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At least 1,081 records · Page 60
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Developing Lanthanide-Nitrate Cluster Chemistry toward Rare Earth Separations

Nitrate-decorated hexamers with a [Ln 6 (μ 6 -O)(μ 3 –OH) 8 ] 8+ core have been reported for nearly every lanthanide ion and are used as precursors for the assembly of functional metal–organic frameworks. Yet, few studies have examined the correlation between the solution and solid-state species, and the formation of mixed-metal clusters. Toward this end, a series of homo- and heterometal lanthanide nitrate hexamers was prepared via pH adjustment of aqueous lanthanide nitrate solutions. Examination of the homometallic europium solutions using Small Angle X-ray Scattering and nESI-MS showed that lower order complexes dominate lanthanide speciation in nitrate media. Yet, powder X-ray diffraction data of the precipitated phase confirmed the formation of [Ln 6 (μ 6 -O)(μ 3 -OH) 8 (NO 3 ) 6 (H 2 O) 12 ]·2(NO 3 )·n(H 2 O), Ln 6 , for Ln = Eu and Tb. For heterometal systems, analysis of the solid-state product by ICP–MS showed the selective incorporation of the heavier rare earths into Ln 6 . Selectivity was quantified by calculating an average separation factor, which is defined as the ratio of recovery factors of both metals. Further examination of the luminescence behavior of mixed metal [Tb 6–x Eu x (μ 6 -O)(μ 3 -OH) 8 (NO 3 ) 6 (H 2 O) 12 ]·2(NO 3 )·n(H 2 O), with x = 1.1–3.6, showed that the relative intensities of the peaks at 489 nm (terbium, 5 D 4 → 7 F 6 ) and 690 nm (europium, 5 D 0 → 7 F 4 ) trend with the percent incorporation of europium and terbium into the cluster.

anions↗
DOE OSTI2025

AI-powered topic modeling: comparing LDA and BERTopic in analyzing opioid-related cardiovascular risks in women

Topic modeling is a crucial technique in natural language processing (NLP), enabling the extraction of latent themes from large text corpora. Traditional topic modeling, such as Latent Dirichlet Allocation (LDA), faces limitations in capturing the semantic relationships in the text document although it has been widely applied in text mining. BERTopic, created in 2022, leveraged advances in deep learning and can capture the contextual relationships between words. In this work, we integrated Artificial Intelligence (AI) modules to LDA and BERTopic and provided a comprehensive comparison on the analysis of prescription opioid-related cardiovascular risks in women. Opioid use can increase the risk of cardiovascular problems in women such as arrhythmia, hypotension etc. 1,837 abstracts were retrieved and downloaded from PubMed as of April 2024 using three Medical Subject Headings (MeSH) words: “opioid,” “cardiovascular,” and “women.” Machine Learning of Language Toolkit (MALLET) was employed for the implementation of LDA. BioBERT was used for document embedding in BERTopic. Eighteen was selected as the optimal topic number for MALLET and 23 for BERTopic. ChatGPT-4-Turbo was integrated to interpret and compare the results. The short descriptions created by ChatGPT for each topic from LDA and BERTopic were highly correlated, and the performance accuracies of LDA and BERTopic were similar as determined by expert manual reviews of the abstracts grouped by their predominant topics. The results of the t-SNE (t-distributed Stochastic Neighbor Embedding) plots showed that the clusters created from BERTopic were more compact and well-separated, representing improved coherence and distinctiveness between the topics. Our findings indicated that AI algorithms could augment both traditional and contemporary topic modeling techniques. In addition, BERTopic has the connection port for ChatGPT-4-Turbo or other large language models in its algorithm for automatic interpretation, while with LDA interpretation must be manually, and needs special procedures for data pre-processing and stop words exclusion. Therefore, while LDA remains valuable for large-scale text analysis with resource constraints, AI-assisted BERTopic offers significant advantages in providing the enhanced interpretability and the improved semantic coherence for extracting valuable insights from textual data.

