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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
NASA NTRS1994

Orientation effects on the measurement and analysis of critical CTOA in an aluminum alloy sheet

Fracture tests were conducted on 76.2mm wide, 2.3mm thick middle crack tension (M(T)) specimens machined from 2024-T3 aluminum sheet. The specimens were tested on the T-L orientation and comparisons were made to similar tests conducted in the L-T orientation. Measurement of critical crack tip opening angle (CTOA), applied stress, and crack front shape were made as a function of crack extension. A two-dimensional, elastic-plastic finite element analysis was used to simulate the fracture behavior for both orientations. The results indicate that the T-L orientation had a 10 percent lower stress at fracture than similar tests conducted in the L-T orientation. Correspondingly, the critical CTOA in the T-L tests reached a constant value of 4.7 degrees after 2-3mm of crack extension and the L-T tests reached a value of 6 degrees. The fracture surfaces of the T-L specimens were observed to remain flat, while those of the L-T specimens transitioned to a 45 degree slant fracture after about 2-3mm of crack extension. The tunneling behavior of the two orientations also differed; the T-L specimens reached a deeply tunneled stabilized crack front shape while, the L-T specimens were observed to have only a small amount of tunneling once the crack began to grow on the 45 degree slant. The two-dimensional, elastic-plastic finite element analysis was able to simulate the fracture behavior for both the T-L and L-T orientations.

Sutton, M. A.↗
DOE OSTI2024

Bibliometric Analysis of Critical Materials Innovation Hub Publications 2013–2022

The Critical Materials Innovation Hub (the CMI Hub, formerly known as the Critical Materials Institute or CMI) is a U.S. Department of Energy (DOE) Energy Innovation Hub led by Ames National Laboratory and supported by DOE. Established in 2013, the CMI Hub focuses on “technologies that make better use of materials and eliminate the need for materials that are subject to supply disruptions” (Ames National Laboratory 2024). The CMI Hub researchers regularly publish articles that describe their research and its results. Nexight Group conducted a bibliographic analysis of the CMI Hub’s publications to develop a profile of the CMI Hub’s research community, identify growing and emerging research fronts in critical materials, and describe the impact the CMI Hub’s publications have had on the research community. The analysis focused on 475 the CMI Hub publications from 2013 through 2022 that were covered by the Scopus database. Citation counts and other information on each publication (authors, author affiliation, keywords, references, etc.) were downloaded from Scopus in early December 2022.

36 MATERIALS SCIENCE↗
DOE OSTI2025

A Data Processing Pipeline To Extract A Knowledge Graph From Heterogeneous Data For Socio-technical Analysis Of Critical Infrastructure Influence

The code is written in Python and consists of the following pipeline that is implemented in Apache Airflow. This pipeline intends to understand the companies that are directly or indirectly involved with a type of critical infrastructure system at some point in that system's lifecycle. The pipeline takes a configuration file that specifies a list of initial companies to consider, a geographic region of interest, and a set of SEC form types as well as other data sources (e.g. CrunchBase) from which to extract entities and relations. There are four main components to this pipeline as currently implemented: Entity Extraction, Network Construction, Analysis, and Visualization. First, Entity Extraction, is implemented as the `topear-extract_organizations` Apache Airflow workflow. Given an initial query that specifies a geographic region of interest and a time interval, the software will extract CI facilities of interest and organizations that have a direct influence relationship to those facilities (e.g. ownership). During the course of the LDRD, we focused on Electric Vehicle charging stations and this information is available via the Department of Energy (DOE) database on fueling stations maintained by NREL. Within the context of the DOE CESER project, we have focused on Battery Energy Storage Systems (BESS). Second, the Network Extraction component will iteratively construct a social network graph given the set of organizations and people extracted in the previous step. Organizations (and eventually People if desired) are then fed as a query to the `topgear-construct_social_network` Apache Airflow workflow which given a set of initial companies and data sets (e.g. SEC EDGAR form types, OpenCorporates, Crunchbase). This Airflow workflow will iteratively query such data sources to discover relationships with new organizations and people. For example, this module can iteratively query SEC EDGAR for metadata that documents the number of each type of form for the given set of companies and their location. This forms metadata represents a catalog of data sources from SEC EDGAR for the extracted social network knowledge graph. The pipeline then downloads these forms from the website and saves them in a build directory for further processing. These documents are then parsed for entities and relations. Again, we note that in additional to SEC data sources, this step can also pull in information on organizations via API services such as CrunchBase and OpenCorporates or bulk data sources. At the end of this step, the resultant social network, the Critical Infrastructure network, and the edges that encode relationships between organizations and CI facilities, form the Adversarial Socio-Technical Network (ASTN) that informs the analysis. Third, the Analysis component processes these generated ASTN. Previously, that has included the ability to compare prevalence of different vendors for a given infrastructure component type across different regions as well as identify common public and private investors across those vendors. This was demonstrated for EV Charging Stations across several different metropolitan areas within an IEEE PES GridEdge publication. More recently, we have looked at ways to identify infrastructure owners and operators of BESS with the most nameplate capacity across different states as well as other indictors of risk resulting from changes in ownership over time. Finally, the Visualization component consists of an HTML/CSS/JS framework by which users can interact geospatial, operational, and organizational relationships across a given portfolio of Critical Infrastructure facilities. The objective is to provide a library of UI/UX modules that can be repurposed for stakeholder-specific dashboards. All of the modules are related via a common event model that enables UI actions in one view to percolate across the other views.

