are reweighted by an additional converter gives substantially better results.

Glazier, Derek I. [Univ. of Glasgow, Scotland (Uni↗
DOE OSTI2024

Visualizing metagenomic and metatranscriptomic data: A comprehensive review

The fields of Metagenomics and Metatranscriptomics involve the examination of complete nucleotide sequences, gene identification, and analysis of potential biological functions within diverse organisms or environmental samples. Despite the vast opportunities for discovery in metagenomics, the sheer volume and complexity of sequence data often present challenges in processing analysis and visualization. This article highlights the critical role of advanced visualization tools in enabling effective exploration, querying, and analysis of these complex datasets. Emphasizing the importance of accessibility, the article categorizes various visualizers based on their intended applications and highlights their utility in empowering bioinformaticians and non-bioinformaticians to interpret and derive insights from meta-omics data effectively.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Annual PM2.5 and cardiovascular mortality rate data: Trends modified by county socioeconomic status in 2,132 US counties

This article contains data on county-level socioeconomic status for 2132 US counties and each county's average annual cardiovascular mortality rate (CMR) and fine particulate matter (PM2.5) concentration for 21 years (1990e2010). County CMR, PM2.5, and socioeconomic data were obtained from the US National Center for Health Statistics, US Environmental Protection Agency's Community Multiscale Air Quality modeling system, and the US Census, respectively. Annual socioeconomic indices were created using seven county-level measures from the 1990, 2000, and 2010 US Census using factor analysis. Quintiles of this index were used to generate categories of county socioeconomic status. This national data set contains data for annual PM2.5 and CMR changes over a time-period when there was a significant reduction in US air pollutants (following the enactment of the 1970 Clean Air Act). These data are associated with the article “The contribution of improved air quality to reduced cardiovascular mortality: Declines in socioeconomic differences over time” [1]. Data are stored in a comma separated value format and can be downloaded from the USEPA ScienceHub data repository (https://doi.org/10.23719/ 1506014).

Socioeconomic status↗