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At least 397 records · Page 22

All sources NASA NTRS DOE OSTI

DOE OSTI2020

Key Nuclear Data Impacting Reactivity in Advanced Reactors

Advanced reactor concepts currently being developed throughout the industry are significantly different from light water reactor (LWR) designs with respect to geometry, materials, and operating conditions, and consequently, with respect to their reactor physics behavior. Given the limited operating experience with non-LWRs, the accurate simulation of reactor physics and the quantification of associated uncertainties are critical for ensuring that advanced reactor concepts operate within the appropriate safety margins. Nuclear data are a major source of input uncertainties in reactor physics analysis. As part of an ongoing project at Oak Ridge National Laboratory (ORNL), the effects of nuclear data uncertainties on key figures of merit associated with advanced reactor safety are being assessed for selected advanced reactor technologies. Key nuclear data relevant for reactor safety analysis for each selected advanced reactor technology were identified, and their impact on important key figures of merit was assessed. Available advanced reactor specifications were reviewed, results from studies performed at ORNL and other research institutions were consulted, and available evaluated nuclear data libraries were analyzed. This report summarizes the key nuclear data for nuclides in the fuel, as well as other significant data, including scattering and neutron capture in various materials for the moderator, coolant, and structure of the considered advanced reactors. For the considered advanced reactors that use low-enriched uranium (LEU) fuel, results from LWR studies provided insight into relevant nuclear data given the lack of available studies specifically addressing these new systems. The major nominal missing data that were identified consist of thermal scattering data and 135m Xe cross section data for molten salt reactor (MSR) analysis. The identified major gaps with respect to nuclear data uncertainties are missing uncertainties of thermal scattering data for high temperature gas-cooled reactors and moderated MSR systems, and incomplete uncertainties on angular distributions in particular for fast spectrum systems, such as sodiumcooled fast reactors, fast molten salt reactors, and heat pipe reactors. Furthermore, it was found that special attention should be paid to cross section and uncertainty differences between different evaluated nuclear data library releases, because significant differences in nuclear data that can lead to major differences in reactivity calculations were found, even for well-known nuclides.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2026

RCSB protein data Bank: Next‐generation advanced search for exploration of experimental structures and computed structure models

Abstract The Protein Data Bank (PDB), established in 1971, is the primary global, open‐access archive for experimentally determined 3D macromolecular structures (proteins, RNA, DNA). The research‐focused RCSB.org web‐portal provides access to these data alongside more than one million machine‐learning‐predicted structure models, greatly expanding the available structural landscape. Rapid growth of both experimental and computational structures has increased the need for powerful yet accessible search tools that serve a broad and diverse scientific community. Herein, we describe a redesigned RCSB Protein Data Bank RCSB.org Advanced Search capability that supports intuitive discovery of 3D structures through a unified interface. This interface integrates annotation‐, sequence‐, and 3D structure‐based searches, embeds an interactive 3D viewer, and incorporates curated biological knowledge, such as catalytic site definitions from Mechanism and Catalytic Site Atlas and ligand‐guided structural motifs, for constructing geometry‐driven queries. A new Chemical Search tool allows definition of chemical queries via an integrated drawing tool or standard identifiers, seamlessly combining them with annotation filters. By allowing query definition directly within spatial and chemical contexts, these search interfaces reduce the need for detailed knowledge of residue numbering, chain identifiers, or external cheminformatics software. This capability enables efficient exploration of structures, chemical diversity, and structure–function relationships across all life domains. The redesigned interfaces can be accessed directly at rcsb.org/search/advanced for Advanced Search and rcsb.org/search/chemical for Chemical Search.

Rose, Yana [Research Collaboratory for Structural ↗

NASA NTRS1984

Estimation of electric fields and current from ground-based magnetometer data

Recent advances in numerical algorithms for estimating ionospheric electric fields and currents from groundbased magnetometer data are reviewed and evaluated. Tests of the adequacy of one such algorithm in reproducing large-scale patterns of electrodynamic parameters in the high-latitude ionosphere have yielded generally positive results, at least for some simple cases. Some encouraging advances in producing realistic conductivity models, which are a critical input, are pointed out. When the algorithms are applied to extensive data sets, such as the ones from meridian chain magnetometer networks during the IMS, together with refined conductivity models, unique information on instantaneous electric field and current patterns can be obtained. Examples of electric potentials, ionospheric currents, field-aligned currents, and Joule heating distributions derived from ground magnetic data are presented. Possible directions for future improvements are also pointed out.