Research & Experimental Medicine↗
NASA NTRS2019

Use of Very High-Resolution Optical Data for Landslide Mapping and Susceptibility Analysis Along the Karnali Highway, Nepal

The Karnali highway is a vital transport link and the only primary roadway that connects the remote Karnali region to the lowlands in Mid-Western Nepal. Every year there are reports of landslides blocking the road, making this area largely inaccessible. However, little effort has focused on systematically identifying landslides and landslide-prone areas along this highway. In this study, landslides were mapped with an object-based approach from very high-resolution optical satellite imagery obtained by the DigitalGlobe constellation in 2012 and PlanetScope in 2018. Landslides ranging from 10 to 30,496 sq.m were detected within a 3 km buffer along the highway. Most of the landslides were located at lower elevations (between 500–1500 m) and on steep south-facing slopes. Landslides tended to cluster closer to the highway, near drainage channels and away from faults. Landslides were also most prevalent within the Kuncha Formation geologic class, and the forested and agricultural land cover classes. A susceptibility map was then created using a logistic regression methodology to highlight patterns in landslide activity. The landslide susceptibility map showed a good prediction rate with an area under the curve (AUC) of 0.90. A total of 33% of the study arealies in high/very high susceptibility zones. The map highlighted the lower elevated areas between Bangesimal and Manma towns with the Kuncha Formation geologic class as being the most hazardous. The banks of the Karnali River, its tributaries and areas near the highway were also highly susceptible to landslides. The results highlight the potential of very high-resolution optical imagery for documenting detailed spatial information on landslide occurrence, which enables susceptibility assessment in remote and data scarce regions such as the Karnali highway.

Pukar Amatya↗
DOE OSTI2021

Time-Resolved Grazing Incidence X-Ray Absorption Spectroscopy for the In Situ Investigation of the Initial Stages of Sputter-Deposited Copper Thin Films

The sputter deposition and the growth of thin copper films on float glass substrates are in situ studied using grazing incidence, reflection mode X-ray absorption fine structure spectroscopy with subsecond time resolution. The experimental data are compared with model calculations, assuming the presence of crystalline, face-centered cubic metallic Cu nanostructures. From a detailed analysis of the measured spectra, the film thickness as well as the surface roughness is determined, leading to a detailed understanding of the films growth as a function of the sputter deposition time. In particular, different stages of film growth can clearly be distinguished from the fits of the experimental data. The results suggest the formation of isolated, approximately nm-sized copper clusters in the initial phase of the film deposition for the first few seconds, a coalescence phase with a nominal thickness of ≈1.5–2.8 nm, constant roughness of about 1.4 nm for the subsequent ≈5 s, and finally 3D growth of the Cu crystallites in the film for later stages of film growth. Further prospects of the methodology are given.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Learning physics at future $e^–e^+$ colliders with machine

Information deformation and loss in jet clustering are one of the major limitations for precisely measuring hadronic events at future $e^–e^+$ colliders. Because of their dominance in data, the measurements of such events are crucial for advancing the precision frontier of Higgs and electroweak physics in the next decades. We show that this difficulty can be well-addressed by synergizing the event-level information into the data analysis, with the techniques of deep neutral network. In relation to this, we introduce a CMB-like observable scheme, where the event-level kinematics is encoded as Fox-Wolfram (FW) moments at leading order and multi-spectra of spherical harmonics at higher orders. Then we develop a series of jet-level (w/ and w/o the FW moments) and event-level classifiers, and analyze their sensitivity performance comparatively with two-jet and four-jet events. As an application, we analyze measuring Higgs decay width at $e^–e^+$ colliders with the data of 5ab –1 @240GeV. The precision obtained is significantly better than the baseline ones presented in documents. We expect this strategy to be applied to many other hadronic- event measurements at future $e^–e^+$ colliders, and to open a new angle for evaluating their physics capability.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Modeling Short-Range Order in Disordered Rocksalt Cathodes by Pair Distribution Function Analysis

