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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 613 records · Page 34

Influence of biphenyl spacer appended to the flexible phosphonate arms in modulating the dimensionality of the coordination polymers: Synthesis, structural chemistry and magnetic properties

Two new compounds [Co (2,2 Prime -bipy) (H{sub 2}dbp)]{sub n} (1) and [Ni (2,2 Prime -bipy){sub 2}(H{sub 2}dbp)(H{sub 2}O)]{center_dot}H{sub 2}O (2) based on the flexible ligand 4,4 Prime -dimethylenebiphenyldiphosphonic acid (H{sub 4}dbp) with 2,2 Prime -bipyridine as secondary ligand have been synthesized under hydrothermal conditions. Both the compounds are well characterized by routine elemental analysis, IR, electronic spectroscopies, thermogravimetric analysis and finally by single crystal X-ray diffraction analysis. Compound 1 is a 1D extended coordination polymer and 2 is a discrete molecular compound. A comparative study between the geometries of H{sub 4}dbp ligand (in compounds 1 and 2, present study) and p-xylylenediphosphonic acid (H{sub 4}pxp) ligand (in previously reported compounds [Cu(2,2 Prime -bipy)(H{sub 2}pxp)]{center_dot}nH{sub 2}O (1A) and Ni(2,2 Prime -bipy){sub 2}H{sub 4}pxp]{sub n}[H{sub 2}pxp]{sub n} (2A), see text) demonstrate the effect of the twisting in the benzene rings in changing higher dimensional H{sub x}pxp (x refers to number of protonated hydroxyl groups) compounds to lower dimensional H{sub x}dbp compounds. The eight membered Co-dimer rings formed in compound 1 represents the simple and isolated Co-dimer, exhibiting weak antiferromagnetic exchange between metal centers through OPO bridges. - Graphical abstract: Two new compounds based on the dimethylenebiphenyldiphosphonic acid have been synthesized. The effect of twisting of benzene rings in the biphenyl spacer containing multidentate ligands alters dimensionality of final compounds. Highlights: Black-Right-Pointing-Pointer Cobalt containing coordination polymer and a nickel discrete compound have been synthesized. Black-Right-Pointing-Pointer Flexible ligand 4,4'-dimethylenebiphenyldiphosphonic acid has been employed. Black-Right-Pointing-Pointer Co(II) and Ni(II) ions are square pyramidal and octahedral respectively. Black-Right-Pointing-Pointer The effect of the twisting in the benzene rings in the associated ligand has been demonstrated.

36 MATERIALS SCIENCE↗

Interactive Visualization of Computational Fluid Dynamics using Mosaic

The Web provides new Methods for accessing Information world-wide, but the current text-and-pictures approach neither utilizes all the Web's possibilities not provides for its limitations. While the inclusion of pictures and animations in a paper communicates more effectively than text alone, It Is essentially an extension of the concept of "publication." Also, as use of the Web increases putting images and animations online will quickly load even the "Information Superhighway." We need to find forms of communication that take advantage of the special nature of the Web. This paper presents one approach: the use of the Internet and the Mosaic interface for data sharing and collaborative analysis. We will describe (and In the presentation, demonstrate) our approach: using FAST (Flow Analysis Software Toolkit), a scientific visualization package, as a data viewer and interactive tool called from MOSAIC. Our intent is to stimulate the development of other tools that utilize the unique nature of electronic communication.

