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All sourcesNASA NTRSDOE OSTI
DOE OSTI2011

Designer Phase Transitions in Lithium-Based Spinels (Final Report)

When electrons in a metal become correlated with each other, new cooperative behavior can arise. This correlation is magnified when the metal has magnetic ions embedded in it. These atomic magnets try to line up with each other, but in doing so actually create a correlation between the motions of conduction electrons. In turn, these correlated electron motions prevent the magnetic ions from aligning, even at zero Kelvin. When this competition is strongest (at the so-called quantum critical point-QCP) the response of the system can no longer be described using the text book theory for metals. In addition, a range of new phenomena has been seen to emerge in the vicinity of a QCP, such as heavy-fermion superconductivity, coexistence of magnetism and superconductivity and hyper-scaling. The main goal of our research is to try to unravel the details of the feedback mechanism between electron motion and magnetism that lies at the heart of this new physics. We have chosen lithium-based spinel structures as the most promising family of systems to achieve our goal. Known lithium-based spinels Li x M 2 O 4 [M=V, Ti and Mn] show a variety of ground states: heavy-fermion, superconducting, or geometrically frustrated local moment systems. Li x M 2 O 4 should be ideal systems for studying QCPs since their properties can easily be fine-tuned, simply by extracting some Li [which can be done without introducing disorder in the immediate surroundings of the magnetic ions]. The premise of the proposal was that since this Li-extraction can be done both in the metallic as well as in insulating compounds, that we can expand the types of quantum phase transitions that can be studied to beyond transitions in magnetic metals. The project called for developing a better understanding of quantum phase transitions by measuring all aspects of the electronic response of Li x M 2 O 4 by means of neutron scattering, giving microscopic information about the behavior of the individual magnetic moments and their interactions, as well as by macroscopic measurements. In addition, the aim was to synthesize new lithium-based spinel compounds by using other transition metals that exhibit both 3 + and 4 + valencies. Here we report on the progress we have made during the course of this grant both towards the stated goals and on new avenues that developed as a direct result of the data we collected during this grant.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Frontogenesis and frontal arrest of a dense filament in the oceanic surface boundary layer

The evolution of upper ocean currents involves a set of complex, poorly understood interactions between submesoscale turbulence (e.g. density fronts and filaments and coherent vortices) and smaller-scale boundary-layer turbulence. Here we simulate the lifecycle of a cold (dense) filament undergoing frontogenesis in the presence of turbulence generated by surface stress and/or buoyancy loss. This phenomenon is examined in large-eddy simulations with resolved turbulent motions in large horizontal domains using ${\sim}10^{10}$ grid points. Steady winds are oriented in directions perpendicular or parallel to the filament axis. Due to turbulent vertical momentum mixing, cold filaments generate a potent two-celled secondary circulation in the cross-filament plane that is frontogenetic, sharpens the cross-filament buoyancy and horizontal velocity gradients and blocks Ekman buoyancy flux across the cold filament core towards the warm filament edge. Within less than a day, the frontogenesis is arrested at a small width, ${\approx}100~\text{m}$ , primarily by an enhancement of the turbulence through a small submesoscale, horizontal shear instability of the sharpened filament, followed by a subsequent slow decay of the filament by further turbulent mixing. The boundary-layer turbulence is inhomogeneous and non-stationary in relation to the evolving submesoscale currents and density stratification. The occurrence of frontogenesis and arrest are qualitatively similar with varying stress direction or with convective cooling, but the detailed evolution and flow structure differ among the cases. Thus submesoscale filament frontogenesis caused by boundary-layer turbulence, frontal arrest by frontal instability and frontal decay by forward energy cascade, and turbulent mixing are generic processes in the upper ocean.