Kamide, Y.↗

NASA NTRS1977

Parametric design of ground data processing/support systems for advanced sensor systems

A parametric system design technique has been applied to ground data processing/support systems for advanced sensor applications. The system establishes a direct link between budget analysts and system planners. Three primary phases are identified: the definition of requirements, system design, and system costing. The system is evaluated for three cases: (1) a study of ground data handling systems for earth resource satellites, (2) a ground data mass storage and processing system for agricultural remote-sensing studies, and (3) a parametric study of shuttle era data processing support required for atmospheric and space physics.

Denny, C.↗

NASA NTRS2017

Advancing Supersonic Retropropulsion Using Mars-Relevant Flight Data: An Overview

Advanced robotic and human missions to Mars require landed masses well in excess of current capabilities. One approach to safely land these large payloads on the Martian surface is to extend the propulsive capability currently required during subsonic descent to supersonic initiation velocities. However, until recently, no rocket engine had ever been fired into an opposing supersonic freestream. In September 2013, SpaceX performed the first supersonic retropropulsion (SRP) maneuver to decelerate the entry of the first stage of their Falcon 9 rocket. Since that flight, SpaceX has continued to perform SRP for the reentry of their vehicle first stage, having completed multiple SRP events in Mars-relevant conditions in July 2017. In FY 2014, NASA and SpaceX formed a three-year public-private partnership centered upon SRP data analysis. These activities focused on flight reconstruction, CFD analysis, a visual and infrared imagery campaign, and Mars EDL design analysis. This paper provides an overview of these activities undertaken to advance the technology readiness of Mars SRP.

Braun, Robert D.↗

NASA NTRS2017

Advancing Supersonic Retropropulsion Using Mars-Relevant Flight Data: An Overview

Braun, Robert D.↗

DOE OSTI2021

Data Reduction for Science: Brochure from the Advanced Scientific Computing Research Workshop

Data reduction for science holds promise for addressing the challenges of moving, storing, and processing massive data sets produced by the scientific community. Pursuing the PRDs outlined here will enable advances in data streaming, fast feedback and/or autonomous control of experiments, and faster time to scientific insight. These advances will result in a significant improvement in the ability to transport, store, process and interpret experimental, observational, and computational data.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Exploiting Colorimetry for Fidelity in Data Visualization

Advances in multimodal characterization methods fuel the generation of increasing immense hyper-dimensional data sets. Color mapping is employed for conveying higher dimensional data in two-dimensional (2D) representations for human consumption without relying on multiple projections. How one constructs these color maps, however, critically affects how accurately one perceives data. For simple scalar fields, perceptually uniform color maps and color selection have been shown to improve data readability and interpretation across research fields. In this work, we review core concepts underlying the design of perceptually uniform color maps and extend the concepts from scalar fields to two-dimensional vector fields and three-component composition fields frequently found in materials-chemistry research to enable high-fidelity visualization. Additionally, we develop the software tools PAPUC and CMPUC to enable researchers to utilize these colorimetry principles and employ perceptually uniform color spaces for rigorously meaningful color mapping of higher dimensional data representations. Last, we demonstrate how these approaches deliver immediate improvements in data readability and interpretation in microscopies and spectroscopies routinely used in discerning materials structure, chemistry, and properties.

36 MATERIALS SCIENCE↗

NASA NTRS1985

The effects of sensor advancements on Thematic Mapper data classification

Analyses of Landsat Thematic Mapper (TM) data were conducted to assess the effects of sensor advancements on the thematic classification of remote sensing data. The effects of altering three sensor characteristics (spatial resolution, data quantization, and spectral band configuration) from Landsat Multispectral Scanner (MSS) specifications were investigated using analysis-of-variance (ANOVA). Analyses were conducted on data from two TM scenes: Washington, D.C. (late autumn) and western Pennsylvania (late summer). Results indicate that the contribution of sensor advancements to thematic classification are highly dependent of spectral and spatial scene attributes.

