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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 271 records · Page 15

Unveiling Highly Sensitive Active Site in Atomically Dispersed Gold Catalysts for Enhanced Ethanol Dehydrogenation

Developing a desirable ethanol dehydrogenation process necessitates a highly efficient and selective catalyst with low cost. Herein, we show that the “complex active site” consisting of atomically dispersed Au atoms with the neighboring oxygen vacancies (Vo) and undercoordinated cation on oxide supports can be prepared and display unique catalytic properties for ethanol dehydrogenation. The “complex active site” Au–Vo–Zr 3+ on Au 1 /ZrO 2 exhibits the highest H 2 production rate, with above 37,964 mol H 2 per mol Au per hour (385 g H 2 $\text{g}^{-1}_{\text{Au}} \text{h}^{–1}$) at 350 °C, which is 3.32, 2.94 and 15.0 times higher than Au 1 /CeO 2 , Au 1 /TiO 2 , and Au 1 /Al 2 O 3 , respectively. Combining experimental and theoretical studies, we demonstrate the structural sensitivity of these complex sites by assessing their selectivity and activity in ethanol dehydrogenation. Our study sheds new light on the design and development of cost-effective and highly efficient catalysts for ethanol dehydrogenation. Fundamentally, atomic-level catalyst design by colocalizing catalytically active metal atoms forming a structure-sensitive “complex site”, is a crucial way to advance from heterogeneous catalysis to molecular catalysis. Finally, our study advanced the understanding of the structure sensitivity of the active site in atomically dispersed catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Ground state in the novel dimer iridate Ba 13 Ir 6 O 30 with Ir 6+ (5$d^3$) ions

We have synthesized and studied an iridate, Ba 13 Ir 6 O 30 , with unusual Ir oxidation states: 2/3 Ir 6+ (5$d^3$) ions and 1/3 Ir 5+ (5$d^4$) ions. Its crystal structure features dimers of face-sharing IrO 6 octahedra, and IrO 6 monomers that are linked via long, zigzag Ir-O-Ba-O-Ir pathways. Nevertheless, Ba 13 Ir 6 O 30 exhibits two transitions at $T_{\text{N}1}$ = 4.7K and $T_{\text{N}2}$ = 1.6 K. This magnetic order is accompanied by a huge Sommerfeld coefficient 200 mJ/mole K 2 below $T_{\text{N}2}$, signaling a coexisting frustrated/disordered state persisting down to at least 0.05 K. This iridate hosts unusually large $J_{\text{eff}}$ = 3/2 degrees of freedom, which is enabled by strong spin-orbit interactions (SOI) in the monomers with Ir 6+ ions and a joint effect of molecular orbitals and SOI in the dimers occupied by Ir 5+ and Ir 6+ ions. Features displayed by the magnetization and heat capacity suggest that the combination of covalency, SOI, and large effective spins leads to highly frustrated ferrimagnetic ordering, an interesting feature of this high-spin iridate.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Interferometric measurements of refractive index and dispersion at high pressure

Abstract We describe a high precision interferometer system to measure the pressure dependence of the refractive index and its dispersion in the diamond anvil cell (DAC). The reflective Fabry–Perot fringe patterns created by both a white light and a monochromatic beam are recorded to determine both the sample thickness and its index at the laser wavelength and to characterize the dispersion in the visible range. Advances in sample preparation, optical setup, and data analysis enable us to achieve $$10^{-4}$$ 10 - 4 random uncertainty, demonstrated with an air sample, a factor of five improvement over the best previous DAC measurement. New data on $${\text{H}}_{2}\text{O}$$ H 2 O liquid water and ice VI up to 2.21 GPa at room temperature illustrate how higher precision measurements of the index and its optical dispersion open up new opportunities to reveal subtle changes in the electronic structure of water at high pressure.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Direct Laser Writing of Magneto-Photonic Sub-Microstructures for Prospective Applications in Biomedical Engineering

