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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Design of Defensive Cybersecurity Architectures for Sodium-Cooled Fast Reactors

This report presents the design of defensive cybersecurity architectures (DCSAs) for Sodium-Cooled Fast Reactors (SFRs). A DCSA is a cybersecurity design feature that places systems into security zones in a graded approach according to the importance of the functions performed by the systems. DCSA design efforts for advanced reactors may commence as early as the system-level design phase. This design approach is consistent with the draft regulatory guide for advanced reactor cybersecurity programs (DG-5075) and enables advanced reactor designers to consider the effects of security-by design (SeBD) features on their DCSAs. Integration of DCSA design and other cybersecurity activities with the traditional design process as part of a SeBD framework may enable advanced reactor designers to improve the security posture of their plants while reducing implementation and operating costs. This report provides a DCSA template for an exemplar SFR and how the template may be optimized for a given SFR design.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

Passive Confirmation of the Presence Of High-Explosive Material Via Neutron Transmission Spectroscopy

The goal of this project was to explore a novel approach for identifying presence and potential types of high explosives (HE) in treaty-controlled items with passive neutron sources by using passive neutron transmission spectroscopy. We predominantly look to measure relative elemental abundance of Carbon, Hydrogen, Oxygen, and Nitrogen (CHON) since most relevant materials are certain mix of these elements, as shown in Table 1. Previously, most studies exploring potential identification of CHON elemental content of targets in the vicinity of passive neutron source were focused solely on gamma spectroscopy using high resolution gamma detectors. Using neutron transmission spectroscopy with pulse-shape discrimination (PSD) capable organic scintillators is not only a novel idea in of itself, but arguably necessary for accurate identification of the CHON elemental content of an interrogated target. While high resolution gamma spectroscopy in principle can determine a presence of hydrogen and nitrogen, it is effectively blind to a quantitatively measuring areal densities of C, O. The initially proposed approach, described in detail in the project proposal, was to leverage previous Monte Carlo study on neutron transmission spectroscopy using slab shaped target interrogated with well-collimated (“pencil”) neutron beam. In this study, a simulated test CO 2 target was interrogated by a pencil neutron beam and transmitted neutron spectra were measured using PSD capable organic scintillator using MLEM based unfolding technique. To establish relative elemental content of carbon and oxygen, the unfolded neutron spectrum was fit with a parametrized combination of their respective elemental spectral templates. The individual spectral template was calculated by convoluting ENDF neutron crosssection with the known resolution of the PSD detector used in the study. This approach in the studied configuration successfully quantitatively established relative elemental composition of carbon and oxygen.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2026

Genesis Mission Data cards

As data-intensive research and artificial intelligence become central to DOE mission science, the need for machine-actionable dataset documentation has grown accordingly. However, many DOE-aligned communities, including the Office of Science, NNSA, and cross-laboratory collaborations, have developed independent metadata practices. This fragmentation creates friction for discovery, federation, and reuse across programs. To address these challenges, this talk introduces the Genesis Data Card: a shared metadata artifact developed in collaboration with a broad DOE community (Jefferson Lab and the National Lab of the Rockies, Oak Ridge, Sandia, Idaho, Berkeley, and Los Alamos). The Genesis Data Card aims to standardize dataset documentation across DOE-aligned initiatives while remaining extensible to discipline-specific needs. This talk will describe the data card template and the supporting code to validate completed data cards, using a companion LinkML schema. I'll walk through the design decisions behind the template, its alignment with existing standards, its treatment of sensitivity and governance metadata, and the phased roadmap toward lifecycle-integrated "xCards" that support autonomous discovery and reuse. The talk closes with current gaps, ongoing work, and how others can contribute datasets and feedback to the shared repository.

McSpadden, Helen [Thomas Jefferson National Accele↗
DOE OSTI2025

DataSet for Elucidating molecular level interfacial interactions between a de novo protein and nucleated calcite with solid-state NMR