Clucas, Jean↗

ICARTT File Format Enhancements: Supporting FAIRness and Data Discovery of Suborbital Campaign Data

Suborbital campaigns aim to accomplish a wide variety of goals and can include a variety of platforms, instruments, and parameters measured. In 2004, the ICARTT (International Consortium for Atmospheric Research on Transport and Transformation) standards were developed to fulfill data management needs for the ICARTT campaign. The ICARTT file format is text-based and composed of a header with important data description information and the data section. Built on the NASA Ames and GTE data formats, the ICARTT format was created to facilitate data exchange and promote collaborations among the science teams for achieving the ICARTT campaign goals. Due to its success and adaptation for use in many other field campaigns, the ICARTT file format became a NASA standard in 2010 and was amended in January 2017. These changes provided many enhancements, including the requirement for variable standard names. Primarily designed for airborne field studies, ICARTT has been further utilized for ground-based studies. NASA has made a commitment to build an inclusive open science community over the next decade. Open-source science strives to make publicly funded scientific research transparent, inclusive, accessible, and reproducible. The ICARTT format can host metadata that is critical for proper use of the data, particularly for in-situ measurements, and can enhance data discovery and accessibility. However, the required fields are often free text, meaning that the information is human readable, but not machine interpretable. Furthermore, the amount and type of information provided can vary significantly between principal investigators and campaigns. To support FAIR principles and interoperability, enhancements to the ICARTT standards are recommended. Possible recommendations include potential use of controlled and consistent vocabulary for variable standard name and certain common metadata elements; standardizing timestamps for easier data comparisons and analysis; and providing guidance on variable measurement units and how they are reported. Enhancing ICARTT metadata can further streamline the process to make suborbital data more readily available to the data user and improve variable-level metadata. Providing more variable-level metadata can enhance data searching and discovery, supporting NASA’s Open-Source Science Initiative (OSSI).

Megan Buzanowicz↗

An Autonomous MCP Bridge to Rucio: Enhancing Data Management Accessibility for High Energy Physics

The Rucio Data Management System [1] is an important tool used by High Energy Physics experiments, including those at Fermi National Accelerator Laboratory, to store and manage exabyte-scale scientific datasets. Despite its central role in coordinating data across globally distributed storage sites, Rucio's command line interface (CLI) presents a steep learning curve, and makes it difficult for scientists to navigate through. To solve this issue, a containerized Model Context Protocol (MCP) [2] server was built that connects Large Language Models directly to Rucio, allowing AI agents to handle data tasks by using simple, natural language rather than memorized terminal commands. The core engineering focus of this project was moving the server away from slow terminal commands that require text parsing and replacing them with a native Python Client API toolset and a planned REST API framework. Moving to the Python API handles data operations directly in memory, which helps clear up formatting errors, provides the AI with clean, structured JSON data and speeds up tool execution. To prove that the system actually works, a benchmarking pipeline was also built with various questions to test the AI across four different model configurations. The questions included finding data scopes, tracking down specific datasets, and checking replication rules. Through benchmarking, early runs showed that with raw terminal text, the model would get confused and stuck, whereas switching to the Python API to feed the AI clean, structured data yielded massive improvement. By creating an intelligent and autonomous bridge to a storage network, this project shows how AI can be implemented in scientific data management, which ultimately helps scientists at Fermilab spend less time sorting through data and more time focusing on their experiments and analysis.

Akella, Kashyap [William Rainey Harper Coll.]↗

Orbitrap LC-MS Analysis of Nanoparticle Composition at the EPCAPE Mount Soledad site between 04 18 2023 and 06 14 2023

Weekly peak lists containing m/z, intensity, and assigned formula for filter samples, size selected for sub-100 nm particles. Filters were collected daily between 4/18/23 and 6/14/23, grouped based on calendar week for extraction, and analyzed via Thermo Scientific Q Exactive Plus Orbitrap LC-MS. Formulas were assigned to background-corrected peak lists and restricted to CHONS/CHONSNa atoms for the negative and positive modes respectively. Filters were grouped into calendar weeks 0-8 with dates provided in README text file.

