Results for “Open Access” — Page 78

DOE OSTI2024

EM Communications in Rural Nevada Communities – 24177

The paper and presentation titled, “EM Communications in Rural Nevada Communities,” will detail the unique approaches the EM Nevada team takes to communicate to the rural communities through the Groundwater Open House. The paper and presentation will, in addition, focus on the ways EM Nevada communicates its messaging in other rural communities near the NNSS. This includes holding Nevada Site Specific Advisory Board meetings and Low-Level Waste Stakeholders Forum meetings in rural Nevada cities and towns such as Pahrump and Mesquite. The result is advancing stakeholder engagement and relationships in areas of Nevada that might otherwise not be able to access the important information generated by the EM Nevada scientists at the NNSS.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Long-length Scintillating Fibers for Nuclear Geological Repositories

This research focuses on the usage of plastic scintillating fibers as ruggedized detectors in long-length sections coupled to long-length standard optical fiber segments for the purpose of radiation detection and monitoring. This technology addresses a need for monitoring radiation in difficult-to-access or inaccessible areas, such as monitoring: radioactive waste within geological repositories, nuclear material storage facilities, spent fuel dry storage areas, inaccessible areas within nuclear facilities including reactors and reprocessing facilities, decommissioning of nuclear facilities, and other similar areas. The fiber can be placed along the tunnels of a geological repository to monitor the radiation field along its length. This can detect an increase of radiation due to movement, leakage, or unexpected opening of the containers, as well as decrease in the radiation due to removal of material. These capabilities have been demonstrated at INL’s Radioactive Scrap Waste Facility by successfully detecting the removal of an interim storage containers from the storage area. The poster focuses on explaining the technology and its capability in monitoring deep geological repositories (DGRs), especially in the domain of safety and international safeguards. As more countries consider the development of DGRs, technologies such as the one being presented can help establish continuity of knowledge of the material, maintain public confidence, and ensure safe operation of the facility. Furthermore, the poster looks at the future steps of the technology and its potential role in the international safeguards regime.

98 - NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL↗

DOE OSTI2022

Topological surface currents accessed through reversible hydrogenation of the three-dimensional bulk

Hydrogen, the smallest and most abundant element in nature, can be efficiently incorporated within a solid and drastically modify its electronic and structural state. In most semiconductors interstitial hydrogen binds to defects and is known to be amphoteric, namely it can act either as a donor (H + ) or an acceptor (H - ) of charge, nearly always counteracting the prevailing conductivity type. Here we demonstrate that hydrogenation resolves an outstanding challenge in chalcogenide classes of three-dimensional (3D) topological insulators and magnets — the control of intrinsic bulk conduction that denies access to quantum surface transport, imposing severe thickness limits on the bulk. With electrons donated by a reversible binding of H + ions to Te(Se) chalcogens, carrier densities are reduced by over 10 20 cm -3 , allowing tuning the Fermi level into the bulk bandgap to enter surface/edge current channels without altering carrier mobility or the bandstructure. The hydrogen-tuned topological nanostructures are stable at room temperature and tunable disregarding bulk size, opening a breadth of device platforms for harnessing emergent topological states.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Ab initio generalized Langevin equation

We introduce a machine learning–based approach called ab initio generalized Langevin equation (AIGLE) to model the dynamics of slow collective variables (CVs) in materials and molecules. In this scheme, the parameters are learned from atomistic simulations based on ab initio quantum mechanical models. Force field, memory kernel, and noise generator are constructed in the context of the Mori–Zwanzig formalism, under the constraint of the fluctuation–dissipation theorem. Combined with deep potential molecular dynamics and electronic density functional theory, this approach opens the way to multiscale modeling in a variety of situations. Here, we demonstrate this capability with a study of two mesoscale processes in crystalline lead titanate, namely the field-driven dynamics of a planar ferroelectric domain wall, and the dynamics of an extensive lattice of coarse-grained electric dipoles. In the first case, AIGLE extends the reach of ab initio simulations to a regime of noise-driven motions not accessible to molecular dynamics. In the second case, AIGLE deals with an extensive set of CVs by adopting a local approximation for the memory kernel and retaining only short-range noise correlations. The scheme is computationally more efficient than molecular dynamics by several orders of magnitude and mimics the microscopic dynamics at low frequencies where it reproduces accurately the dominant far-infrared absorption frequency.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2015