Mechanics↗
DOE OSTI2012

Class 1 Permit Modification Notification Addition of Structures within Technical Area 54, Area G, Pad 11, Dome 375 Los Alamos National Laboratory Hazardous Waste Facility Permit, July 2012

The purpose of this letter is to notify the New Mexico Environment Department-Hazardous Waste Bureau (NMED-HWB) of a Class 1 Permit Modification to the Los Alamos National Laboratory (LANL) Hazardous Waste Facility Permit issued to the Department of Energy (DOE) and Los Alamos National Security, LLC (LANS) in November 2010. The modification adds structures to the container storage unit at Technical Area (TA) 54 Area G, Pad 11. Permit Section 3.1(3) requires that changes to the location of a structure that does not manage hazardous waste shall be changed within the Permit as a Class 1 modification without prior approval in accordance with Code of Federal Regulations, Title 40 (40 CFR), {section}270.42(a)(1). Structures have been added within Dome 375 located at TA-54, Area G, Pad 11 that will be used in support of waste management operations within Dome 375 and the modular panel containment structure located within Dome 375, but will not be used as waste management structures. The Class 1 Permit Modification revises Figure 36 in Attachment N, Figures; and Figure G.12-1 in Attachment G.12, Technical Area 54, Area G, Pad 11 Outdoor Container Storage Unit Closure Plan. Descriptions of the structures have also been added to Section A.4.2.9 in Attachment A, TA - Unit Descriptions; and Section 2.0 in Attachment G.12, Technical Area 54, Area G, Pad 11 Outdoor Container Storage Unit Closure Plan. Full description of the permit modification and the necessary changes are included in Enclosure 1. The modification has been prepared in accordance with 40 CFR {section}270.42(a)(l). This package includes this letter and an enclosure containing a description of the permit modification, text edits of the Permit sections, and the revised figures (collectively LA-UR-12-22808). Accordingly, a signed certification page is also enclosed. Three hard copies and one electronic copy of this submittal will be delivered to the NMED-HWB.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Old Woman Creek Wetland Sediment and Electrochemical Sensor Microbial Community, 2023

We are developing a technique to monitor microbiological activities referred to as zero resistance ammetry, which entails the deployment of graphite electrodes in sediments. Measurement of current between electrodes of contrasting redox regimes and/or predominant terminal electron accepting processes can be used as an indicator of the extents of microbiological activity. We deployed an electrode array at depths of 2 mm, 4 mm, 76 mm, 78 mm, 152 mm, 154 mm, 227 mm, and 229 mm below the wetland sediment water interface in the Old Woman Creek National Estuarine Research Center, Huron, OH, USA (Lat. = 41.380833, Long. = -82.508889). A core was collected from adjacent sediment and subsamples were collected from depth intervals of 0 – 25 mm, 25 – 127 mm, 127 – 128 mm, and below 178 mm. To determine if the microbial communities attached to the electrodes were reflective of the adjacent sediment-associated microbial community, we conducted a 16S rRNA gene-based (V4 region) survey of these respective materials. This data package contains the results of these surveys, including metadata on the depths from which samples were collected (samples.csv), DNA extraction and sequencing information (OWC_DEPTH_AMPLICON_SEQUENCING_METADATA), sequence processing information (OWC_DEPTH_BIOINFORMATIC_METADATA.csv), an operational taxonomic unit (OTU) table (OWC_DEPTH_97OTUS_TABLE.csv), and nucleotide sequences of OTUs (OWC_DEPTH_97OTUS_SEQS.fasta). All files can be opened using a text-editing application. The fasta file is compatible with bioinformatics applications.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Core Mass Estimates in Strong Lensing Galaxy Clusters Using a Single-halo Lens Model

The core mass of galaxy clusters is an important probe of structure formation. Here we evaluate the use of a single-halo model (SHM) as an efficient method to estimate the strong lensing cluster core mass, testing it with ray-traced images from the Outer Rim simulation. Unlike detailed lens models, the SHM represents the cluster mass distribution with a single halo and can be automatically generated from the measured lensing constraints. In this work we find that the projected core mass estimated with this method, $M_{\text{SHM}}$, has a scatter of 8.52% and a bias of 0.90% compared to the "true" mass within the same aperture. Our analysis shows no systematic correlation between the scatter or bias and the lens-source system properties. The bias and scatter can be reduced to 3.26% and 0.34%, respectively, by excluding models that fail a visual inspection test. We find that the SHM success depends on the lensing geometry, with single giant arc configurations accounting for most of the failed cases due to their limiting constraining power. When excluding such cases, we measure a scatter and bias of 3.88% and 0.84%, respectively. Finally, we find that when the source redshift is unknown, the model-predicted redshifts are overestimated, and the $M_{\text{SHM}}$ is underestimated by a few percent, highlighting the importance of securing spectroscopic redshifts of background sources. Our analysis provides a quantitative characterization of $M_{\text{SHM}}$, enabling its efficient use as a tool to estimate the strong lensing cluster core masses in the large samples, expected from current and future surveys.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2009