Pair distribution function (PDF) analysis is a powerful technique for the characterization of short-range order (SRO) in disordered materials. Accurate interpretation of experimental PDF data is critically reliant on the development of structural models that can account for local variations in site occupancies and bond lengths. To this end, we outline an approach to model SRO using first-principles calculations based on the cluster-expansion formalism. These methods are validated on neutron scattering data from two disordered rocksalt oxyfluorides, Li 1.3 Mn 0.4 Ti 0.3 O 1.7 F 0.3 and Li 1.3 Mn 0.4 Nb 0.2 Ti 0.1 O 1.7 F 0.3 . For each composition, we demonstrate that an average structure without any SRO fails to reproduce several key features in the experimental PDF. To pinpoint the origin of the suspected SRO in these materials, configurational and displacive effects were separately investigated using two disparate models. Special quasi-random structures were relaxed using density functional theory to account for local changes in bond lengths while maintaining a near-random ionic configuration. This leads to slightly improved accuracy but still misrepresents asymmetry in the first few peaks of the PDF. Monte Carlo simulations were performed to model configurational SRO on a fixed lattice, which by itself is shown to have a minimal influence on the PDF. Instead, we find that it is the bond length relaxations within environments created by SRO which controls the details of the PDF, thereby highlighting the subtle but important coupling between configurational and displacive SRO in disordered materials.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Strategies for community-sourced biocuration in bioinformatics: a case study on MIBiG 4.0

Biocuration is essential to transform molecular sequence data into standardized, machine-readable resources. Such curated datasets enable comparative analysis, predictive modeling, and data integration across bioinformatics platforms. While professional biocuration is resource-intensive and usually limited to institutional settings, community-driven approaches can mobilize large-scale annotation of specialized datasets and are more resilient to disruptions in scientific funding. Here, we present a model for community-powered curation applied to the Minimum Information about a Biosynthetic Gene Cluster (MIBiG) repository. Through a framework of workflows for metadata capture, annotation validation, and contributor coordination, the MIBiG 4.0 initiative recruited 267 scientists across 178 institutions from 33 countries, volunteering an estimated 4000 h of work. These efforts expanded the MIBiG repository by 22% and enhanced its usability in downstream molecular data analyses in comparative genomic analyses, natural product discovery, and machine learning applications. We provide strategies and actionable lessons for adopting this model, supporting the sustainability of curated bioinformatics resources central to nucleic acid research and related fields.

biocuration↗
DOE OSTI2020

SPIDERS: overview of the X-ray galaxy cluster follow-up and the final spectroscopic data release

ABSTRACT SPIDERS (The SPectroscopic IDentification of eROSITA Sources) is a large spectroscopic programme for X-ray selected galaxy clusters as part of the Sloan Digital Sky Survey-IV (SDSS-IV). We describe the final data set in the context of SDSS Data Release 16 (DR16): the survey overall characteristics, final targeting strategies, achieved completeness, and spectral quality, with special emphasis on its use as a galaxy cluster sample for cosmology applications. SPIDERS now consists of about 27 000 new optical spectra of galaxies selected within 4000 photometric red sequences, each associated with an X-ray source. The excellent spectrograph efficiency and a robust analysis pipeline yield a spectroscopic redshift measurement success rate exceeding 98 per cent, with a median velocity accuracy of 20 km s−1 (at z = 0.2). Using the catalogue of 2740 X-ray galaxy clusters confirmed with DR16 spectroscopy, we reveal the 3D map of the galaxy cluster distribution in the observable Universe up to z ∼ 0.6. We highlight the homogeneity of the member galaxy spectra among distinct regions of the galaxy cluster phase space. Aided by accurate spectroscopic redshifts and by a model of the sample selection effects, we compute the galaxy cluster X-ray luminosity function and we present its lack of evolution up to z = 0.6. Finally we discuss the prospects of forthcoming large multiplexed spectroscopic programmes dedicated to follow up the next generation of all-sky X-ray source catalogues.

Clerc, N.↗
NASA NTRS1972

Space shuttle booster multi-engine base flow analysis

A comprehensive review of currently available techniques pertinent to several prominent aspects of the base thermal problem of the space shuttle booster is given along with a brief review of experimental results. A tractable engineering analysis, capable of predicting the power-on base pressure, base heating, and other base thermal environmental conditions, such as base gas temperature, is presented and used for an analysis of various space shuttle booster configurations. The analysis consists of a rational combination of theoretical treatments of the prominent flow interaction phenomena in the base region. These theories consider jet mixing, plume flow, axisymmetric flow effects, base injection, recirculating flow dynamics, and various modes of heat transfer. Such effects as initial boundary layer expansion at the nozzle lip, reattachment, recompression, choked vent flow, and nonisoenergetic mixing processes are included in the analysis. A unified method was developed and programmed to numerically obtain compatible solutions for the various flow field components in both flight and ground test conditions. Preliminary prediction for a 12-engine space shuttle booster base thermal environment was obtained for a typical trajectory history. Theoretical predictions were also obtained for some clustered-engine experimental conditions. Results indicate good agreement between the data and theoretical predicitons.