Possible Space-Based Gravitational-Wave Observatory Mission Concept

The existence of gravitational waves was established by the discovery of the Binary Pulsar PSR 1913+16 by Hulse and Taylor in 1974, for which they were awarded the 1983 Nobel Prize. However, it is the exploitation of these gravitational waves for the extraction of the astrophysical parameters of the sources that will open the first new astronomical window since the development of gamma ray telescopes in the 1970's and enable a new era of discovery and understanding of the Universe. Direct detection is expected in at least two frequency bands from the ground before the end of the decade with Advanced LIGO and Pulsar Timing Arrays. However, many of the most exciting sources will be continuously observable in the band from 0.1-100 mHz, accessible only from space due to seismic noise and gravity gradients in that band that disturb ground-based observatories. This poster will discuss a possible mission concept, Space-based Gravitational-wave Observatory (SGO-Mid) developed from the original Laser Interferometer Space Antenna (LISA) reference mission but updated to reduce risk and cost.

Livas, Jeffrey C.↗

NASA NTRS2015

Possible Space-Based Gravitational-Wave Observatory Mission Concept

The existence of gravitational waves was established by the discovery of the Binary Pulsar PSR 1913+16 by Hulse and Taylor in 1974, for which they were awarded the 1983 Nobel Prize. However, it is the exploitation of these gravitational waves for the extraction of the astrophysical parameters of the sources that will open the first new astronomical window since the development of gamma ray telescopes in the 1970's and enable a new era of discovery and understanding of the Universe. Direct detection is expected in at least two frequency bands from the ground before the end of the decade with Advanced LIGO and Pulsar Timing Arrays. However, many of the most exciting sources will be continuously observable in the band from 0.1-100 mHz, accessible only from space due to seismic noise and gravity gradients in that band that disturb groundbased observatories. This talk will discuss a possible mission concept developed from the original Laser Interferometer Space Antenna (LISA) reference mission but updated to reduce risk and cost.

Livas, Jeffrey C.↗

DOE OSTI2022

An idea to explore: How an interdisciplinary undergraduate course exploring a global health challenge in molecular detail enabled science communication and collaboration in diverse audiences

Abstract Communication and collaboration are key science competencies that support sharing of scientific knowledge with experts and non‐experts alike. On the one hand, they facilitate interdisciplinary conversations between students, educators, and researchers, while on the other they improve public awareness, enable informed choices, and impact policy decisions. Herein, we describe an interdisciplinary undergraduate course focused on using data from various bioinformatics data resources to explore the molecular underpinnings of diabetes mellitus (Types 1 and 2) and introducing students to science communication. Building on course materials and original student‐generated artifacts, a series of collaborative activities engaged students, educators, researchers, healthcare professionals and community members in exploring, learning about, and discussing the molecular bases of diabetes. These collaborations generated novel educational materials and approaches to learning and presenting complex ideas about major global health challenges in formats accessible to diverse audiences.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRSDate not supplied

Acquisition of and Access to Research Omics Data

Omics data are essential for understanding the myriad and complex effects of space environments on humans. To assure maximum benefit from these kinds of data, the NASA Human Research Program Data Management Plan stipulates that human omics data should be archived within and accessed through the NASA Life Sciences Portal (NLSP). The NLSP has the capability to acquire and provision access to omics (and other kinds of) research results for individual and ad-hoc groups of subjects at the direction of institutional review boards, or other authorizing bodies or individuals, per institutional, program and investigation-specific policies and procedures. However, because some single-subject omics data, like CT scans and other kinds of large, complex biomedical data, could be used to identify heretofore unknown risks to the subject’s health, or, in certain cases, be used to identify a subject, NASA Policy Directive 7170.1 describes various policies regarding the management of and access to “research genetic testing” data, which includes many kinds of omics data. For example, NPD 7170.1 prohibits access to human research genetic data by NASA personnel who make employment decisions for the subjects from whom the data were obtained. To meet the objective of acquiring research omics data for NLSP in compliance with the policies in NPD 7170.1 and other applicable NASA policies, we designed NOMADS (the NLSP Omics Multimodal Acquisition of Data System), a new component that supports the transfer of large research data files, including research genetic testing data, using one of several different transfer mechanisms. The choice of mechanism is made by the submitter of the data, with guiding information from the system, and is likely to often be determined in large part by the nature and source location of the data. For example, for small files where the source data files are not already stored in a cloud storage system, users are likely to prefer to transfer their data to the NLSP via a web browser. Conversely, for large sets of files already organized and stored in a cloud storage system, users may opt for NOMAD’s cloud-to-cloud transfer method. All omics datasets targeted for the NASA Life Sciences Data Archive must pass a variety of quality checks to ensure data integrity and adherence to the standards defined by the LSDA Data Submission Guidelines (DSG) (see https://nlsp.nasa.gov/explore/lsdahome/datasubmit). These include requirements that data are consistent with open standards established by the omics community. Non-compliant data will not be accepted however archivists are available to advise submitters on how to revise data submissions and re-submit until compliance is achieved. Following compliance with the LSDA DSG, omics data next undergo a variety of additional quality checks to ensure the data meet omics community standards. Domain specific Omics data quality control tools and techniques are continually evolving and linked to the advancements in omics assays utilized and thus, the tools and techniques utilized by the LSDA for data quality control and validation will need to be sustained accordingly. All human omics data will be access controlled according to the policies described above, and requiring IRB approval for any additional access grants once the data are acquired (including access for analysis using the NLSP workspace tools).