Biomineralization is the process by which organisms use biomolecules to produce hierarchically structured organic-inorganic composites. Using biology as inspiration, a protein construct (FD31) was previously designed to accelerate formation of nano-calcite with an unconventional {110} face. To understand the molecular interactions essential for protein aided calcite nucleation, solid-state nuclear magnetic resonance (ssNMR) spectroscopy was used in this work to characterize the FD31-calcite interface at the atomic level. Glutamic acid side chains designed to interact directly with calcium ions on the surface were found to have dynamics on the sub-millisecond timescale, indicating possible interactions between the protein and surface waters that were not included in the original model. Dipolar ssNMR recoupling techniques also showed that the protein backbone is ~2 Å closer to the surface than in the original docking model. Refined molecular simulations were done in the presence of explicit waters, which resulted in the protein backbone closer to the surface than in the original docking structure, providing better agreement with experiment and highlighting the important role played by water in FD31-calcite interactions. These studies provide the first experimental evidence to confirm that FD31 interactions with calcite are localized to the surface of the protein designed to serve as a template. However, these studies do indicate a more dynamic binding and closer binding mode between FD31 and the nucleated surface than originally proposed. In all, this enhanced molecular insight into the FD31-calcite interface has advanced our fundamental understanding of the atomic interactions at the organic-inorganic interface and will aid in the design of biological templates for the nucleation of inorganic crystals.

Saccuzzo Close, Emily Grace [Pacific Northwest Nat↗
DOE OSTI2023

Quantitation of olefins in sustainable aviation fuel intermediates using principal component analysis coupled with vacuum ultraviolet spectroscopy

Olefins, a common intermediate from biomass conversion processes, are undesirable in jet fuel because of their poor thermal stability. This paper presents an approach for olefin quantitation using 2D gas chromatography coupled with vacuum ultraviolet spectroscopy. Principal component analysis was used to reduce the dimensionality of the spectroscopic data from a highly olefinic fuel intermediate. A principal component template was created that enabled olefin quantitation, which was compared to the existing GCxGC-VUV approach from the literature. The principal component method was able to identify and quantify trace amounts of cyclodienes, which were present at only 0.01 wt% in the fuel sample. The principal component approach also identifies species that fall outside of the GCxGC template. For instance, quantitation with the literature method resulted in an olefin concentration of 0.95 times that of the principal component method due to olefins falling outside of the expected GCxGC regions. The principal component results were compared with 13 C and 1 H NMR data, which confirmed that the fuel had a high concentration of olefins and alkanes with little aromatic content.

Kosir, Shane↗
DOE OSTI2021

Rapid Construction of an Infectious Clone of the Zika Virus, Strain ZKC2

Zika virus (ZIKV) has had detrimental effects on global public health in recent years. This is because the management of the disease has been limited, in part because its pathogenic mechanisms are not yet completely understood. Infectious clones are an important tool that utilize reverse genetics; these can be used to modify the ZIKV genomic RNA at the DNA level. A homologous recombination clone was used to construct pWSK29, a low copy plasmid that contained sequences for a T7 promoter, the whole genome of ZIKV ZKC2 strain, and a hepatitis delta virus ribozyme. High fidelity PCR was then used to amplify the T7 transcription template. The transcript was then transfected into susceptible cells via lipofection to recover the ZIKV ZKC2 strain. Finally, the virulence of rZKC2 was evaluated both in vitro and in vivo . The rZKC2 was successfully obtained and it showed the same virulence as its parent, the ZIKV ZKC2 strain (pZKC2), both in vitro and in vivo . The 3730 (NS2A-D62G) mutation site was identified as being important, since it had significant impacts on rZKC2 recovery. The 4015 (NS2A, A157V) mutation may reduce virus production by increasing the interferon type I response. In this study, one of the earliest strains of ZIKV that was imported into China was used for infectious clone construction and one possible site for antiviral medication development was discovered. The use of homologous recombination clones, of PCR products as templates for T7 transcription, and of lipofection for large RNA transfection could increase the efficiency of infectious clone construction. Our infectious clone provides an effective tool which can be used to explore the life cycle and medical treatment of ZIKV.

Qin, Zhiran↗
DOE OSTI2020

MaizeMine: A Data Mining Warehouse for the Maize Genetics and Genomics Database

MaizeMine is the data mining resource of the Maize Genetics and Genome Database (MaizeGDB; http://maizemine.maizegdb.org). It enables researchers to create and export customized annotation datasets that can be merged with their own research data for use in downstream analyses. MaizeMine uses the InterMine data warehousing system to integrate genomic sequences and gene annotations from the Zea mays B73 RefGen_v3 and B73 RefGen_v4 genome assemblies, Gene Ontology annotations, single nucleotide polymorphisms, protein annotations, homologs, pathways, and precomputed gene expression levels based on RNA-seq data from the Z. mays B73 Gene Expression Atlas. MaizeMine also provides database cross references between genes of alternative gene sets from Gramene and NCBI RefSeq. MaizeMine includes several search tools, including a keyword search, built-in template queries with intuitive search menus, and a QueryBuilder tool for creating custom queries. The Genomic Regions search tool executes queries based on lists of genome coordinates, and supports both the B73 RefGen_v3 and B73 RefGen_v4 assemblies. The List tool allows you to upload identifiers to create custom lists, perform set operations such as unions and intersections, and execute template queries with lists. When used with gene identifiers, the List tool automatically provides gene set enrichment for Gene Ontology (GO) and pathways, with a choice of statistical parameters and background gene sets. With the ability to save query outputs as lists that can be input to new queries, MaizeMine provides limitless possibilities for data integration and meta-analysis.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Effect of Polymer Removal on the Morphology and Phase of the Nanoparticles in All-Inorganic Heterostructures Synthesized via Two-Step Polymer Infiltration