54 ENVIRONMENTAL SCIENCES↗

The Materials Data Facility: Data Services to Advance Materials Science Research

With increasingly strict data management requirements from funding agencies and institutions, expanding focus on the challenges of research replicability, and growing data sizes and heterogeneity, new data needs are emerging in the materials community. The materials data facility (MDF) operates two cloudhosted services, data publication and data discovery, with features to promote open data sharing, self-service data publication and curation, and encourage data reuse, layered with powerful data discovery tools. The data publication service simplifies the process of copying data to a secure storage location, assigning data a citable persistent identifier, and recording custom (e.g., material, technique, or instrument specific)and automatically-extractedmetadata in a registrywhile the data discovery service will provide advanced search capabilities (e.g., faceting, free text range querying, and full text search) against the registered data and metadata. TheMDF services empower individual researchers, research projects, and institutions to (I) publish research datasets, regardless of size, from local storage, institutional data stores, or cloud storage, without involvement of thirdparty publishers; (II) build, share, and enforce extensible domain-specific custom metadata schemas; (III) interact with published data and metadata via representational state transfer (REST) application program interfaces (APIs) to facilitate automation, analysis, and feedback; and (IV) access a data discovery model that allows researchers to search, interrogate, and eventually build on existing published data. We describe MDF’s design, current status, and future plans.

data management↗

Theory of mean E × B shear in a stochastic magnetic field: ambipolarity breaking and radial current

The mean E $ \times $ B shear in a stochastic magnetic field is calculated, using the radial force balance relation and transport equations. This analysis is relevant to the L → H transition with resonant magnetic perturbations, and special focus is placed upon the physics of non-ambipolar transport and radial current. The key physical process is the flow of fluctuating currents along wandering magnetic fields. The increments in poloidal and toroidal rotation, density and ion pressure are calculated. The radial envelope of the magnetic perturbations inside the plasma defines a new scale ${\ell _{{\text{env}}}}$, which is the characteristic scale of the magnetic fluctuation intensity profile. Here, the net particle outflow due to stochastic magnetic fields is calculated and is determined by the net radial current through the separatrix. Implications for the L → H transition are discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

The completed SDSS-IV extended Baryon Oscillation Spectroscopic Survey: measurement of the growth rate of structure from the small-scale clustering of the luminous red galaxy sample

ABSTRACT We measure the small-scale clustering of the Data Release 16 extended Baryon Oscillation Spectroscopic Survey Luminous Red Galaxy sample, corrected for fibre-collisions using Pairwise Inverse Probability weights, which give unbiased clustering measurements on all scales. We fit to the monopole and quadrupole moments and to the projected correlation function over the separation range $7-60\, h^{-1}{\rm Mpc}$ with a model based on the aemulus cosmological emulator to measure the growth rate of cosmic structure, parametrized by fσ8. We obtain a measurement of fσ8(z = 0.737) = 0.408 ± 0.038, which is 1.4σ lower than the value expected from 2018 Planck data for a flat ΛCDM model, and is more consistent with recent weak-lensing measurements. The level of precision achieved is 1.7 times better than more standard measurements made using only the large-scale modes of the same sample. We also fit to the data using the full range of scales $0.1\text{--}60\, h^{-1}{\rm Mpc}$ modelled by the aemulus cosmological emulator and find a 4.5σ tension in the amplitude of the halo velocity field with the Planck + ΛCDM model, driven by a mismatch on the non-linear scales. This may not be cosmological in origin, and could be due to a breakdown in the Halo Occupation Distribution model used in the emulator. Finally, we perform a robust analysis of possible sources of systematics, including the effects of redshift uncertainty and incompleteness due to target selection that were not included in previous analyses fitting to clustering measurements on small scales.