Here, we report on the fabrication of desired magneto-photonic devices by a low one-photon absorption (LOPA) direct laser writing (DLW) technique on a photocurable nanocomposite consisting of magnetite ( Fe 3 O 4 ) nanoparticles and a commercial SU-8 photoresist. The magnetic nanocomposite was synthesized by mixing Fe 3 O 4 nanoparticles with different kinds of SU-8 photoresists. We demonstrated that the degree of dispersion of Fe 3 O 4 nanoparticles in the nanocomposite depended on the concentration of Fe 3 O 4 nanoparticles, the viscosity of SU-8 resist, and the mixing time. By tuning these parameters, the most homogeneous magnetic nanocomposite was obtained with a concentration of about 2 wt % of Fe 3 O 4 nanoparticles in SU-8 2005 photoresist for the mixing time of 20 days. The LOPA-based DLW technique was employed to fabricate on demand various magneto-photonic submicrometer structures, which are similar to those obtained without Fe 3 O 4 nanoparticles. The magneto-photonic 2D and 3D structures with sizes as small as 150 nm were created. Finally, we demonstrated the strong magnetic field responses of the magneto-photonic nanostructures and their use as micro-actuators when immersed in a liquid solution. View Full-Text

36 MATERIALS SCIENCE↗

Extragalactic astronomy: The universe beyond our galaxy

This single-topic brochure is for high school physical science teachers to use in introducing students to extragalactic astronomy. The material is presented in three parts: the fundamental content of extragalactic astronomy; modern discoveries delineated in greater detail; and a summary of the earlier discussions within the structure of the Big-Bang Theory of evolution. Each of the three sections is followed by student exercises (activities, laboratory projects, and questions-and-answers). The unit close with a glossary which explains unfamilar terms used in the text and a collection of teacher aids (literature references and audiovisual materials for utilization in further study).

Jacobs, K. C.↗

Sol-gel Synthesis and Characterization of Gels with Compositions Relevant to Hydrated Glass Alteration Layers

During the processes associated with glass corrosion, porous alteration gel layers typically form upon exposure to aqueous conditions for extended time periods. The impacts of the alteration gel layer on glass durability have not been agreed upon in the glass science community. In particular, the formation mechanisms of the alteration gel layers are still largely unknown and require further investigation. However, alteration gel layers often require months to years to develop and are often too thin to adequately characterize. Meanwhile, silicate sol-gels are relatively easy to synthesize in bulk with custom compositions relevant to alteration gel layers. If glass alteration gel layers and synthetic sol-gel silicate gels demonstrate physical and chemical properties that are sufficiently similar, synthetic silicate gels could be used as analogues for glass alteration gel layers in future studies. In this study, sol-gels were made with custom compositions at various pH values to evaluate the effect of pH on gel structure and morphology. Several other variables were examined as well, such as composition, drying, and aging. Sol-gels were created by sequential additions of organometallic precursors in a single container. Synthesis procedural steps are provided in further detail within the text. Sol-gels were analyzed with several techniques including Small Angle X-ray Scattering (SAXS), gas adsorption, and He pynchometry to determine the effects of the variables on physical properties. Results show that sol-gels prepared at pH 3 consistently contained fewer primary particles with diameters larger than 72 Å and fewer pores with diameters larger than 300 Å compared to sol-gels synthesized at pH 7 and 9. Composition was shown to have no discernable effect on primary particle and pore sizes at any pH.

Reiser, Joelle TG↗

Improving Ligand Geometry in Protein Data Bank Structures Computationally

Information about the three‐dimensional structures of complex biological molecules is an indispensable research tool for many fields of study, including biology, chemistry, pharmacology, and computer science. The Protein Data Bank (PDB) is an public digital archive providing access to structures of nucleic acids, proteins, and large macromolecular machines determined experimentally by X‐ray crystallography, nuclear magnetic resonance (NMR) spectroscopy, and 3‐dimensional electron microscopy (3DEM). PDB structures undergo validation for structural plausibility upon their deposition into the PDB using the program Mogul, which cross references each deposited structure against similar data in the Cambridge Structural Database (CSD). Ligands associated with PDB structures are a common source of structural inaccuracy. In this study, a programmatic pipeline was developed to determine if ligand geometric accuracy could be improved using known computational tools. Ligands with dubious geometry were identified through a Python mining code. A sample set of the identified structures was remodeled into minimum energy conformations using the molecular dynamics program AMBER and then fit to the original experimental density maps using the molecular modeling program Coot. The refined models were compared to the original models in the PDB as well as to similar structures in the CSD using the deposition statistical validation server. Preliminary results suggest that the pipeline effectively identifies and improves ligand structures that possess inaccurate geometry. This method can be used to evaluate and improve the accuracy of specific ligands in structures both archived and pending deposition. Support or Funding Information This work was supported by an NSF REU and the RCSB PDB [NSF (DBI‐1338415), NIH, and DOE.] This abstract is from the Experimental Biology 2019 Meeting. There is no full text article associated with this abstract published in The FASEB Journal .