Polymer templates play an essential role in the robust infiltration-based synthesis of functional multicomponent heterostructures with controlled structure, porosity, and composition. Such heterostructures are be used as hybrid organic–inorganic composites or as all-inorganic systems once the polymer templates are removed. Using iron oxide/alumina heterostructures formed by two-step infiltration of polystyrene-block-polyvinyl pyridine block copolymer with iron and aluminum precursors from the solution and vapor-phases, respectively, we show that the phase and morphology of iron oxide nanoparticles dramatically depend on the approach used to remove the polymer. We demonstrate that thermal and plasma oxidative treatments result in iron oxide nanoparticles with either solid or hollow morphologies, respectively, that lead to different magnetic properties of the resulting materials. Our study extends the boundaries of structure manipulations in multicomponent heterostructures synthesized using polymer infiltration synthesis, and hence their properties.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

In Situ Ultra-Small- and Small-Angle X-ray Scattering Study of ZnO Nanoparticle Formation and Growth through Chemical Bath Deposition in the Presence of Polyvinylpyrrolidone

ZnO inverse opals combine the outstanding properties of the semiconductor ZnO with the high surface area of the open-porous framework, making them valuable photonic and catalysis support materials. One route to produce inverse opals is to mineralize the voids of close-packed polymer nanoparticle templates by chemical bath deposition (CBD) using a ZnO precursor solution, followed by template removal. To ensure synthesis control, the formation and growth of ZnO nanoparticles in a precursor solution containing the organic additive polyvinylpyrrolidone (PVP) was investigated by in situ ultra-small- and small-angle X-ray scattering (USAXS/SAXS). Before that, we studied the precursor solution by in-house SAXS at T = 25 °C, revealing the presence of a PVP network with semiflexible chain behavior. Heating the precursor solution to 58 °C or 63 °C initiates the formation of small ZnO nanoparticles that cluster together, as shown by complementary transmission electron microscopy images (TEM) taken after synthesis. The underlying kinetics of this process could be deciphered by quantitatively analyzing the USAXS/SAXS data considering the scattering contributions of particles, clusters, and the PVP network. A nearly quantitative description of both the nucleation and growth period could be achieved using the two-step Finke–Watzky model with slow, continuous nucleation followed by autocatalytic growth.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A Significant Increase in Detection of High-resolution Emission Spectra Using a Three-dimensional Atmospheric Model of a Hot Jupiter

High-resolution spectroscopy has opened the way for new, detailed study of exoplanet atmospheres. There is evidence that this technique can be sensitive to the complex, three-dimensional (3D) atmospheric structure of these planets. In this work, we perform cross-correlation analysis of high-resolution (R ∼ 100,000) CRIRES/VLT emission spectra of the hot Jupiter HD 209458b. We generate template emission spectra from a 3D atmospheric circulation model of the planet, accounting for temperature structure and atmospheric motions—winds and planetary rotation—missed by spectra calculated from one-dimensional models. In this first-of-its-kind analysis, we find that using template spectra generated from a 3D model produces a more significant detection (6.9σ) of the planet’s signal than any of the hundreds of one-dimensional models we tested (maximum of 5.1σ). We recover the planet’s thermal emission, its orbital motion, and the presence of CO in its atmosphere at high significance. Additionally, we analyzed the relative influences of 3D temperature and chemical structures in this improved detection, including the contributions from CO and H{sub 2}O, as well as the role of atmospheric Doppler signatures from winds and rotation. This work shows that the hot Jupiter’s 3D atmospheric structure has a first-order influence on its emission spectra at high resolution and motivates the use of multidimensional atmospheric models in high-resolution spectral analysis.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Bump Morphology of the CMAGIC Diagram