The GuideView System for Interactive, Structured, Multi-modal Delivery of Clinical Guidelines

GuideView is a computerized clinical guideline system which delivers clinical guidelines in an easy-to-understand and easy-to-use package. It may potentially enhance the quality of medical care or allow non-medical personnel to provide acceptable levels of care in situations where physicians or nurses may not be available. Such a system can be very valuable during space flight missions when a physician is not readily available, or perhaps the designated medical personnel is unable to provide care. Complex clinical guidelines are broken into simple steps. At each step clinical information is presented in multiple modes, including voice,audio, text, pictures, and video. Users can respond via mouse clicks or via voice navigation. GuideView can also interact with medical sensors using wireless or wired connections. The system's interface is illustrated and the results of a usability study are presented.

Iyengar, Sriram↗
DOE OSTI2025

Consistent performance of large language models in rare disease diagnosis across ten languages and 4917 cases

Background Large language models (LLMs) are increasingly used medicine for diverse applications including differential diagnostic support. The training data used to create LLMs such as the Generative Pretrained Transformer (GPT) predominantly consist of English-language texts, but LLMs could be used across the globe to support diagnostics if language barriers could be overcome. Initial pilot studies on the utility of LLMs for differential diagnosis in languages other than English have shown promise, but a large-scale assessment on the relative performance of these models in a variety of European and non-European languages on a comprehensive corpus of challenging rare-disease cases is lacking. Methods We created 4917 clinical vignettes using structured data captured with Human Phenotype Ontology (HPO) terms with the Global Alliance for Genomics and Health (GA4GH) Phenopacket Schema. These clinical vignettes span a total of 360 distinct genetic diseases with 2525 associated phenotypic features. We used translations of the Human Phenotype Ontology together with language-specific templates to generate prompts in English, Chinese, Czech, Dutch, French, German, Italian, Japanese, Spanish, and Turkish. We applied GPT-4o, version gpt-4o-2024-08-06, and the medically fine-tuned Meditron3-70B to the task of delivering a ranked differential diagnosis using a zero-shot prompt. An ontology-based approach with the Mondo disease ontology was used to map synonyms and to map disease subtypes to clinical diagnoses in order to automate evaluation of LLM responses. Findings For English, GPT-4o placed the correct diagnosis at the first rank 19.9% and within the top-3 ranks 27.0% of the time. In comparison, for the nine non-English languages tested here the correct diagnosis was placed at rank 1 between 16.9% and 20.6%, within top-3 between 25.4% and 28.6% of cases. The Meditron3 model placed the correct diagnosis within the first 3 ranks for 20.9% of cases in English and between 19.9% and 24.0% for the other nine languages. Interpretation The differential diagnostic performance of LLMs across a comprehensive corpus of rare-disease cases was largely consistent across the ten languages tested. This suggests that the utility of LLMs in clinical settings may extend to non-English clinical settings.