Tang, H. H.↗
NASA NTRS2006

A Bioinformatics Facility for NASA

Building on an existing prototype, we have fielded a facility with bioinformatics technologies that will help NASA meet its unique requirements for biological research. This facility consists of a cluster of computers capable of performing computationally intensive tasks, software tools, databases and knowledge management systems. Novel computational technologies for analyzing and integrating new biological data and already existing knowledge have been developed. With continued development and support, the facility will fulfill strategic NASA s bioinformatics needs in astrobiology and space exploration. . As a demonstration of these capabilities, we will present a detailed analysis of how spaceflight factors impact gene expression in the liver and kidney for mice flown aboard shuttle flight STS-108. We have found that many genes involved in signal transduction, cell cycle, and development respond to changes in microgravity, but that most metabolic pathways appear unchanged.

Schweighofer, Karl↗
NASA NTRS2014

Global Inventory and Characterization of Pyroclastic Deposits on Mercury: New Insights into Pyroclastic Activity from MESSENGER Orbital Data

We present new observations of pyroclastic deposits on the surface of Mercury from data acquired during the orbital phase of the MErcury Surface, Space ENvironment, GEochemistry, and Ranging (MESSENGER) mission. The global analysis of pyroclastic deposits brings the total number of such identified features from 40 to 51. Some 90% of pyroclastic deposits are found within impact craters. The locations of most pyroclastic deposits appear to be unrelated to regional smooth plains deposits, except some deposits cluster around the margins of smooth plains, similar to the relation between many lunar pyroclastic deposits and lunar maria. A survey of the degradation state of the impact craters that host pyroclastic deposits suggests that pyroclastic activity occurred on Mercury over a prolonged interval. Measurements of surface reflectance by MESSENGER indicate that the pyroclastic deposits are spectrally distinct from their surrounding terrain, with higher reflectance values, redder (i.e., steeper) spectral slopes, and a downturn at wavelengths shorter than approximately 400nm (i.e., in the near-ultraviolet region of the spectrum). Three possible causes for these distinctive characteristics include differences in transition metal content, physical properties (e.g., grain size), or degree of space weathering from average surface material on Mercury. The strength of the near-ultraviolet downturn varies among spectra of pyroclastic deposits and is correlated with reflectance at visible wavelengths. We suggest that this interdeposit variability in reflectance spectra is the result of either variable amounts of mixing of the pyroclastic deposits with underlying material or inherent differences in chemical and physical properties among pyroclastic deposits.

Stratigraphic relationships↗
NASA NTRSDate not supplied

TPSAS-NF1676L-32060-DND

All previous PSP testing done in the Unitary Plan Wind Tunnel (UPWT) have required a significant amount of manual operation of the system. This has resulted in decreased testing efficiency and precluded the ability to provide near real-time data analysis to the customer. The overall goal of this project is to integrate the PSP data acquisition system into the supersonic UPWT data acquisition system (DAS) and create an adaptive software platform from which PSP data acquisition can be triggered by the tunnel and critical testing conditions can be recorded in real time for rapid analysis of the PSP data. This analysis includes the mapping of up to eight camera views onto a surface grid for analysis and converting to pressure using parameters supplied by the DAS. To fully implement this solution, communication must first be established between the Unitary DAS and the PSP DAS. This will be done by employing multiple scripts written in Python and C++ and implemented on a Linux cluster. These will be demonstrated and refined on an upcoming test (December 2018), and the successful completion will result in the ability to have automatic collection of PSP images and near real-time analysis capabilities.