79 ASTRONOMY AND ASTROPHYSICS↗

Telemetry Monitoring and Display Using LabVIEW

The Measurement Technology Center of the Instrumentation Section configures automated data acquisition systems to meet the diverse needs of JPL's experimental research community. These systems are based on personal computers or workstations (Apple, IBM/Compatible, Hewlett-Packard, and Sun Microsystems) and often include integrated data analysis, visualization and experiment control functions in addition to data acquisition capabilities. These integrated systems may include sensors, signal conditioning, data acquisition interface cards, software, and a user interface. Graphical programming is used to simplify configuration of such systems. Employment of a graphical programming language is the most important factor in enabling the implementation of data acquisition, analysis, display and visualization systems at low cost. Other important factors are the use of commercial software packages and off-the-shelf data acquisition hardware where possible. Understanding the experimenter's needs is also critical. An interactive approach to user interface construction and training of operators is also important. One application was created as a result of a competative effort between a graphical programming language team and a text-based C language programming team to verify the advantages of using a graphical programming language approach. With approximately eight weeks of funding over a period of three months, the text-based programming team accomplished about 10% of the basic requirements, while the Macintosh/LabVIEW team accomplished about 150%, having gone beyond the original requirements to simulate a telemetry stream and provide utility programs. This application verified that using graphical programming can significantly reduce software development time. As a result of this initial effort, additional follow-on work was awarded to the graphical programming team.

graphical user interface LabVIEW graphical program↗

Port-O-Sim Object Simulation Application

Port-O-Sim is a software application that supports engineering modeling and simulation of launch-range systems and subsystems, as well as the vehicles that operate on them. It is flexible, distributed, object-oriented, and realtime. A scripting language is used to configure an array of simulation objects and link them together. The script is contained in a text file, but executed and controlled using a graphical user interface. A set of modules is defined, each with input variables, output variables, and settings. These engineering models can be either linked to each other or run as standalone. The settings can be modified during execution. Since 2001, this application has been used for pre-mission failure mode training for many Range Safety Scenarios. It contains range asset link analysis, develops look-angle data, supports sky-screen site selection, drives GPS (Global Positioning System) and IMU (Inertial Measurement Unit) simulators, and can support conceptual design efforts for multiple flight programs with its capacity for rapid six-degrees-of-freedom model development. Due to the assembly of various object types into one application, the application is applicable across a wide variety of launch range problem domains.

Lanzi, Raymond J.↗

Full-scale testing of an Ogee tip rotor

Full scale tests were utilized to investigate the effect of the ogee tip on helicopter rotor acoustics, performance, and loads. Two facilities were used: the Langley whirl tower and a UH-1H helicopter. The text matrix for hover on the whirl tower involved thrust values from 0 to 44 480 N (10,000 lb) at several tip Mach numbers for both standard and Ogee rotors. The full scale testing on the UH-1H encompassed the major portion of the flight envelope for that aircraft. Both near field acoustic measurements and far field flyover data were obtained for both the ogee and standard rotors. Data analysis of the whirl tower test shows that the ogee tip does significantly diffuse the tip vortex while providing some improvement in hover performance at low and moderate thrust coefficients. Flight testing of both rotors indicates that the strong impulsive noise signature of the standard rotor can be reduced with the ogee rotor. Analysis of the spectra indicates a reduction in energy in the 250 Hz and 1000 Hz range for the ogee rotor. Forward flight performance was significantly improved with the ogee configuration for a large number of flight conditions. Further, rotor control loads were reduced through use of this advanced tip rotor.

Mantay, W. R.↗

CAMFeND: Credibility-Aware Multimodal Fake News Detection with Rotational Attention

In the evolving digital landscape, fake news is a significant challenge, influencing public perception and decision-making. Traditional detection approaches focus on single-modal data or simple multimodal fusion, often overlooking deeper interactions and news credibility. We propose a novel model addressing these limitations by introducing rotational attention and news domain information as a feature. Unlike static attention mechanisms, our rotational attention dynamically shifts query, key, and value roles across text and image inputs, enabling richer cross-modal interaction. Incorporating news domain information further enhances the model’s reliability by associating news posts with top domains extracted from Google search results, reducing false detections. This approach assesses both the content and the broader web context in which the news is discussed. Our model outperforms existing state-of-the-art methods by providing deeper, layered multimodal integration and domain information analysis, resulting in a more robust and adaptive fake news detection system.