Artificial intelligence↗
DOE OSTI2019

Complex transport and magnetism in inhomogeneous mixed valence Ce 3 Ir 4 Ge 13

We report the discovery of Ce 3 Ir 4 Ge 13 , a Remeika phase with a complex array of structural, electronic, and magnetic properties. In this work, our single crystal x-ray diffraction measurements show that Ce 3 Ir 4 Ge 13 forms in the tetragonally distorted $I4_1/amd$ space group, which has three distinct rare earth sites. The electrical resistivity is almost temperature independent over three decades in temperature, from 0.4 K to 400 K, while the Hall coefficient measurements are consistent with a low-carrier semimetal. Magnetic susceptibility measurements reveal an effective moment, $μ^\text{exp}_\text{eff} = 1.87μ_B/$Ce, that falls significantly short of the expected value for Ce 3+ , suggesting that two of the rare earth sites are occupied by magnetic Ce 3+ while the third is occupied by nonmagnetic Ce 4+ . Upon cooling, Ce 3 Ir 4 Ge 13 first enters a short range magnetically ordered state below $T_\text{SRO}$ = 10 K, marked by a deviation from Curie-Weiss behavior in susceptibility and a broad field-independent heat capacity anomaly. At lower temperatures, we observe a second, sharper peak in the heat capacity at $T^\ast$ = 1.7 K, concurrent with a splitting of the field-cooled and zero-field-cooled susceptibilities. A small resistivity drop at $T^\ast$ suggests a loss of spin disorder scattering consistent with a magnetic ordering or spin freezing transition. Ce 3 Ir 4 Ge 13 is therefore a rare example of an inhomogeneous mixed valence compound with a complex array of thermodynamic and transport properties.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Essential Statistical Concepts

Statistical methods are an essential element to making quality measurements, allowing the organization and interrogation of data in a structured way. This introductory chapter describes key concepts of measurement statistics that are used in many nondestructive assay (NDA) methods and is intended as a primer to the reading list provided in the reference section. (Croft and Burr 2016; Smith 1991; Smith 2013; Taylor 1997; Triola 2017). The textbooks by Triola on elementary statistics (Figure 1), Taylor, and Smith (2013) introduce uncertainty analysis in the physical sciences. Smith (1991) provides a rigorous introduction with examples to correlated variables. These texts collectively offer an excellent foundation for understanding essential statistical concepts.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Developing Bloom Filters for Web Archives’ Holdings (Final Project Report)

The main goal of the project was to develop a framework for web archives to create Bloom filters based on their holdings of archived web resources. A Bloom filter (BF) is a data structure that, in our scenario, contains hash values of all (or a subset of) URLs, of which an archive has one or more archival copies. Two main use cases fall in scope for this project and are supported by a BF implementation: 1) Sharing of an archive’s holdings (URLs) and 2) Querying the holdings of one or more archives. Since URL strings are hashed before ingested into the BF, the index of an archive is not shared in plain text when the BF is shared with trusted parties. On the other hand, a BF implementation does allow queries for a URL to confirm if an archive indeed has one or more archival copies of that URL. This collaborative project between Los Alamos National Laboratory (LANL) and the Croatian Web Archive (HAW), from the National and University Library in Zagreb (NSK), developed by NSK and University of Zagreb University Computing Center SRCE), aimed at developing software to create BFs, evaluate the scalability of the approach, pilot a search service based on BFs, and design a framework for archives to share their filters with trusted parties. In the remainder of this document, we will report on the work completed with respect to the individual deliverables, outline aspects of future work, and conclude with our recommendations for the use of BFs for the web archiving community.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Optical emissivity dataset of multi-material heterogeneous designs generated with automated figure extraction

Optical device design is typically an iterative optimization process based on a good initial guess from prior reports. Optical properties databases are useful in this process but difficult to compile because their parsing requires finding relevant papers and manually converting graphical emissivity curves to data tables. Here, we present two contributions: one is a dataset of thermal emissivity records with design-related parameters, and the other is a software tool for automated colored curve data extraction from scientific plots. We manually collected 64 papers with 176 figures reporting thermal emissivity and automatically retrieved 153 colored curve data records. The automated figure analysis software pipeline uses Faster R-CNN for axes and legend object detection, EasyOCR for axes numbering recognition, and k-means clustering for colored curve retrieval. Additionally, we manually extracted geometry, materials, and method information from the text to add necessary metadata to each emissivity curve. Finally, we analyzed the dataset to determine the dominant classes of emissivity curves and determine the underlying design parameters leading to a type of emissivity profile.