Weaver, Gabriel [Idaho National Laboratory (INL), ↗
DOE OSTI2022

Modelling single atom catalysts for water splitting and fuel cells: A tutorial review

Here, in this tutorial review, we report the state-of-the-art of the modeling approaches of Single Atom Catalysts (SAC) for water splitting and fuel cells reactions. The discussion applies for Hydrogen Evolution Reaction (HER), Oxygen Reduction Reaction (OER), Hydrogen Oxidation Reaction (HOR), and Oxygen Reduction Reaction (ORR). The main scope of this work is to underline the relevant aspects of SACs modelling. On the one hand, the review could help computational chemists aiming to start the study of SACs. On the other hand, experimentalists could find the critical analysis of DFT results of interest to understand better the strengths and weaknesses of simulations, and how to interpret computational results. After an introductory section of SACs, we start by briefly presenting the state-of-the-art methodologies. Then, we analyze the critical aspects for a reliable prediction of the electronic properties, and we discuss the robustness of the structural models and ways to validate them. Furthermore, we discuss the main approaches to predict catalytic activity and selectivity, which is the final goal of the computational catalysis. We conclude this review with a critical analysis of the current challenges in the field, and the main limitations of the modeling approaches that are described.

25 ENERGY STORAGE↗
DOE OSTI2026

Average hydrodynamic radius analysis reveals critical solvation thresholds in high-concentration lithium electrolytes

Understanding the solvation structures of lithium salts in carbonate- and ether-based electrolytes is central to explaining the exceptional stability of high-concentration electrolytes (HCEs) and localized high-concentration electrolytes (LHCEs). Conventional techniques such as vibrational spectroscopy and one-dimensional NMR provide only limited information, typically restricted to coordination ratios and ion-pair distributions, without revealing the actual size and mass of solution complexes. Here, in this study, we introduce an average hydrodynamic radius (AHR) analysis based on internally referenced DOSY NMR, which enables direct estimation of the average volume and molecular weight of lithium–solvent complexes in solution. Using LiFSI–EMC and LiFSI–EMC–TTE electrolytes, we demonstrate that the onset of effective lithium metal stabilization and aluminum corrosion suppression coincides with the formation of very large complexes, whose average volume exceeds 300 times that of free EMC molecules. This finding supports a new “blocking mechanism,” wherein bulky solvated complexes impede direct solvent access to reactive surfaces. The AHR analysis thus not only clarifies the fundamental origin of HCE and LHCE effectiveness, but also provides a broadly applicable experimental framework for probing complex solvation structures and guiding rational electrolyte design.

Concentrated electrolytes↗
DOE OSTI2020

Leveraging Actinide Hydrolysis Chemistry for Targeted Th and U Separations using Amidoxime-Functionalized Poly(HIPE)s

Polymerized high internal phase emulsions (poly(HIPE)s) are porous polymer monoliths whose synthesis can easily be tailored to allow incorporation of functional units. In this work, nitrile containing poly(HIPE)s have been prepared with either acrylonitrile (AN) or 4-cyanostyrene (4CS) comonomers. Post-synthetic modification of these nitrile-containing poly(HIPE)s yields their corresponding amidoximated analogues, which were studied for actinide uptake. These amidoxime-functionalized, porous polymers were shown to adsorb 95 % Th4+ species from aqueous solution within 30 minutes. In contrast to other amidoxime containing polymers the uptake of UO22+ in these poly(HIPE)s is lower under similar conditions. A critical analysis of actinide separations and high-energy X-ray scattering data provides insight into the polymers’ selectivity, enabled by the uptake of multinuclear Th clusters.

actinides↗
DOE OSTI2024

A Data Processing Pipeline To Extract A Knowledge Graph From Sec Documents For Socio-technical Analysis Of Critical Infrastructure Influence