Irons, J. R.↗

DOE OSTI2025

Data-Enabled Fusion Technology (Final Scientific/Technical Report)

Advancing Scientific Understanding in Fusion Energy and Machine Learning This research represented a significant step forward in machine learning (ML) applications for fusion energy experiments. The project integrated advanced data-driven modeling, optimization techniques, and artificial intelligence to enhance the predictive capabilities and operational efficiency of plasma-based fusion systems. Specifically, tasks focused on ML-enhanced diagnostics, operator guidance tools, and predictive modeling helped improve the ability to interpret complex fusion experiments. Key areas of advancement included: 1) data-driven plasma control, i.e., using ML algorithms to optimize experimental conditions and classify plasma behaviors based on historical data; 2) spectroscopy and diagnostics, i.e., applying AI models to extract previously inaccessible insights from experimental spectroscopy data; and 3) configuration mapping and operator guidance, i.e., developing a predictive framework to assist scientists in identifying the most effective experimental parameters, reducing reliance on manual adjustments. By refining these ML-driven techniques, the project contributed to the broader scientific community’s understanding of plasma dynamics and fusion energy viability. Technical Effectiveness and Economic Feasibility The methods investigated demonstrated high technical effectiveness, as reflected in milestones assessing the predictive accuracy, performance, and optimization of fusion configurations. The development of an Operator Guidance Tool (OGT), for example, led to more precise control of plasma conditions by learning from experimental data and offering real-time adjustments. From an economic standpoint, DeFT provided: 1) the ability to reduce trial-and-error experimentation, which lowered operational costs; 2) improved data interpretation methods, which enabled more efficient resource allocation in large-scale fusion research projects; and 3) the automation of key diagnostic tasks, which reduced manual labor and human error, increasing overall efficiency. 13 The final assessments of predictive models and optimization strategies demonstrated that these approaches were scalable and could be implemented across multiple fusion energy research programs. Public Benefit and Societal Impact This project contributed directly to the broader goal of achieving sustainable and commercially viable fusion energy, which had profound implications for clean energy production and climate change mitigation. The integration of AI-driven solutions into fusion research: 1) sped up scientific discovery, accelerating progress towards achieving energy breakthroughs; 2) reduced the cost of experimentation, making fusion research more accessible; and 3) provided a framework for future AI applications in high-energy physics, benefiting adjacent fields like space exploration, material science, and renewable energy. Additionally, by fostering collaborations between AI researchers and plasma physicists, this project promoted interdisciplinary innovation that could lead to broader applications beyond fusion research.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

Advanced Reactor Operating Experience Data Analysis to Support Risk Estimation: Challenges, Current Practice, and Needs

Presentation slides for Nuclear Regulatory Commission Public Meeting on July 18th about advanced nuclear reactor risk metrics and data needs to support risk estimation.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2026

Jupyter Notebook Code for “Data-Driven Insights to Accelerate Advanced Biomanufacturing”

This page contains the datasets and code #O5097 Jupyter Notebook Code for “Data-Driven Insights to Accelerate Advanced Biomanufacturing”. Data literature-derived cultivation experiments for polyhydroxybutyrate (PHB) production in Synechocystis sp. PCC 6803 and were used for ML model development, interpretation, and experimental validation.

Lalonde, Jessica N. [Los Alamos National Laborator↗

NASA NTRSDate not supplied

NASA and Advanced Air Mobility (AAM) National Campaign (NC) Tech Talk: Integrated Data Product

NASA Advanced Air Mobility (AAM) National Campaign has hosted multiple flight tests in a effort to promote public confidence and accelerate the realization of emerging aviation markets for passenger and cargo transportation in urban, suburban, rural, and regional environments. The goals and objectives for each flight test are intended to assess the performance of the vehicle’s capacity to operate safely, efficiently, and sustainably in urban areas. The Airspace Test and Infrastructure (ATI) team processes the flight data to evaluate the effectiveness of air vehicle and airspace management integration, while its analysis capabilities support the assessment of the efficacy of proposed vehicles and ground systems required to enable the vehicles’ operations. The ATI data services team creates many products from the data, first by transforming and merging the data into a single Integrated Data Product (IDP). This aligns data from many sources by time, so that, for example, the winds that impacted a flight can be aligned with its ground track and speed. A detailed IDP enables many types of statistical computation and visualizations that help researchers understand what transpired during the flight and how it can be explained. This Tech Talk will give an overview of the IDP process, including examples of the resulting products created by the data services team. It will also share an application that will allow participants to perform their own data analysis.

