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DOE OSTI2025

The Advanced Dimensional Depletion for Engineering of Reactors (ADDER) Software for Depletion and Fuel Management

The Advanced Dimensional Depletion for Engineering of Reactors (ADDER) software is being developed in the Research and Test Reactor (RTR) Program at Argonne National Laboratory to meet the reactor design and analysis needs of the Conversion Program. ADDER is a flexible tool that (1) provides a depletion capability through coupling external neutronics codes with a built-in CRAM solver or external depletion code and (2) provides a user-friendly interface to perform fuel management and criticality search operations. The ADDER software is a Python 3 application written using modern software development practices subject to a compliant implementation of NQA-1 and applicable Department of Energy software quality assurance standards. This report is the user guide for the software release referred to as ADDER v1.1.0. The motivation for a software to have flexible capabilities that ADDER possesses is the need to support a wide variety of geometries that are commonly required in analysis of research and test reactors. These reactors can have complex fuel, experiment, or control material shuffling patterns that persist over several years with many fuel management and partial refueling intervals. The scale of fuel management analysis can require tracking of an inventory that is multiple times the core loading. Many reactors, both power and non-power reactors of various types, will find the features of ADDER useful to facilitate key tasks that a fuel or core design engineer must perform with the convenience of concise input and validated functionality.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

The Advanced Dimensional Depletion for Engineering of Reactors (ADDER) Software for Depletion and Fuel Management

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2021

Stability of the peroxide group in BaO 2 under high pressure

Alkaline earth metal peroxides are typical examples of ionic compounds containing polyanions. We herein report a stable BaO 2 phase at high pressure up to 130 GPa found via a first-principles computational structure searches and high-pressure experimental investigations. The identified monoclinic structure (space group C2/m) can be derived by sublattice distortions of Ba atoms and peroxide groups associated with the phonon mode softening of the lower-pressure Cmmm structure. Contrary to the previous expectation of polymerization of the peroxide group at elevated pressure, the new phase retains the peroxide group and interestingly exhibits an insulating behavior demonstrating an increase of the band gap under compression. Our synchrotron XRD measurements could not distinguish between Cmmm and C2/m BaO 2 definitively because the difference in XRD patterns is very subtle. However, our data do not show any sign of polymerization transition up to 120 GPa. Raman spectra of the O-O peroxide vibration show a small anomaly in frequency at 110 GPa, which is qualitatively similar to that predicted theoretically due to the Cmmm to C2/m phase transition thus supporting the predicted transformation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2015

Energy resolution and efficiency of phonon-mediated kinetic inductance detectors for light detection

The development of sensitive cryogenic light detectors is of primary interest for bolometric experiments searching for rare events like dark matter interactions or neutrino-less double beta decay. Thanks to their good energy resolution and the natural multiplexed read-out, Kinetic Inductance Detectors (KIDs) are particularly suitable for this purpose. To efficiently couple KIDs-based light detectors to the large crystals used by the most advanced bolometric detectors, active surfaces of several cm{sup 2} are needed. For this reason, we are developing phonon-mediated detectors. In this paper, we present the results obtained with a prototype consisting of four 40 nm thick aluminum resonators patterned on a 2 × 2 cm{sup 2} silicon chip, and calibrated with optical pulses and X-rays. The detector features a noise resolution σ{sub E} = 154 ± 7 eV and an (18 ± 2)% efficiency.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2014

The host galaxies of fast-ejecta core-collapse supernovae

Spectra of broad-lined Type Ic supernovae (SNe Ic-BL), the only kind of SN observed at the locations of long-duration gamma-ray bursts (LGRBs), exhibit wide features indicative of high ejecta velocities (∼0.1c). We study the host galaxies of a sample of 245 low-redshift (z < 0.2) core-collapse SNe, including 17 SNe Ic-BL, discovered by galaxy-untargeted searches, and 15 optically luminous and dust-obscured z < 1.2 LGRBs. We show that, in comparison with Sloan Digital Sky Survey galaxies having similar stellar masses, the hosts of low-redshift SNe Ic-BL and z < 1.2 LGRBs have high stellar mass and star formation rate densities. Core-collapse SNe having typical ejecta velocities, in contrast, show no preference for such galaxies. Moreover, we find that the hosts of SNe Ic-BL, unlike those of SNe Ib/Ic and SNe II, exhibit high gas velocity dispersions for their stellar masses. The patterns likely reflect variations among star-forming environments and suggest that LGRBs can be used as probes of conditions in high-redshift galaxies. They may be caused by efficient formation of massive binary progenitor systems in densely star-forming regions, or, less probably, a higher fraction of stars created with the initial masses required for an SN Ic-BL or LGRB. Finally, we show that the preference of SNe Ic-BL and LGRBs for galaxies with high stellar mass and star formation rate densities cannot be attributed to a preference for low metal abundances but must reflect the influence of a separate environmental factor.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1988