Gupta, Nidhi↗

Modeled estimates of permafrost hydrology and related fields for pan-Arctic region over the period 1980-2100

This dataset contains gridded estimates of total runoff (mm/day); subsurface runoff (mm/day); snow water equivalent (SWE, mm/day); vertical upward water flux of combined surface evaporation, evapotranspiration, and snow sublimation (mm/day); and soil temperature (C) across the pan-Arctic basin from simulations of the Permafrost Water Balance Model (PWBM v4). These data were generated to allow researchers to advance understanding of the changes unfolding in the Arctic's terrestrial water cycle under the influences of climate warming, hydrological cycle intensification, and permafrost thaw. The dataset will enable researchers to address important questions spanning multiple disciplines. For example, how will rising river flows exported to the coast impact critical zone ecosystems, near-shore ice dynamics, and ocean biogeochemical processes. Spatial resolution is 25x25 km with N=39926 grid cells spanning the domain. Three forcing datasets were used to drive simulations at an implicit daily time step over the period 1980-2100. Daily air temperature, precipitation, and wind speed data from the WATCH Forcing Data methodology applied to ERA5 reanalysis (W5E5) were used for meteorological forcings over the period 1980-2019. Simulations for the period 1980-2100 used meteorological data from two global climate models; IPSL-CM6A-LR and MPI-ESM1-2-HR. The PWBM hydrological outputs are organized by grid and month in gzipped ASCII text files within each archived tar file. Soil temperature is organized by grid cell and day of year from DOY 205 to DOY 260. No special software is required to work with these data. The package contains spatial domain and river basin information files. These data are most useful for analyses of the spatial and temporal variations in terrestrial hydrology and soil thermal dynamics. A manuscript describing the model simulations and associated analysis has been accepted for publication in The Cryosphere (Rawlins and Karmalkar, 2024).

54 ENVIRONMENTAL SCIENCES↗

Sensitivity studies associated with dosimetry experiment interpretation

Document available in abstract form only, full text of document follows: Interpretation of reactor dosimetry experiments with C/E comparison requires precise knowledge of parameters involved in modeling. Some parameters have more weight than others on the calculated values. So, sensitivity studies should be conducted to verify the importance of these parameters. The conclusions of these studies are used to refine the experiment modeling, or to correct uncertainty calculations. The results of these sensitivity studies allow a post-irradiation analysis, which can justify the discarding of some atypical C/M values. Derived uncertainties may be improved by the sensitivity analyses. Beyond classical parameters as geometry or composition, this paper describes some specific sensitivity studies conducted for dosimetry irradiation in reactor, and presents conclusions. These studies are based on dosimeters irradiated in the EOLE reactor facility at Cadarache CEA center. Conclusions drawn from these studies are generic and can be applied to any dosimetry study. Calculations performed for these studies were realized using TRIPOLI-4 Monte Carlo code. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Decoherence in neutrino propagation through matter, and bounds from IceCube/DeepCore

Here, we revisit neutrino oscillations in matter considering the open quantum system framework, which allows to introduce possible decoherence effects generated by New Physics in a phenomenological manner. We assume that the decoherence parameters $\gamma _{ij}$ may depend on the neutrino energy, as $\gamma _{ij}=\gamma _{ij}^{0}(E/\text {GeV})^n\ (n = 0,\pm 1,\pm 2) $ . The case of non-uniform matter is studied in detail and, in particular, we develop a consistent formalism to study the non-adiabatic case dividing the matter profile into an arbitrary number of layers of constant densities. This formalism is then applied to explore the sensitivity of IceCube and DeepCore to this type of effects. Our study is the first atmospheric neutrino analysis where a consistent treatment of the matter effects in the three-neutrino case is performed in presence of decoherence. We show that matter effects are indeed extremely relevant in this context. We find that IceCube is able to considerably improve over current bounds in the solar sector ( $\gamma _{21}$ ) and in the atmospheric sector ( $\gamma _{31}$ and $\gamma _{32}$ ) for $n=0,1,2$ and, in particular, by several orders of magnitude (between 3 and 9) for the $n=1,2$ cases. For $n=0$ we find $\gamma _{32},\gamma _{31}< 4.0\times 10^{-24}\, (1.3\times 10^{-24})\ \hbox {GeV}$ and $\gamma _{21}<1.3\times 10^{-24}\, (4.1\times 10^{-24})\ \hbox {GeV}$ at the 95% CL, for normal (inverted) mass ordering.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Assurance of Reasoning Enabled Systems (ARES)