The code is written in Python and consists of the following pipeline that is implemented in Apache Airflow. This pipeline intends to understand the companies that are directly or indirectly involved with a type of critical infrastructure system at some point in that system's lifecycle. The pipeline takes a configuration file that specifies a list of initial companies to consider, a geographic region of interest (disk) expressed as a latitude/longitude point and distance, and a set of SEC form types from which to extract entities and relations. There are three main components to this pipeline as currently implemented: Social Network Extraction, Critical Infrastructure Network Extraction, and Inference and Fusion. First, Social Network Extraction, implemented as the `organizations_sec` component of the workflow graph queries the SEC EDGAR webservice using the list of initial companies from the configuration file. Given this, it extracts metadata that documents the number of each type of form for the given set of companies and their location. This forms metadata represents a catalog of data sources for the extracted social network knowledge graph. The pipeline then downloads these forms from the website and saves them in a build directory for further processing. These documents are then parsed for entities and relations. Second, the Critical Network Extraction component extracts entities and relations for a critical infrastructure sector. Currently, we focus on Electric Vehicle charging stations and this information is available via the Department of Energy (DOE) database on fueling stations maintained by NREL. Third, the Inference and Fusion component relates the social network graph to the critical infrastructure graph in order to understand the impact of a company within a geographic region. Relations include ownership of the EV Charging Station asset as well as maintenance/ownership of the EV payment networks. The fused network can be represented in many ways and currently we emit a knowledge graph.

Weaver, GabrielA.↗
DOE OSTI2025

Development of High Energy Resolution Fluorescence Detection Methods for Advanced Microscale X-ray Absorption Fine Structure Analysis of Critical Elements (Final Report)

This project is developing High-Energy Resolution Fluorescence Detection (HERFD) X-ray Absorption Fine-Structure Spectroscopy (XAFS) at the hard X-ray microprobe beamline at GSECARS beamline 13-ID-E, at the Advanced Photon Source at Argonne National Laboratory. This enhancement will improve sensitivity and spectral interpretation limitations of conventional XAFS which uses energy dispersive solid-state detectors (SSD) to measure the total fluorescence yield (TFY-XAFS). By using high-quality Si and Ge crystal analyzers to select X-ray fluorescence (XRF) from specific emission lines, background signals from other elements or X-ray scattering that can paralyze SSDs can be nearly eliminated, improving the sensitivity to the oxidation and chemical state of dilute species even though the solid angle of the analyzers is relatively small. Furthermore, by using analyzers of low-strain Si or Ge, the energy selection can be smaller than the natural widths of the core electron level. We are particularly interested in applying these enhanced sensitivities to Lanthanide series of rare-earth elements, which are typically at concentrations at or below 10 ppm, and where spectral overlaps with the 3rd row transition metals degrade sensitivity.

47 OTHER INSTRUMENTATION↗
NASA NTRS1972

Mixed-venous oxygen tension by nitrogen rebreathing - A critical, theoretical analysis.

There is dispute about the validity of the nitrogen rebreathing technique for determination of mixed-venous oxygen tension. This theoretical analysis examines the circumstances under which the technique is likely to be applicable. When the plateau method is used the probable error in mixed-venous oxygen tension is plus or minus 2.5 mm Hg at rest, and of the order of plus or minus 1 mm Hg during exercise. Provided, that the rebreathing bag size is reasonably chosen, Denison's (1967) extrapolation technique gives results at least as accurate as those obtained by the plateau method. At rest, however, extrapolation should be to 30 rather than to 20 sec.

Kelman, G. R.↗
NASA NTRS1975

M-071 critical data analysis

A prototype balance study was conducted on earth prior to the balance studies conducted in Skylab itself. Collected were daily dietary intake data of 6 minerals and nitrogen, and fecal and urinary outputs on each of three astronauts. Essential statistical issues show what quantities need to be estimated and establish the scope of inference associated with alternative variance estimates. The procedures for obtaining the final variability due both to errors of measurement and total error (total = measurement and biological variability) are exhibited.

Hegsted, D. M.↗
NASA NTRS1983

Analysis and critical assessment of the current and near future plans of the Brazilian satellite applications program and its role in the global space program

Brazilian programs using satellites for remote sensing, meteorology and communications are analyzed including their current status and near future plans. The experience gained and available information are used to critically discuss some aspects of great importance for the existing and prospective user countries.

Parada, N. D. J.↗
NASA NTRS1983

Measurement and analysis of critical crack tip processes associated with variable amplitude fatigue crack growth

Crack growth retardation following overloads can result in overly conservative life predictions in structures subjected to variable amplitude fatigue loading when linear damage accumulation procedures are employed. Crack closure is believed to control the crack growth retardation, although the specific closure mechanism is debatable. Information on the relative contributions to crack closure from: (1) plasticity left in the wake of the advancing crack and (2) crack tip residual stresses is provided. The delay period and corresponding crack growth rate transients following overloads are systematically measured as a function of load ratio (R) and overload magnitude. These responses are correlated in terms of the local 'driving force' for crack growth as measured by crack tip opening loads and delta K sub eff. The latter measurements are obtained using a scanning electron microscope equipped with a cyclic loading stage; measurements are quantified using a relatively new stereoimaging technique. Combining experimental results with analytical predictions suggests that both plastic wake and residual stress mechanism are operative, the latter becoming predominate as R increases.

Hudak, S. J., Jr.↗