KAM (Knowledge Acquisition Module): A tool to simplify the knowledge acquisition process

Analysts, knowledge engineers and information specialists are faced with increasing volumes of time-sensitive data in text form, either as free text or highly structured text records. Rapid access to the relevant data in these sources is essential. However, due to the volume and organization of the contents, and limitations of human memory and association, frequently: (1) important information is not located in time; (2) reams of irrelevant data are searched; and (3) interesting or critical associations are missed due to physical or temporal gaps involved in working with large files. The Knowledge Acquisition Module (KAM) is a microcomputer-based expert system designed to assist knowledge engineers, analysts, and other specialists in extracting useful knowledge from large volumes of digitized text and text-based files. KAM formulates non-explicit, ambiguous, or vague relations, rules, and facts into a manageable and consistent formal code. A library of system rules or heuristics is maintained to control the extraction of rules, relations, assertions, and other patterns from the text. These heuristics can be added, deleted or customized by the user. The user can further control the extraction process with optional topic specifications. This allows the user to cluster extracts based on specific topics. Because KAM formalizes diverse knowledge, it can be used by a variety of expert systems and automated reasoning applications. KAM can also perform important roles in computer-assisted training and skill development. Current research efforts include the applicability of neural networks to aid in the extraction process and the conversion of these extracts into standard formats.

Gettig, Gary A.↗

DOE OSTI2017

A Work-Efficient Parallel Sparse Matrix-Sparse Vector Multiplication Algorithm

We design and develop a work-efficient multithreaded algorithm for sparse matrix-sparse vector multiplication (SpMSpV) where the matrix, the input vector, and the output vector are all sparse. SpMSpV is an important primitive in the emerging GraphBLAS standard and is the workhorse of many graph algorithms including breadth-first search, bipartite graph matching, and maximal independent set. As thread counts increase, existing multithreaded SpMSpV algorithms can spend more time accessing the sparse matrix data structure than doing arithmetic. Our shared-memory parallel SpMSpV algorithm is work efficient in the sense that its total work is proportional to the number of arithmetic operations required. The key insight is to avoid each thread individually scan the list of matrix columns. Our algorithm is simple to implement and operates on existing column-based sparse matrix formats. It performs well on diverse matrices and vectors with heterogeneous sparsity patterns. A high-performance implementation of the algorithm attains up to 15x speedup on a 24-core Intel Ivy Bridge processor and up to 49x speedup on a 64-core Intel KNL manycore processor. In contrast to implementations of existing algorithms, the performance of our algorithm is sustained on a variety of different input types include matrices representing scale-free and high-diameter graphs.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2015

Monitoring non-pseudomorphic epitaxial growth of spinel/perovskite oxide heterostructures by reflection high-energy electron diffraction

Pulsed laser deposition of spinel γ-Al{sub 2}O{sub 3} thin films on bulk perovskite SrTiO{sub 3} is monitored by high-pressure reflection high-energy electron diffraction (RHEED). The heteroepitaxial combination of two materials with different crystal structures is found to be inherently accompanied by a strong intensity modulation of bulk diffraction patterns from inelastically scattered electrons, which impedes the observation of RHEED intensity oscillations. Avoiding such electron surface-wave resonance enhancement by de-tuning the RHEED geometry allows for the separate observation of the surface-diffracted specular RHEED signal and thus the real-time monitoring of sub-unit cell two-dimensional layer-by-layer growth. Since these challenges are essentially rooted in the difference between film and substrate crystal structure, our findings are of relevance for the growth of any heterostructure combining oxides with different crystal symmetry and may thus facilitate the search for novel oxide heterointerfaces.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2020

Spatially Resolved Velocity Structures in Jets of DF Tau and UY Aur A

Young stars accrete mass and angular momentum from their circumstellar disks. Some of them also drive outflows, which can be distinguished in optical forbidden emission lines. We analyze a sample of binary T Tauri stars observed with long-slit spectroscopy by the Hubble Space Telescope between 1998 and 2000, searching for spatially resolved outflows. We detect resolved [O i] emission in 2 cases out of 21. In DF Tau we resolve high- and medium-velocity outflows in a jet and counterjet out to 60 au. The outflows are accelerated within the inner 12 au and retain a constant speed thereafter. In UY Aur, we detect a blue- and a redshifted outflow from UY Aur A, as well as a blueshifted jet from UY Aur B. All of these features have been seen in [Fe ii] with data taken 10 years apart indicating that the underlying outflow pattern is stable on these timescales.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS2009