Omics↗

NASA NTRS2024

Acquisition of and Access to Research Omics Data

Omics data are essential for understanding the myriad and complex effects of space environments on humans. To assure maximum benefit from these kinds of data, the NASA Human Research Program Data Management Plan stipulates that human omics data should be archived within and accessed through the NASA Life Sciences Portal (NLSP). The NLSP has the capability to acquire and provision access to omics (and other kinds of) research results for individual and ad-hoc groups of subjects at the direction of institutional review boards, or other authorizing bodies or individuals, per institutional, program and investigation-specific policies and procedures. However, because some single-subject omics data, like CT scans and other kinds of large, complex biomedical data, could be used to identify heretofore unknown risks to the subject’s health, or, in certain cases, be used to identify a subject, NASA Policy Directive 7170.1 describes various policies regarding the management of and access to “research genetic testing” data, which includes many kinds of omics data. For example, NPD 7170.1 prohibits access to human research genetic data by NASA personnel who make employment decisions for the subjects from whom the data were obtained. To meet the objective of acquiring research omics data for NLSP in compliance with the policies in NPD 7170.1 and other applicable NASA policies, we designed NOMADS (the NLSP Omics Multimodal Acquisition of Data System), a new component that supports the transfer of large research data files, including research genetic testing data, using one of several different transfer mechanisms. The choice of mechanism is made by the submitter of the data, with guiding information from the system, and is likely to often be determined in large part by the nature and source location of the data. For example, for small files where the source data files are not already stored in a cloud storage system, users are likely to prefer to transfer their data to the NLSP via a web browser. Conversely, for large sets of files already organized and stored in a cloud storage system, users may opt for NOMAD’s cloud-to-cloud transfer method. All omics datasets targeted for the NASA Life Sciences Data Archive must pass a variety of quality checks to ensure data integrity and adherence to the standards defined by the LSDA Data Submission Guidelines (DSG) (see https://nlsp.nasa.gov/explore/lsdahome/datasubmit). These include requirements that data are consistent with open standards established by the omics community. Non-compliant data will not be accepted however archivists are available to advise submitters on how to revise data submissions and re-submit until compliance is achieved. Following compliance with the LSDA DSG, omics data next undergo a variety of additional quality checks to ensure the data meet omics community standards. Domain specific Omics data quality control tools and techniques are continually evolving and linked to the advancements in omics assays utilized and thus, the tools and techniques utilized by the LSDA for data quality control and validation will need to be sustained accordingly. All human omics data will be access controlled according to the policies described above, and requiring IRB approval for any additional access grants once the data are acquired (including access for analysis using the NLSP workspace tools).

Omics↗

DOE OSTI2021

Scalable, safer and greener syntheses of vinylimidazoles via reactive distillation of hydroxyethylimidazole intermediates

Not provided.

Polymer Science↗

DOE OSTI2025

MolViewSpec: a Mol* extension for describing and sharing molecular visualizations

Data visualization is a pivotal component of a structural biologist’s arsenal. The Mol* Viewer makes molecular visualizations available to broader audiences via most web browsers. While Mol* provides a wide range of functionality, it has a steep learning curve and is only available via a JavaScript interface. To enhance the accessibility and usability of web-based molecular visualization, we introduce MolViewSpec (molstar.org/mol-view-spec), a standardized approach for defining molecular visualizations that decouples the definition of complex molecular scenes from their rendering. Scene definition can include references to commonly used structural, volumetric, and annotation data formats together with a description of how the data should be visualized and paired with optional annotations specifying colors, labels, measurements, and custom 3D geometries. Developed as an open standard, this solution paves the way for broader interoperability and support across different programming languages and molecular viewers, enabling more streamlined, standardized, and reproducible visual molecular analyses. MolViewSpec is freely available as a Mol* extension and a standalone Python package.