ARES was in part motivated by the determination of President’s Council of Advisors on Science and Technology (PCAST) on May 13th, 2023 that published a set of inquiries: In an era in which convincing images, audio, and text can be generated with ease on a massive scale, how can we ensure reliable access to verifiable, trustworthy information? How can we be certain that a particular piece of media is genuinely from the claimed source? What technologies, policies, and infrastructure can be developed to detect and counter AI-generated disinformation? In an effort to automatically analyze and patch/optimize code the work in this report describes various neural Machine Learning (ML) analysis engine implementations to assist in situations where source code is deficient or completely lacking to decompile (lift) binary code to ’C’. The goal is to gradually reduce human intervention. To this end, two Large Language Model (LLM) variants (Code LLama 2, LLama 3.1 and Starcoder1, Starcoder 2) where finetuned with ’before/after’ code pairs on the OpenBLAS library. LLama trained on the lowering process, Starcoder trained on the lifting process with National Security Agency’s (NSA) open-source Ghidra decompiler assist. The inferencing test results indicate correctness for only very short sequences for Starcoder 2. Moving forward, the experiments conclude with a set of recommendations of required resources and technologies

97 MATHEMATICS AND COMPUTING↗

NUM-DAT File Format Specification: Used in M-9 Gun Experiment Data Archiving

The M-9 Shock and Detonation Physics group executes experiments on gun and explosive platforms with large numbers of oscilloscopes used for data acquisition. The data acquisition from these oscilloscopes was automated many years ago using a custom piece of software called RunDig . The default save format from this software is a custom structure referred to as "NUM-DAT" format. This file format includes a text ".DAT" file which is a header file used to interpret the binary ".NUM" file which contains the oscilloscope data. The data save format was originally developed by John Vorthman and has been in use by M-9 personnel for over 20 years. This data format has been used for archiving data from experiments performed by M-9 personnel at TA-40, TA-39, and the TA-55 Impact Test Facility. Numerous custom analysis and visualization programs have also been developed, and continue to be used, that utilize this data format. This document describes the NUM-DAT format and provides code examples for reading the format and converting it to other formats.

47 OTHER INSTRUMENTATION↗

Citing a Data Repository: A Case Study of the Protein Data Bank

The Protein Data Bank (PDB) is the worldwide repository of 3D structures of proteins, nucleic acids and complex assemblies. The PDB’s large corpus of data (> 100,000 structures) and related citations provide a well-organized and extensive test set for developing and understanding data citation and access metrics. In this paper, we present a systematic investigation of how authors cite PDB as a data repository. We describe a novel metric based on information cascade constructed by exploring the citation network to measure influence between competing works and apply that to analyze different data citation practices to PDB. Based on this new metric, we found that the original publication of RCSB PDB in the year 2000 continues to attract most citations though many follow-up updates were published. None of these follow-up publications by members of the wwPDB organization can compete with the original publication in terms of citations and influence. Meanwhile, authors increasingly choose to use URLs of PDB in the text instead of citing PDB papers, leading to disruption of the growth of the literature citations. A comparison of data usage statistics and paper citations shows that PDB Web access is highly correlated with URL mentions in the text. The results reveal the trend of how authors cite a biomedical data repository and may provide useful insight of how to measure the impact of a data repository.

59 BASIC BIOLOGICAL SCIENCES↗