Juliette Eddins↗
NASA NTRS1991

Analysis of regional deformation and strain accumulation data adjacent to the San Andreas fault

A new approach to the understanding of crustal deformation was developed under this grant. This approach combined aspects of fractals, chaos, and self-organized criticality to provide a comprehensive theory for deformation on distributed faults. It is hypothesized that crustal deformation is an example of comminution: Deformation takes place on a fractal distribution of faults resulting in a fractal distribution of seismicity. Our primary effort under this grant was devoted to developing an understanding of distributed deformation in the continental crust. An initial effort was carried out on the fractal clustering of earthquakes in time. It was shown that earthquakes do not obey random Poisson statistics, but can be approximated in many cases by coupled, scale-invariant fractal statistics. We applied our approach to the statistics of earthquakes in the New Hebrides region of the southwest Pacific because of the very high level of seismicity there. This work was written up and published in the Bulletin of the Seismological Society of America. This approach was also applied to the statistics of the seismicity on the San Andreas fault system.

Turcotte, Donald L.↗
NASA NTRSDate not supplied

Vibration Anomaly Detection by Clustering in Unmanned Aerial Vehicles.

One of the critical factors affecting flight safety of unmanned aerial vehicles (UAVs) is the amount of vibration they are exposed to during a flight. On one hand, external causes such as wind gusts and turbulences or internal vehicle-centric faults such as incorrect sensor mounting or propeller imbalances can cause high vibrations in UAVs. On the other hand, high vibration itself may induce noise in the onboard miniature sensors of the UAV such as its accelerometers, gyroscopes and GPS that can lead to uncertain state estimation causing the multi-rotor to drift from its desired position or even result in loss-of-control. Hence, it is important to monitor the vibration levels during a UAV flight. This paper specifically looks into vibrations recorded by the autopilot system of a multi-rotor in presence of varying magnitudes of wind. Using data from experimental flights conducted at two separate flight test regions under varying wind conditions, we aim to classify between a nominal and anomalous vibration level for small UAV systems. Further, we analyse other parameters of interest that affect vibrations in UAVs such as UAV air speed and any propeller imbalance signatures. Analysis results from experimental flights demonstrate the effect of wind on vibration magnitude in unmanned aircrafts.

unmanned aviation↗
DOE OSTI2022

Nanoscale defect evaluation framework combining real-time transmission electron microscopy and integrated machine learning-particle filter estimation

Observation of dynamic processes by transmission electron microscopy (TEM) is an attractive technique to experimentally analyze materials’ nanoscale phenomena and understand the microstructure-properties relationships in nanoscale. Even if spatial and temporal resolutions of real-time TEM increase significantly, it is still difficult to say that the researchers quantitatively evaluate the dynamic behavior of defects. Images in TEM video are a two-dimensional projection of three-dimensional space phenomena, thus missing information must be existed that makes image’s uniquely accurate interpretation challenging. Therefore, even though they are still a clustering high-dimensional data and can be compressed to two-dimensional, conventional statistical methods for analyzing images may not be powerful enough to track nanoscale behavior by removing various artifacts associated with experiment; and automated and unbiased processing tools for such big-data are becoming mission-critical to discover knowledge about unforeseen behavior. We have developed a method to quantitative image analysis framework to resolve these problems, in which machine learning and particle filter estimation are uniquely combined. The quantitative and automated measurement of the dislocation velocity in an Fe-31Mn-3Al-3Si autunitic steel subjected to the tensile deformation was performed to validate the framework, and an intermittent motion of the dislocations was quantitatively analyzed. The framework is successfully classifying, identifying and tracking nanoscale objects; these are not able to be accurately implemented by the conventional mean-path based analysis.