Miller, Beck↗

The Role of Low-Angle Extensional Tectonics, Flat Fracture Domains, and Gravity Slides in Hydrothermal and EGS Resources of the Western United States

The Steamboat Springs geothermal system provides the most dramatic example of subhorizontal thermal-fluid aquifers in crystalline rock in the Basin and Range, but this is by no means an isolated case. Similar but more diffuse subhorizontal permeability has been reported at Roosevelt Hot Springs and Cove-Fort Sulphurdale, Utah; and a km-scale gravity-slide block channels injectate at Dixie Valley, Nevada. During the course of this phase of the project 2543 reports including text, figures and large format enclosures, 1428 maps, and 698 well logs were scanned. The information is stored in a Microsoft Access Database on the Geothermal Server. Detailed geologic cross sections of the Desert Peak geothermal field were developed to identify the structural controls on the geothermal system and locate possible fluid flow paths. The results of this work were published by Lutz and others (2009, Appendix 1) in the Stanford Reservoir Engineering Conference Proceedings.

02 PETROLEUM↗

Text Stream Trend Analysis using Multiscale Visual Analytics with Applications to Social Media Systems

In this paper, we introduce a new visual analytics system, called Matisse, that allows exploration of global trends in textual information streams with specific application to social media platforms. Despite the potential for real-time situational awareness using these services, interactive analysis of such semi-structured textual information is a challenge due to the high-throughput and high-velocity properties. Matisse addresses these challenges through the following contributions: (1) robust stream data management, (2) automated sen- timent/emotion analytics, (3) inferential temporal, geospatial, and term-frequency visualizations, and (4) a flexible drill-down interaction scheme that progresses from macroscale to microscale views. In addition to describing these contributions, our work-in-progress paper concludes with a practical case study focused on the analysis of Twitter 1% sample stream information captured during the week of the Boston Marathon bombings.

interaction↗

User's manual for the Macintosh version of PASCO

A user's manual for Macintosh PASCO is presented. Macintosh PASCO is an Apple Macintosh version of PASCO, an existing computer code for structural analysis and optimization of longitudinally stiffened composite panels. PASCO combines a rigorous buckling analysis program with a nonlinear mathematical optimization routine to minimize panel mass. Macintosh PASCO accepts the same input as mainframe versions of PASCO. As output, Macintosh PASCO produces a text file and mode shape plots in the form of Apple Macintosh PICT files. Only the user interface for Macintosh is discussed here.

Lucas, S. H.↗

Text-mined dataset of solid-state syntheses with impurity phases using Large Language Model

Solid-state synthesis is widely used to obtain various inorganic materials, such as battery materials and bulk thermoelectrics. Despite its prevalence, the process remains challenging due to the lack of a general theory and well-understood underlying reaction mechanisms. While prior works have successfully extracted structured datasets from literature, they often neglect product phase purity or yield. In this work, we construct a solid-state synthesis dataset consisting of 80,806 syntheses extracted with a large language model (LLM), including 18,869 reactions with impurity phase(s). Our dataset not only validates expected thermodynamic trends for impurity phase formation but also identifies challenging cases where impurity phases emerge even when the target phase is significantly more stable.