National Campaign, Advanced Air Mobility, Integrat↗

NASA NTRS2013

Approach to Integrate Global-Sun Models of Magnetic Flux Emergence and Transport for Space Weather Studies

The Sun lies at the center of space weather and is the source of its variability. The primary input to coronal and solar wind models is the activity of the magnetic field in the solar photosphere. Recent advancements in solar observations and numerical simulations provide a basis for developing physics-based models for the dynamics of the magnetic field from the deep convection zone of the Sun to the corona with the goal of providing robust near real-time boundary conditions at the base of space weather forecast models. The goal is to develop new strategic capabilities that enable characterization and prediction of the magnetic field structure and flow dynamics of the Sun by assimilating data from helioseismology and magnetic field observations into physics-based realistic magnetohydrodynamics (MHD) simulations. The integration of first-principle modeling of solar magnetism and flow dynamics with real-time observational data via advanced data assimilation methods is a new, transformative step in space weather research and prediction. This approach will substantially enhance an existing model of magnetic flux distribution and transport developed by the Air Force Research Lab. The development plan is to use the Space Weather Modeling Framework (SWMF) to develop Coupled Models for Emerging flux Simulations (CMES) that couples three existing models: (1) an MHD formulation with the anelastic approximation to simulate the deep convection zone (FSAM code), (2) an MHD formulation with full compressible Navier-Stokes equations and a detailed description of radiative transfer and thermodynamics to simulate near-surface convection and the photosphere (Stagger code), and (3) an MHD formulation with full, compressible Navier-Stokes equations and an approximate description of radiative transfer and heating to simulate the corona (Module in BATS-R-US). CMES will enable simulations of the emergence of magnetic structures from the deep convection zone to the corona. Finally, a plan will be summarized on the development of a Flux Emergence Prediction Tool (FEPT) in which helioseismology-derived data and vector magnetic maps are assimilated into CMES that couples the dynamics of magnetic flux from the deep interior to the corona.

Mansour, Nagi N.↗

DOE OSTI2022

Data-driven linear time advance operators for the acceleration of plasma physics simulation

In this study, we demonstrate the application of data-driven linear operator construction for time advance with a goal of accelerating plasma physics simulation. We apply dynamic mode decomposition (DMD) to data produced by the nonlinear SOLPS-ITER (Scrape-off Layer Plasma Simulator - International Thermonuclear Experimental Reactor) plasma boundary code suite in order to estimate a series of linear operators and monitor their predictive accuracy via online error analysis. We find that this approach defines when these dynamics can be represented by a sequence of approximate linear operators and is essential for providing consistent projections when compared to an unconstrained application. For linear diffusion and advection–diffusion fluid test problems, we construct and apply operators within explicit and implicit time advance schemes, demonstrating that stability can be robustly guaranteed in each case. We further investigate the use of the linear time advance operators within several integration methods including forward Euler, backward Euler, and the matrix exponential. The application of this method to simulation data from SOLPS-ITER, with varying levels of Markov chain Monte Carlo numerical noise, shows that constrained DMD operators yield a capability to identify, extract, and integrate a (slow) subset of the present timescales. Example applications show that for projected speedup factors of [Formula: see text], and [Formula: see text], a mean relative error of 3%, 5%, and 8% and maximum relative error less than 20% are achievable, which appears acceptable for typical SOLPS-ITER steady-state simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Biases in genome reconstruction from metagenomic data

Background Advances in sequencing, assembly, and assortment of contigs into species-specific bins has enabled the reconstruction of genomes from metagenomic data (MAGs). Though a powerful technique, it is difficult to determine whether assembly and binning techniques are accurate when applied to environmental metagenomes due to a lack of complete reference genome sequences against which to check the resulting MAGs. Methods We compared MAGs derived from an enrichment culture containing ~20 organisms to complete genome sequences of 10 organisms isolated from the enrichment culture. Factors commonly considered in binning software—nucleotide composition and sequence repetitiveness—were calculated for both the correctly binned and not-binned regions. This direct comparison revealed biases in sequence characteristics and gene content in the not-binned regions. Additionally, the composition of three public data sets representing MAGs reconstructed from the Tara Oceans metagenomic data was compared to a set of representative genomes available through NCBI RefSeq to verify that the biases identified were observable in more complex data sets and using three contemporary binning software packages. Results Repeat sequences were frequently not binned in the genome reconstruction processes, as were sequence regions with variant nucleotide composition. Genes encoded on the not-binned regions were strongly biased towards ribosomal RNAs, transfer RNAs, mobile element functions and genes of unknown function. Our results support genome reconstruction as a robust process and suggest that reconstructions determined to be >90% complete are likely to effectively represent organismal function; however, population-level genotypic heterogeneity in natural populations, such as uneven distribution of plasmids, can lead to incorrect inferences.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Advanced Modeling and Simulation Methods for Evaluation of Thermal Neutron Scattering Materials