Abstract We apply the color–magnitude intercept calibration method (CMAGIC) to the Nearby Supernova Factory SNe Ia spectrophotometric data set. The currently existing CMAGIC parameters are the slope and intercept of a straight line fit to the linear region in the color–magnitude diagram, which occurs over a span of approximately 30 days after maximum brightness. We define a new parameter, ω XY , the size of the “bump” feature near maximum brightness for arbitrary filters X and Y . We find a significant correlation between the slope of the linear region, β XY , in the CMAGIC diagram and ω XY . These results may be used to our advantage, as they are less affected by extinction than parameters defined as a function of time. Additionally, ω XY is computed independently of templates. We find that current empirical templates are successful at reproducing the features described in this work, particularly SALT3, which correctly exhibits the negative correlation between slope and “bump” size seen in our data. In 1D simulations, we show that the correlation between the size of the “bump” feature and β XY can be understood as a result of chemical mixing due to large-scale Rayleigh–Taylor instabilities.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Magnetic Misalignment of Interstellar Dust Filaments

We present evidence for scale-independent misalignment of interstellar dust filaments and magnetic fields. We estimate the misalignment by comparing millimeter-wave dust-polarization measurements from Planck with filamentary structures identified in neutral-hydrogen (H I ) measurements from H I 4PI. We find that the misalignment angle displays a scale independence (harmonic coherence) for features larger than the H I 4PI beamwidth (16$\acute{.}$2). We additionally find a spatial coherence on angular scales of ${ \mathcal O }(1^\circ )$. We present several misalignment estimators formed from the auto- and cross-spectra of dust-polarization and H I -based maps, and we also introduce a map-space estimator. Applied to large regions of the high-Galactic-latitude sky, we find a global misalignment angle of ~2°, which is robust to a variety of masking choices. By dividing the sky into small regions, we show that the misalignment angle correlates with the parity-violating TB cross-spectrum measured in the Planck dust maps. The misalignment paradigm also predicts a dust EB signal, which is of relevance in the search for cosmic birefringence but as yet undetected; the measurements of EB are noisier than those of TB, and our correlations of EB with misalignment angle are found to be weaker and less robust to masking choices. We also introduce an H I -based dust-polarization template constructed from the Hessian matrix of the H I intensity, which is found to correlate more strongly than previous templates with Planck dust B modes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Filamentary Dust Polarization and the Morphology of Neutral Hydrogen Structures

Filamentary structures in neutral hydrogen (H$\tiny{I}$) emission are well aligned with the interstellar magnetic field, so H$\tiny{I}$ emission morphology can be used to construct templates that strongly correlate with measurements of polarized thermal dust emission. We explore how the quantification of filament morphology affects this correlation. We introduce a new implementation of the Rolling Hough Transform (RHT) using spherical harmonic convolutions, which enables efficient quantification of filamentary structure on the sphere. We use this Spherical RHT algorithm along with a Hessian-based method to construct H$\tiny{I}$-based polarization templates. We discuss improvements to each algorithm relative to similar implementations in the literature and compare their outputs. By exploring the parameter space of filament morphologies with the Spherical RHT, we find that the most informative H$\tiny{I}$ structures for modeling the magnetic field structure are the thinnest resolved filaments. For this reason, we find a ~10% enhancement in the B-mode correlation with polarized dust emission with higher-resolution H$\tiny{I}$ observations. We demonstrate that certain interstellar morphologies can produce parity-violating signatures, i.e., nonzero TB and EB, even under the assumption that filaments are locally aligned with the magnetic field. Finally, we demonstrate that B modes from interstellar dust filaments are mostly affected by the topology of the filaments with respect to one another and their relative polarized intensities, whereas E modes are mostly sensitive to the shapes of individual filaments.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

DMTN-107: Options for Alert Production in LSST Operations Year 1

This document reviews five options for alert production in LSST Operations Year 1 (LOY1), taking into account any implications on LSST formal requirements including up-scopes, down-scopes or explicit violations. The Data Management System Science Team's preferred option for maximizing LSST science is to generate template images from as much of the data from the commissioning and/or science verification phases as possible and use them to run Difference Image Analysis and alert production during LOY1. A proposal to increase the sky area covered during commissioning via a "filler" scheduler program is also presented. As a potential moderate up-scope, this study presents an option to build interim templates on a $\sim$monthly basis during LOY1, which could increase the accessible sky area by ~1000-2000 deg**2 per month, and should be reconsidered closer to the start of Operations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Method for electrochemical roughening of thin film electrodes

The present invention relates to surface roughening methods and more particularly to a method for electrochemical roughening of thin film macro- and micro-electrodes. In one embodiment, an electrochemical etch template is formed comprising polymer particles adsorbed on a surface of a substrate to be roughened, followed by electrochemically etching of exposed regions of the substrate between the polymer particles in the electrochemical etch template so as to selectively roughen the surface of the substrate. In another embodiment, a surface of the electrode is immersed in either a adsorbing acidic solution, such as sulfuric acid, or a non-adsorbing acidic solution, such as perchloric acid, followed by electrochemically pulse etching the surface of the substrate at a narrow frequency range for adsorbing acidic solutions, or at a wide frequency range for non-adsorbing acidic solutions.