Lee, Sanghoon↗

Influence of Comptonization region over the ambiance of accretion disc in active galactic nucleus

ABSTRACT Understanding the radiative and physical structures of inner region of a few 100 pc of active galactic nucleus (AGNs) is important to constrain the causes of their activities. Although the X-ray emission from the Comptonization region/corona and the accretion disc regulates the broad-line emission regions and torus structures, the exact mutual dependency is not understood well. We performed correlation studies for X-ray, mid-infrared, and different components of Balmer emission lines for the selected sample of AGNs. Almost 10 different parameters and their interdependencies were explored in order to understand the underlying astrophysics. We found that the X-ray luminosity has a linear dependency on the various components of broad Balmer emission lines (e.g. L$_{\text{2-10 keV}}\, \propto$ L$^{0.78}_{\text{H}\beta ^{\text{B}}}$) and found a strong dependency on the optical continuum luminosity (L$_{\text{2-10 keV}}\, \propto$ L$^{0.86}_{5100\, \mathring{\rm A}}$). For a selected sample, we also observed a linear dependency between X-ray and mid-infrared luminosity (L$_{\text{2-10 keV}}\, \propto$ L$^{0.74}_{6\, \mu \text{m}}$). A break point was observed in our correlation studies for X-ray power-law index, Γ, and mass of black hole at ∼ log (M/M⊙) = 8.95. Similarly, the relations between Γ and full width at half-maximum (FWHM) of H α and H β broad components show breaks at FWHMH α = 7642 ± 657 km s−1 and FWHMH β = 7336 ± 650 km s−1. However, more data are required to confine the breaks locations exactly. We noted that Γ and Eddington ratios are negatively correlated to Balmer decrements in our selected sample. We analysed and discussed about the implications of new findings in terms of interaction AGN structures.

79 ASTRONOMY AND ASTROPHYSICS↗

ESS-DIVE Reporting Format for File-level Metadata

The ESS-DIVE reporting format for file-level metadata (FLMD) provides granular information at the data file level to describe the contents, scope, and structure of the data file to enable comparison of data files within a data package. The FLMD are fully consistent with and augment the metadata collected at the data package level. We developed the FLMD template based on a review of a small number of existing FLMD in use at other agencies and repositories with valuable input from the Environmental Systems Science (ESS) Community. Also included is a template for a CSV Data Dictionary where users can provide file-level information about the contents of a CSV data file (e.g., define column names, provide units). Files are in .csv, .xlsx, and .md. Templates are in both .csv and .xlsx (open with e.g. Microsoft Excel, LibreOffice, or Google Sheets). Open the .md files by downloading and using a text editor (e.g. Notepad or TextEdit). Though we provide Excel templates for the file-level metadata reporting format, our instructions encourage users to 'Save the FLMD template as a CSV following the CSV Reporting Format guidance'. In addition, we developed the ESS-DIVE File Level Metadata Extractor which is a lightweight python script that can extract some FLMD fields following the recommended FLMD format and structure.

54 ENVIRONMENTAL SCIENCES↗

Comparative analysis of image binarization methods for crack identification in concrete structures

Surface cracks in concrete structures are critical indicators of structural damage and durability. Manual visual inspection, the most commonly used method in practice, is inefficient from cost, time, accuracy, and safety perspectives. A promising alternative is computer vision-based methods that can automatically extract crack information from images. Image binarization, developed for text detection, is appropriate for crack identification, as texts and cracks are similar, consisting of distinguishable lines and curves. However, standardizing crack identification using image binarization is challenging, because binarization depends on the method and associated parameters. We investigate image binarization for crack identification, focusing on optimal parameter determination and comparative performance evaluation for five common binarization methods. Crack images are prepared to obtain optimal parameters by minimizing errors in estimated crack widths. Subsequently, comparative analysis is conducted using crack images with different conditions based on three performance evaluation criteria: crack width and length measurement accuracy and computation time.