47 OTHER INSTRUMENTATION↗
DOE OSTI2016

Fallon FORGE 3D Geologic Model

An x,y,z scattered data file for the 3D geologic model of the Fallon FORGE site. Model created in Earthvision by Dynamic Graphic Inc. The model was constructed with a grid spacing of 100 m. Geologic surfaces were extrapolated from the input data using a minimum tension gridding algorithm. The data file is tabular data in a text file, with lithology data associated with X,Y,Z grid points. All the relevant information is in the file header (the spatial reference, the projection etc.) In addition all the fields in the data file are identified in the header.

15 GEOTHERMAL ENERGY↗
DOE OSTI2021

Data from: "Ecophysiological variation in two provenances of Pinus flexilis seedlings across an elevation gradient from forest to alpine"

This archive contains data used to support conclusions drawn in “Ecophysiological variation in two provenances of Pinus flexilis seedlings across an elevation gradient from forest to alpine”, by Reinhardt et al., 2011. Data were collected over one summer season in plots within the Alpine Treeline Warming Experiment (ATWE), before climate manipulations began. The experiment was located on Niwot Ridge, in the Front Range of the Colorado Rocky Mountains. This data package includes five comma-separated-values (.csv) files, five Microsoft Excel (.xlsx) files, one .pdf file, and two types of geospatial files: keyhole markup language (.kml), and ESRI shapefiles (.shp). .csv files can be opened using any simple text-editing software (such as Notepad and TextEdit), R, and Microsoft Excel. .xlsx files can only be opened using Microsoft Excel. The .pdf file can be opened using Adobe Acrobat Reader or any other compatible file viewing software. The .kml file can be opened using Google Earth and Google Maps, and shapefiles can be opened using any software compatible with the file type, such as ESRI’s ArcGIS suite and QGIS.Data archived contain gas exchange and plant physiology measurements, non-structural carbohydrate data, among others. Geospatial files are also provided for additional locational context. The files and their contents in this data package are summarized under "Data Summary" in the included Data User's Guide. All files (excluding geospatial) are available in both Microsoft Excel and in .csv format, and are indicated in the Data Summary list as well.-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------Climate change is predicted to cause upward shifts in forest tree distributions, which will require seedling recruitment beyond current forest boundaries. However, predicting the likelihood of successful plant establishment beyond current species’ ranges under changing climate is complicated by the interaction of genetic and environmental controls on seedling establishment. To determine how genetics and climate may interact to affect seedling establishment, we transplanted recently germinated seedlings from high- and low-elevation provenances (HI and LO, respectively) of Pinus flexilis in common gardens arrayed along an elevation and canopy gradient from subalpine forest into the alpine zone and examined differences in physiology and morphology between provenances and among sites. Plant dry mass, projected leaf area and shoot:root ratios were 12–40% greater in LO compared with HI seedlings at each elevation. There were no significant changes in these variables among sites except for decreased dry mass of LO seedlings in the alpine site. Photosynthesis, carbon balance (photosynthesis/respiration) and conductance increased >2× with elevation for both provenances, and were 35–77% greater in LO seedlings compared with HI seedlings. There were no differences in dark-adapted chlorophyll fluorescence (Fv/Fm) among sites or between provenances. Our results suggest that for P. flexilis seedlings, provenances selected for above-ground growth may outperform those selected for stress resistance in the absence of harsh climatic conditions, even well above the species’ range limits in the alpine zone. This indicates that forest genetics may be important to understanding and managing species’ range adjustments due to climate change.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2004

User Evaluation of the NASA Technical Report Server Recommendation Service

We present the user evaluation of two recommendation server methodologies implemented for the NASA Technical Report Server (NTRS). One methodology for generating recommendations uses log analysis to identify co-retrieval events on full-text documents. For comparison, we used the Vector Space Model (VSM) as the second methodology. We calculated cosine similarities and used the top 10 most similar documents (based on metadata) as 'recommendations'. We then ran an experiment with NASA Langley Research Center (LaRC) staff members to gather their feedback on which method produced the most 'quality' recommendations. We found that in most cases VSM outperformed log analysis of co-retrievals. However, analyzing the data revealed the evaluations may have been structurally biased in favor of the VSM generated recommendations. We explore some possible methods for combining log analysis and VSM generated recommendations and suggest areas of future work.