With the rise of interest in thermal neutron scattering data for advanced reactor, criticality safety, and shielding applications, new experimental data are required for evaluation of new materials or for re-evaluation (or validations) of previously evaluated materials. New experimental data are evaluated in a three-step process: (1) computing the phonon characteristics, (2) computing the dynamic structure factor (DSF) from the data, and (3) using the experimental setup to simulate the experimental data. All three steps have challenges, ranging from the need for a sufficiently general material simulation code—a processing code that can compute the corresponding DSF—to having a detailed layout of the instrument/beamline/facility where the data were measured. Whereas phonon characteristics of materials can be computed using various methods (molecular dynamics, density functional theory, etc.), a high-fidelity computation of the DSF and the simulation of the experiment based on the DSF is vital to the accuracy of the evaluation. The latter two steps can be achieved by using the two corresponding code systems developed by instrument scientists at the Spallation Neutron Source (SNS) at Oak Ridge National Laboratory: (1) OCLIMAX, a program that calculates the dynamic structure factor from DFT and MD simulation results, and (2) MCViNE, a Monte Carlo neutron ray-tracing program designed to simulate neutron scattering experiments. Recently, polyethylene and yttrium hydride were measured at the Wide Angular-Range Chopper (ARCS) and SEQUOIA instrument stations of the SNS. These experiments are simulated using the density functional theory code, the Cambridge Serial Total Energy Package (CASTEP), to compute its phonon characteristics (eigenvalues/vectors and PDOS), which is then processed using OCLIMAX to yield the DSF, and finally the data at each instrument station are simulated by the MCViNE for comparison to the measured data for evaluation. For comparison to conventional evaluation methods, the scattering data processed from OCLIMAX are compared against those processed from the LEAPR module of NJOY, and the results from MCViNE simulations are compared against previously used simplified beamline models implemented in the Monte Carlo N-Particle (MCNP) code.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

mzPeak: Designing a Scalable, Interoperable, and Future-Ready Mass Spectrometry Data Format

Advances in mass spectrometry (MS) instrumentation, such as higher resolution, faster scan speeds, and improved sensitivity, have significantly increased the volume and complexity of data. The growing adoption of imaging and ion mobility further amplifies these challenges across MS-based omics fields, including proteomics, metabolomics, and lipidomics. While these technologies unlock new possibilities, they also present significant challenges in data management, storage, and accessibility. Existing open formats, such as the XML-based community standards mzML and imzML, struggle to meet the demands of modern MS workflows due to their large file sizes, slow data access, and limited metadata support. Vendor-specific formats, while optimized for proprietary instruments, lack interoperability, comprehensive metadata support and long-term archival reliability. This white paper lays the groundwork for mzPeak, a next-generation community data format designed to address these challenges and support high-throughput, multi-dimensional MS workflows. By adopting a hybrid model that combines efficient binary storage for numerical data and both human and machine-readable metadata storage, mzPeak will reduce file sizes, accelerate data access, and offer a scalable, adaptable solution for evolving MS technologies. For researchers, mzPeak will enable enhanced interoperability across platforms, seamless support for complex workflows including ion mobility and MS imaging, and faster data access compared to existing community formats such as mzML. Its design will ensure data is managed in compliance with regulatory standards, essential for applications such as precision medicine and chemical safety, where long-term data integrity and accessibility are critical. For vendors, mzPeak provides a streamlined, open alternative to proprietary formats, reducing the burden of regulatory compliance while aligning with the industry's push for transparency and standardization. By offering a high-performance, interoperable solution, mzPeak positions vendors to meet customer demands for sustainable data management tools which will be able to handle emerging and future data types and workflows. mzPeak aspires to become the cornerstone of MS data management, empowering researchers, vendors, and developers to innovate and collaborate more effectively.

data formats↗