Midlik, Adam [European Bioinformatics Institute (U↗

DOE OSTI2021

Radiation Detection Data Competition Report

In FY2018 through FY2020, NA-22, the Defense Nuclear Nonproliferation Research and Development Program, funded a Data Science project to develop and implement statistical methodology to effectively host data competitions with the goal of leveraging the opportunity provided by crowdsourcing. By accessing and engaging expertise from a broader research community, there is an opportunity to attract innovative solutions from a variety of different research disciplines to advance the ability to solve important non-proliferation problems. This report summarizes the key results of this project after hosting two data competitions focused on urban radiation detection. The first competition was focused on attracting participants from the U.S. national laboratories, while the second, hosted by TopCoder, was open to the broader international community and awarded prize money to the top 10 competitors. At the start of the project, there was strong interest from NA-22 to explore and develop the capability to host data competitions as a means of leveraging the broader community to solve important nuclear nonproliferation problems. Having a standard data set on which to compare different approaches based on clearly defined criteria was desirable to be able to evaluate the state of solutions for important problems. Initially, it was not clear that it would even be possible logistically and bureaucratically to host a competition with an international field of competitors and to award the prize money needed to attract solutions from top competitors. Happily, a path to host the competitions was ultimately found that allowed this powerful accelerator of improvements to be leveraged.

61 RADIATION PROTECTION AND DOSIMETRY↗

NASA NTRS1992

STELAR: An experiment in the electronic distribution of astronomical literature

STELAR (Study of Electronic Literature for Astronomical Research) is a Goddard-based project designed to test methods of delivering technical literature in machine readable form. To that end, we have scanned a five year span of the ApJ, ApJ Supp, AJ and PASP, and have obtained abstracts for eight leading academic journals from NASA/STI CASI, which also makes these abstracts available through the NASA RECON system. We have also obtained machine readable versions of some journal volumes from the publishers, although in many instances, the final typeset versions are no longer available. The fundamental data object for the STELAR database is the article, a collection of items associated with a scientific paper - abstract, scanned pages (in a variety of formats), figures, OCR extractions, forward and backward references, errata and versions of the paper in various formats (e.g., TEX, SGML, PostScript, DVI). Articles are uniquely referenced in the database by journal name, volume number and page number. The selection and delivery of articles is accomplished through the WAIS (Wide Area Information Server) client/server models requiring only an Internet connection. Modest modifications to the server code have made it capable of delivering the multiple data types required by STELAR. WAIS is a platform independent and fully open multi-disciplinary delivery system, originally developed by Thinking Machines Corp. and made available free of charge. It is based on the ISO Z39.50 standard communications protocol. WAIS servers run under both UNIX and VMS. WAIS clients run on a wide variety of machines, from UNIX-based Xwindows systems to MS-DOS and macintosh microcomputers. The WAIS system includes full-test indexing and searching of documents, network interface and easy access to a variety of document viewers. ASCII versions of the CASI abstracts have been formatted for display and the full test of the abstracts has been indexed. The entire WAIS database of abstracts is now available for use by the astronomical community. Enhancements of the search and retrieval system are under investigation to include specialized searches (by reference, author or keyword, as opposed to full test searches), improved handling of word stems, improvements in relevancy criteria and other retrieval techniques, such as factor spaces. The STELAR project has been assisted by the full cooperation of the AAS, the ASP, the publishers of the academic journals, librarians from GSFC, NRAO and STScI, the Library of Congress, and the University of North Carolina at Chapel Hill.

Warnock, A.↗

NASA NTRS1998

Secure Web-based Ground System User Interfaces over the Open Internet

A prototype has been developed which makes use of commercially available products in conjunction with the Java programming language to provide a secure user interface for command and control over the open Internet. This paper reports successful demonstration of: (1) Security over the Internet, including encryption and certification; (2) Integration of Java applets with a COTS command and control product; (3) Remote spacecraft commanding using the Internet. The Java-based Spacecraft Web Interface to Telemetry and Command Handling (Jswitch) ground system prototype provides these capabilities. This activity demonstrates the use and integration of current technologies to enable a spacecraft engineer or flight operator to monitor and control a spacecraft from a user interface communicating over the open Internet using standard World Wide Web (WWW) protocols and commercial off-the-shelf (COTS) products. The core command and control functions are provided by the COTS Epoch 2000 product. The standard WWW tools and browsers are used in conjunction with the Java programming technology. Security is provided with the current encryption and certification technology. This system prototype is a step in the direction of giving scientist and flight operators Web-based access to instrument, payload, and spacecraft data.