Proceedings of the First NASA Formal Methods Symposium

Topics covered include: Model Checking - My 27-Year Quest to Overcome the State Explosion Problem; Applying Formal Methods to NASA Projects: Transition from Research to Practice; TLA+: Whence, Wherefore, and Whither; Formal Methods Applications in Air Transportation; Theorem Proving in Intel Hardware Design; Building a Formal Model of a Human-Interactive System: Insights into the Integration of Formal Methods and Human Factors Engineering; Model Checking for Autonomic Systems Specified with ASSL; A Game-Theoretic Approach to Branching Time Abstract-Check-Refine Process; Software Model Checking Without Source Code; Generalized Abstract Symbolic Summaries; A Comparative Study of Randomized Constraint Solvers for Random-Symbolic Testing; Component-Oriented Behavior Extraction for Autonomic System Design; Automated Verification of Design Patterns with LePUS3; A Module Language for Typing by Contracts; From Goal-Oriented Requirements to Event-B Specifications; Introduction of Virtualization Technology to Multi-Process Model Checking; Comparing Techniques for Certified Static Analysis; Towards a Framework for Generating Tests to Satisfy Complex Code Coverage in Java Pathfinder; jFuzz: A Concolic Whitebox Fuzzer for Java; Machine-Checkable Timed CSP; Stochastic Formal Correctness of Numerical Algorithms; Deductive Verification of Cryptographic Software; Coloured Petri Net Refinement Specification and Correctness Proof with Coq; Modeling Guidelines for Code Generation in the Railway Signaling Context; Tactical Synthesis Of Efficient Global Search Algorithms; Towards Co-Engineering Communicating Autonomous Cyber-Physical Systems; and Formal Methods for Automated Diagnosis of Autosub 6000.

Denney, Ewen↗

NASA NTRS2010

Seasonal Changes in Surface Temperatures on Titan

The surface brightness temperatures on Titan have been measured by the Composite Infrared Spectrometer (CIRS) aboard Cassini during the period spanning late northern winter through vernal equinox. CIRS observes radiance from the surface through a spectral window at 19 microns where the atmosphere has an opacity minimum [I]. CIRS is now seeing a shift in the latitudinal distribution of temperatures froth a distinctly warmer south to a more symmetrical north -south pattern, similar to that found by Voyager IRIS [2,3] at the time of the previous vernal equinox. Near the equator the temperatures remain close to the 93.7 K value found at the surface by Huygens [4]. From the equator to the poles the temperature gradients are 2-3 K. When compared with predictions froth general circulation models [5] the measured temperatures and their seasonal changes constrain the possible types of surface material. As Cassini continues through Titan's northern spring CiRS will extend its, global coverage to took for correlations between surface temperatures and albedo and to search for diurnal temperature variations

Jennings, D. E.↗

DOE OSTI2023

Optimisation of the Search for CP-symmetry Violation at the Deep Underground Neutrino Experiment

The Deep Underground Neutrino Experiment (DUNE) is a next-generation long baseline experiment, which will be situated in South Dakota. Its detectors will utilise liquid-argon time projection chamber technology, which is able to capture neutrino interactions with an incredible spatial and calorimetric resolution. With what will become the world’s most intense neutrino beam, a highly capable near detector, and four (10kt fducial mass) far detector modules, DUNE will be able to achieve an ambitious physics programme. Most notably, DUNE will determine whether charge-parity symmetry is broken in neutrino oscillations - a finding that would have significant implications for the understanding of the matter-antimatter asymmetry in our Universe.This thesis presents the optimisation of a CP-violation analysis at DUNE using thePandora pattern-recognition software. The analysis assumes a 3.5 year exposure (1.36 × 1023 protons on target) to a neutrino and an antineutrino beam (7 year total). Only the predicted data of the far detector modules is used; near detector samples are not included. The initial sensitivity to CP-violation is found to be 3.8σ+0.9σ−1.1σ in an estimate that includes oscillation parameter uncertainties, systematic uncertainties and statistical fluctuations, and assumes a normal-ordering of the neutrino mass hierarchy. The performance of the Pandora event reconstruction is linked to that of the analysis, which is found to be limited by the reconstruction of the initial track-like region of electrons and photons. The ShowerRefinement algorithm is developed in response to this and its implementation into the analysis workflow results in an improved sensitivity to CP-violation of 4.6σ+0.9σ−1.0σ. With a perfected neutrino interaction vertex placement, this is further increased to 5.1σ+1.0σ−1.1σ.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

Far-UV Fe emission as proxy of Eddington ratios

ABSTRACT The Eddington ratio is a key parameter that governs the diversity of quasar properties. It can be scaled with a strong anticorrelation between optical Fe iiopt and [O iii] emission. In search of such indicators in the far-UV band, the Hubble Space Telescope far-UV spectra of 150 low-redshift quasars are analysed in combination with their optical SDSS counterparts. The strength of Fe ii+Fe iii λ1123 emission is significantly correlated with that of Fe iiopt. A moderate correlation may also exist between Fe ii λ1071 and Fe iiopt. The finding opens the possibility that far-UV Fe ii emission may serve as a new gauge of the Eddington ratios. The high- and low-ionization lines in the far-UV band display different patterns: for the quasars with higher Eddington ratios, the low-ionization UV lines are stronger, and the high-ionization lines are broader and weaker.