Nelson, Michael L.↗
NASA NTRS2004

User Evaluation of the NASA Technical Report Server Recommendation Service

We present the user evaluation of two recommendation server methodologies implemented for the NASA Technical Report Server (NTRS). One methodology for generating recommendations uses log analysis to identify co-retrieval events on full-text documents. For comparison, we used the Vector Space Model (VSM) as the second methodology. We calculated cosine similarities and used the top 10 most similar documents (based on metadata) as recommendations . We then ran an experiment with NASA Langley Research Center (LaRC) staff members to gather their feedback on which method produced the most quality recommendations. We found that in most cases VSM outperformed log analysis of co-retrievals. However, analyzing the data revealed the evaluations may have been structurally biased in favor of the VSM generated recommendations. We explore some possible methods for combining log analysis and VSM generated recommendations and suggest areas of future work.

Nelson, Michael L.↗
NASA NTRS1989

Spatial issues in user interface design from a graphic design perspective

The user interface of a computer system is a visual display that provides information about the status of operations on data within the computer and control options to the user that enable adjustments to these operations. From the very beginning of computer technology the user interface was a spatial display, although its spatial features were not necessarily complex or explicitly recognized by the users. All text and nonverbal signs appeared in a virtual space generally thought of as a single flat plane of symbols. Current technology of high performance workstations permits any element of the display to appear as dynamic, multicolor, 3-D signs in a virtual 3-D space. The complexity of appearance and the user's interaction with the display provide significant challenges to the graphic designer of current and future user interfaces. In particular, spatial depiction provides many opportunities for effective communication of objects, structures, processes, navigation, selection, and manipulation. Issues are presented that are relevant to the graphic designer seeking to optimize the user interface's spatial attributes for effective visual communication.

Marcus, Aaron↗
DOE OSTI2026

Two-component dynamics in supercritical $\text {CO}_2$ from inelastic X-ray scattering

Supercritical fluids are characterized by unique thermodynamic properties. One of these properties is the existence of two-component dynamics that is associated with distinct low-frequency and high-frequency vibrational responses of the fluid. However, the origin of this behavior remains unknown. By combining inelastic X-ray scattering and molecular dynamics simulations, we show that this behavior can be connected to density heterogeneities arising from molecular clusters. Analyses of measurements and molecular trajectories suggest that the two-component dynamics emerges due to distinct momentum fluctuations of clustered and unbound molecules. This connection between clusters and two-component dynamics highlights the importance of molecular-structural heterogeneities in supercritical fluids, colloids, and condensed-matter systems.

biophysics↗
DOE OSTI2020

X Fe 4 Ge 2 ( X = Y , Lu ) and Mn 3 Pt : Filling-enforced magnetic topological metals

Magnetism, coupled with nontrivial band topology, can bring about many interesting and exotic phenomena, so that magnetic topological materials have attracted persistent research interest. However, compared with nonmagnetic topological materials (TMs), the magnetic TMs are less studied, since their magnetic structures and topological phase transitions are usually complex and the first-principles predictions are usually sensitive on the effect of Coulomb interaction. Here we present a comprehensive investigation of XFe 4 Ge 2 (X = Y, Lu) and Mn 3 Pt, and find these materials to be filling-enforced magnetic topological metals. Our first-principles calculations show that XFe 4 Ge 2 (X = Y, Lu) host Dirac points near the Fermi level at high symmetry point S. These Dirac points are protected by $\text{P}\mathcal{T}$ symmetry ($\text{P}$ and $\mathcal{T}$ are inversion and time-reversal transformations, respectively) and a twofold screw rotation symmetry. Moreover, through breaking $\text{P}\mathcal{T}$ symmetry, the Dirac points would split into Weyl nodes. Mn 3 Pt is found to host fourfold degenerate band crossings in the whole high symmetry path of A – Z . We also utilize the GGA + U scheme to take into account the effect of Coulomb repulsion and find that the filling-enforced topological properties are naturally insensitive on U .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