Langston, James H.↗

DOE OSTI2020

Catalytic Dynamic Kinetic Resolutions in Tandem to Construct Two-Axis Terphenyl Atropisomers

The defined structure of molecules bearing multiple stereogenic axes is of increasing relevance to materials science, pharmaceuticals, and catalysis. However, catalytic enantioselective approaches to control multiple stereogenic axes remain synthetically challenging. Here, we report the catalytic synthesis of two-axis terphenyl atropisomers, with complementary strategies to both chlorinated and brominated variants, formed with high diastereo- and enantioselectivity. The chemistry proceeds through a sequence of two distinct dynamic kinetic resolutions: first, an atroposelective ring opening of Bringmann-type lactones produces a product with one established axis of chirality, and second, a stereoselective arene halogenation delivers the product with the second axis of chirality established. In order to achieve these results, a class of Brønsted basic guanidinylated peptides, which catalyze an efficient atroposelective chlorination, is reported for the first time. In addition, a complementary bromination is reported, which also establishes the second stereogenic axis. These bromo-terphenyls are accessible following the discovery that chiral anion phase transfer catalysis by C 2 -symmetric phosphoric acids allows catalyst control in the second stereochemistry-determining event. Accordingly, we established the fully catalyst-controlled stereodivergent synthesis of all possible chlorinated stereoisomers while also demonstrating diastereodivergence in the brominated variants, with significant levels of enantioselectivity in all cases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Decentralized Collaborative Learning with Probabilistic Data Protection

We discuss future directions of Blockchain as a collaborative value co-creation platform, in which network participants can gain extra insights that cannot be accessed when disconnected from the others. As such, we propose a decentralized machine learning framework that is carefully designed to respect the values of democracy, diversity, and privacy. Specifically, we propose a federated multi-task learning framework that integrates a privacy-preserving dynamic consensus algorithm. We show that a specific network topology called the expander graph dramatically improves the scalability of global consensus building. We conclude the paper by making some remarks on open problems.

Ide, Tsuyoshi↗

NASA NTRS2016

Community Involvement in Enhancing the Global Change Master Directory (GCMD) Controlled Vocabularies (Keywords)

NASA's Global Change Master Directory (GCMD) develops and expands a hierarchical set of controlled vocabularies (keywords) covering the Earth sciences and associated information (data centers, projects, platforms, instruments, etc.). The purpose of the keywords is to describe Earth science data and services in a consistent and comprehensive manner, allowing for the precise searching of metadata and subsequent retrieval of data and services. The keywords are accessible in a standardized SKOSRDFOWL representation and are used as an authoritative taxonomy, as a source for developing ontologies, and to search and access Earth Science data within online metadata catalogues. The keyword development approach involves: (1) receiving community suggestions, (2) triaging community suggestions, (3) evaluating the keywords against a set of criteria coordinated by the NASA ESDIS Standards Office, and (4) publication/notification of the keyword changes. This approach emphasizes community input, which helps ensure a high quality, normalized, and relevant keyword structure that will evolve with users changing needs. The Keyword Community Forum, which promotes a responsive, open, and transparent processes, is an area where users can discuss keyword topics and make suggestions for new keywords. The formalized approach could potentially be used as a model for keyword development.

governance↗

NASA NTRSDate not supplied

Improving GES Disc Data Search and Discovery Through AI Metadata Augmentation

NASA’s Goddard Earth Science (GES) Data and Information Services Center (DISC) is one of twelve data centers in NASA's Science Mission Directorate (SMD), providing vital earth science data to a diverse user base. To enhance the discoverability of this data, GES DISC employs a keyword search system, which leverages scientific keywords embedded in dataset metadata. However, the evolving nature of scientific applications of our data necessitates regular review and augmentation of these keywords. To address this, we developed a service to automatically predict missing science keywords in the metadata. This service constructs a knowledge graph from the latest GES DISC metadata within NASA’s Common Metadata Repository (CMR). Using an open-source library, we trained a machine learning model to predict absent science keywords in the metadata. Our preliminary results indicate that the model has high levels of accuracy at predicting science keywords in the dataset metadata when exposed to data not included in its training. These predicted keywords were then evaluated by GES DISC data curation scientists and compared against other AI tools for metadata augmentation. We aim to enhance the overall usability and accessibility of NASA’s earth science data by implementing this tool in our data curation processes.

Kendall Gilbert↗