36 MATERIALS SCIENCE↗

World Whaling: Historical and Contemporary Studies

Whales are omnipresent in the consciousness of modern society, but their public and scientific perceptions have significantly shifted over the last several hundred years. Today, there is a broad attempt to protect and study whales and their habitats, even while sustainable commercial and Indigenous fisheries continue. For the past several millennia humans have interacted with and exploited whales – but it is the critical period since ca. ~1700 that dominates our public understanding of these animals primarily due to their extreme over-exploitation during this era. Further, the dichotomy between protecting whales versus exploiting whales is real, not always mutually exclusive, and palpably stressful both within society and within this text. That is one reason why this Senri Ethnological Studies volume edited by Nobuhiro Kishigami is such a significant contribution to the whale literature, especially for those interested in the state of modern humanwhale interaction and the historical processes that led to the current structure of whale science, protection, regulation and exploitative fisheries.

60 APPLIED LIFE SCIENCES↗

Secondary-electron imaging of bulk crystalline specimens in an aberration corrected $\text{STEM}$

Atomic-scale electron microscopy traditionally probes thin specimens, with thickness below 100 nm, and its feasibility for bulk samples has not been documented. Here in this study, we explore the practicality of scanning transmission electron microscope (STEM) imaging with secondary electrons (SE), using a silicon-wedge specimen having a maximum thickness of 18 μm. We find that the atomic structure is present in the entire thickness range of the SE images although the background intensity increases moderately with thickness. The consistent intensity of secondary electron (SE) images at atomic positions and the modest increase in intensity in between (background) observed in silicon suggest a limited contribution from SEs generated by backscattered electrons, a conclusion supported by our multislice calculations. We conclude that achieving atomic resolution in SE imaging for bulk specimens is indeed attainable using aberration-corrected STEM and that an aberration-corrected scanning electron microscope (SEM) may have the capacity for atomic-level resolution, holding great promise for future strides in materials research.

25 ENERGY STORAGE↗

MOSAIC-CONUS: A Multimodal, Multi-Temporally Paired Dataset for Earth Sciences

Earth embeddings—vector representations of geographic locations indexed in space and time—are emerging as a unifying interface for geospatial AI. However, their quality depends not only on model design, but on how multimodal Earth observation (EO) data are spatially indexed, temporally aligned, and cross-modally associated during pretraining. We introduce MOSAIC-CONUS (Multimodal Observations with Spatially Aligned Imagery, Urban Points of Interest, In-Situ Measurements and Text Captions), a large-scale EO dataset over the contiguous United States, organized around 250,000 stratified point indices that serve as stable spatial keys across seven modalities: active radar, passive optical imagery, lidar-derived elevation, land cover, functional context, hydrometeorological measurements, and textual summaries. Unlike existing EO datasets, MOSAIC-CONUS introduces four contributions not jointly addressed in prior work: 1. an open-source, large-scale multimodal EO corpus structured around point-indexed data designed to support Earth embedding learning; 2. explicit radar-optical pairing tables spanning twelve temporal alignment regimes, formalizing cross-sensor alignment as a controllable variable for analyzing how temporal mismatch across modalities influences learned embeddings quality; 3. a benchmark suite spanning cross-modal retrieval, annual nightlights regression, and basin-held-out streamflow prediction, positioning MOSAIC-CONUS as a benchmark-ready resource for multimodal AI systems; and 4. a language-based embedding layer through co-registered textual summaries, enabling Earth embeddings to function as a queryable interface for agentic AI systems. The dataset and pairing protocols are publicly released.

54 ENVIRONMENTAL SCIENCES↗

Options of system integrated environment modelling in the predicated dynamic cyberspace

In this article there are briefly mentioned some selected options of contemporary conception of cybernetic system models in the corresponding and possible integratable environment with modern system dynamics thinking and all this in the cyberspace of possible projecting of predicted system characteristics. The key to new capabilities of system integration modelling in the considered cyberspace is mainly the ability to improve the environment and the system integration options, all this with the aim of modern control in the hierarchically arranged dynamic cyberspace, e.g. in the currently desired electronic business with information. The aim of this article is to assess generally the trends in the use of modern modelling methods considering the cybernetics applications verified in practice, modern concept of project management and also the potential integration of artificial intelligence in the new projecting and project management of integratable and intelligent models, e.g. with the optimal structures and adaptable behaviour.The article results from the solution of a specific research partial task at the faculty; especially the moments proving that the new economics will be based more and more on information, knowledge system defined cyberspace of modern management, are stressed in the text.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