36 MATERIALS SCIENCE↗
DOE OSTI2024

The integration of heterogeneous resources in the CMS Submission Infrastructure for the LHC Run 3 and beyond

While the computing landscape supporting LHC experiments is currently dominated by x86 processors at WLCG sites, this configuration will evolve in the coming years. LHC collaborations will be increasingly employing HPC and Cloud facilities to process the vast amounts of data expected during the LHC Run 3 and the future HL-LHC phase. These facilities often feature diverse compute resources, including alternative CPU architectures like ARM and IBM Power, as well as a variety of GPU specifications. Using these heterogeneous resources efficiently is thus essential for the LHC collaborations reaching their future scientific goals. The Submission Infrastructure (SI) is a central element in CMS Computing, enabling resource acquisition and exploitation by CMS data processing, simulation and analysis tasks. The SI must therefore be adapted to ensure access and optimal utilization of this heterogeneous compute capacity. Some steps in this evolution have been already taken, as CMS is currently using opportunistically a small pool of GPU slots provided mainly at the CMS WLCG sites. Additionally, Power9 processors have been validated for CMS production at the Marconi-100 cluster at CINECA. This note will describe the updated capabilities of the SI to continue ensuring the efficient allocation and use of computing resources by CMS, despite their increasing diversity. The next steps towards a full integration and support of heterogeneous resources according to CMS needs will also be reported.

Pérez-Calero Yzquierdo, Antonio↗
DOE OSTI2020

Arabidopsis Dehiscence Zone Polygalacturonase 1 (ADPG1) releases latent defense signals in stems with reduced lignin content

There is considerable interest in engineering plant cell wall components, particularly lignin, to improve forage quality and biomass properties for processing to fuels and bioproducts. However, modifying lignin content and/or composition in transgenic plants through down-regulation of lignin biosynthetic enzymes can induce expression of defense response genes in the absence of biotic or abiotic stress. Arabidopsis thaliana lines with altered lignin through down-regulation of hydroxycinnamoyl CoA:shikimate/quinate hydroxycinnamoyl transferase (HCT) or loss of function of cinnamoyl CoA reductase 1 (CCR1) express a suite of pathogenesis-related (PR) protein genes. The plants also exhibit extensive cell wall remodeling associated with induction of multiple cell wall-degrading enzymes, a process which renders the corresponding biomass a substrate for growth of the cellulolytic thermophile Caldicellulosiruptor bescii lacking a functional pectinase gene cluster. The cell wall remodeling also results in the release of size- and charge-heterogeneous pectic oligosaccharide elicitors of PR gene expression. Genetic analysis shows that both in planta PR gene expression and release of elicitors are the result of ectopic expression in xylem of the gene Arabidopsis Dehiscence Zone Polygalacturonase 1 (ADPG1), which is normally expressed during anther and silique dehiscence. These data highlight the importance of pectin in cell wall integrity and the value of lignin modification as a tool to interrogate the informational content of plant cell walls.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Cross-correlation of the extragalactic gamma-ray background with the thermal Sunyaev-Zel’dovich effect in the cosmic microwave background

Cosmic rays in galaxy clusters are unique probes of energetic processes operating with large-scale structures in the Universe. Precise measurements of cosmic rays in galaxy clusters are essential for improving our understanding of nonthermal components in the intracluster medium (ICM) as well as the accuracy of cluster mass estimates in cosmological analyses. In this paper, we perform a cross-correlation analysis with the extragalactic gamma-ray background and the thermal Sunyaev-Zeldovich (tSZ) effect in the cosmic microwave background. The expected cross-correlation signal would contain rich information about the cosmic-ray-induced gamma-ray emission in the most massive galaxy clusters at $\textit{z}$ ~ 0.1 – 0.2 . We analyze the gamma-ray background map with 8 years of data taken by the Large Area Telescope onboard Fermi satellite and the publicly available tSZ map by Planck. We confirm that the measured cross-correlation is consistent with a null detection, and thus it enables us to put the tightest constraint on the acceleration efficiency of cosmic-ray protons at shocks in and around galaxy clusters. In this work, we find the acceleration efficiency must be below 5% with a 2σ confidence level when the hydrostatic mass bias of clusters is assumed to be 30%, and our result is not significantly affected by the assumed value of the hydrostatic mass bias. Our constraint implies that the nonthermal cosmic-ray pressure in the ICM can introduce only a≲3% level of the hydrostatic mass bias, highlighting that cosmic rays alone do not account for the mass bias inferred by the Planck analyses. Finally, we discuss future detectability prospects of cosmic-ray-induced gamma rays from the Perseus cluster for the Cherenkov Telescope Array.

79 ASTRONOMY AND ASTROPHYSICS↗