36 MATERIALS SCIENCE↗
DOE OSTI2021

ESPC ESA Webinar Series: ESPC ENABLE Contract Vehicle Overview

This webinar provides instructions and resources for financing distributed energy projects (e.g. on-site renewable energy, storage, and combined heat and power) using an energy savings performance contract (ESPC) energy sales agreement (ESA) through the U.S. Department of Energy's (DOE) ESPC ENABLE contract vehicle. The ESPC ENABLE contract vehicle is a streamlined procurement process that uses a standard investment grade audit tool and standard contract templates. Topics covered in the webinar include: An overview of the ESPC ENABLE contract vehicle; ESA-specific considerations for ENABLE contracts; and Case studies. This webinar also provides an overview of the resources available on the Federal Energy Management Program website, such as ESPC ENABLE templates. This webinar is the fourth of a series that provides information, best practices, and resources for implementing an ESPC ESA project. ESPC ESAs are a great option for federal sites that are motivated to reduce site costs, have no capital investment funding, and cannot use the U.S. Department of Defense 10 USC 2922a authority for long-term contracting.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Core-collapse contamination in photometric samples of Type Ia Supernovae

This is an exciting time for cosmology with type Ia supernovae (SNe Ia). The recentlyconcluded Dark Energy Survey SN programme (DES-SN) has obtained the largest anddeepest high-redshift cosmological SN Ia sample, and the Vera Rubin Observatory isexpected to observe at least one order of magnitude more SNe Ia in the next decade.In both these experiments, only a limited fraction (.10 per cent) of the SNe can bespectroscopically classified. This leaves us with large ‘photometric’ SN samples, withthe potential for significant contamination by core-collapse SNe that may bias SN Iacosmological measurements. This thesis demonstrates how this contamination can bemodelled and accounted for in current and future cosmological analyses.First, I present state-of-the-art simulations of the SN universe. These are designedto accurately model the population of SNe Ia, peculiar SNe Ia and core-collapse SNe, aswell as their host galaxies. To improve the diversity and quality of the simulated corecollapseSNe, I build a new library of core-collapse SN templates using spectroscopicand photometric (optical and near-ultraviolet) data of 67 core-collapse SNe from theliterature. I account for our incomplete knowledge of core-collapse SN properties bygenerating a set of SN simulations (rather than a single one), each exploring differentmodelling choices and template libraries. I then characterise selection effects in theDES-SN survey and incorporate them in the simulations, thus obtaining a series ofDES-like simulated SN samples that can be compared to the observed DES-SN data.The agreement between the simulations and data is excellent across many observed SNproperties, including Hubble residuals. These simulations are the first to reproduce theobserved photometric SN and host galaxy properties in high-redshift surveys with no fine-tuning of the input parameters.I use my simulation framework to train and test the performance of SuperNNova,a photometric SN classifier based on recurrent neural networks. I explore differenttraining and validation strategies and show that, across all the DES-SN simulationstested, SuperNNova reduces core-collapse SN contamination to 0.8–3.5 per cent. Ithen show that biases due to contamination on the equation-of-state of dark energy,w, are < 0:008 when using our reference SuperNNova model. This compares to anexpected statistical uncertainty on w from the DES-SN sample of 0:039, thus showing that contamination is not a limiting systematic for the cosmological analysis of theDES-SN sample.The results presented in this thesis are the foundation of the DES SN Ia cosmologicalanalysis; they also provide important implications for the future of SN cosmology,as they demonstrate that contamination is not expected to significantly degrade thecosmological figure of merit of the Rubin SN Ia analysis.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Automated gauge reading and related systems, methods, and devices

Computing devices and methods for reading gauges are disclosed. A gauge reading method includes capturing image data corresponding to a captured image of one or more gauges, detecting one or more gauges in the captured image, cropping a detected gauge in the captured image to provide a use image including the detected gauge, and classifying the detected gauge to correlate the detected gauge with a template image. The gauge reading method also includes attempting to perform feature detection rectification on the use image to produce a rectified image of the detected gauge, performing template matching rectification on the use image to produce the rectified image responsive to a failure to perform the feature detection rectification, and estimating a gauge reading responsive to the rectified image. A computing device may implement at least a portion of a gauge reading method.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