Zheng, Wei↗

NASA NTRS2014

The Host Galaxies of Fast-Ejecta Core-Collapse Supernovae

Spectra of broad-lined Type Ic supernovae (SN Ic-BL), the only kind of SN observed at the locations of long-duration gamma-ray bursts (LGRBs), exhibit wide features indicative of high ejecta velocities ((is) approximately 0.1c). We study the host galaxies of a sample of 245 low-redshift (z (is) less than 0.2) core-collapse SN, including 17 SN Ic-BL, discovered by galaxy-untargeted searches, and 15 optically luminous and dust-obscured z (is) less than 1.2 LGRBs. We show that, in comparison with SDSS galaxies having similar stellar masses, the hosts of low-redshift SN Ic- BL and z (is) is less than 1.2 LGRBs have high stellar-mass and star-formation-rate densities. Core-collapse SN having typical ejecta velocities, in contrast, show no preference for such galaxies. Moreover, we find that the hosts of SN Ic-BL, unlike those of SN Ib/Ic and SN II, exhibit high gas velocity dispersions for their stellar masses. The patterns likely reflect variations among star-forming environments, and suggest that LGRBs can be used as probes of conditions in high-redshift galaxies. They may be caused by efficient formation of massive binary progenitors systems in densely star-forming regions, or, less probably, a higher fraction of stars created with the initial masses required for a SN Ic-BL or LGRB. Finally, we show that the preference of SN Ic-BL and LGRBs for galaxies with high stellar-mass and star-formation-rate densities cannot be attributed to a preference for low metal abundances but must reflect the influence of a separate environmental factor.

collapse↗

DOE OSTI2023

Conserved unique peptide patterns (CUPP) online platform 2.0: implementation of +1000 JGI fungal genomes

Carbohydrate-processing enzymes, CAZymes, are classified into families based on sequence and three-dimensional fold. Because many CAZyme families contain members of diverse molecular function (different EC-numbers), sophisticated tools are required to further delineate these enzymes. Such delineation is provided by the peptide-based clustering method CUPP, Conserved Unique Peptide Patterns. CUPP operates synergistically with the CAZy family/subfamily categorizations to allow systematic exploration of CAZymes by defining small protein groups with shared sequence motifs. The updated CUPP library contains 21,930 of such motif groups including 3,842,628 proteins. The new implementation of the CUPP-webserver, https://cupp.info/, now includes all published fungal and algal genomes from the Joint Genome Institute (JGI), genome resources MycoCosm and PhycoCosm, dynamically subdivided into motif groups of CAZymes. This allows users to browse the JGI portals for specific predicted functions or specific protein families from genome sequences. Thus, a genome can be searched for proteins having specific characteristics. All JGI proteins have a hyperlink to a summary page which links to the predicted gene splicing including which regions have RNA support. The new CUPP implementation also includes an update of the annotation algorithm that uses only a fourth of the RAM while enabling multi-threading, providing an annotation speed below 1 ms/protein.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2017

Recent publications from the Alzheimer's Disease Neuroimaging Initiative: Reviewing progress toward improved AD clinical trials

Introduction The Alzheimer's Disease Neuroimaging Initiative (ADNI) has continued development and standardization of methodologies for biomarkers and has provided an increased depth and breadth of data available to qualified researchers. This review summarizes the over 400 publications using ADNI data during 2014 and 2015. Methods We used standard searches to find publications using ADNI data. Results (1) Structural and functional changes, including subtle changes to hippocampal shape and texture, atrophy in areas outside of hippocampus, and disruption to functional networks, are detectable in presymptomatic subjects before hippocampal atrophy; (2) In subjects with abnormal β‐amyloid deposition (Aβ+), biomarkers become abnormal in the order predicted by the amyloid cascade hypothesis; (3) Cognitive decline is more closely linked to tau than Aβ deposition; (4) Cerebrovascular risk factors may interact with Aβ to increase white‐matter (WM) abnormalities which may accelerate Alzheimer's disease (AD) progression in conjunction with tau abnormalities; (5) Different patterns of atrophy are associated with impairment of memory and executive function and may underlie psychiatric symptoms; (6) Structural, functional, and metabolic network connectivities are disrupted as AD progresses. Models of prion‐like spreading of Aβ pathology along WM tracts predict known patterns of cortical Aβ deposition and declines in glucose metabolism; (7) New AD risk and protective gene loci have been identified using biologically informed approaches; (8) Cognitively normal and mild cognitive impairment (MCI) subjects are heterogeneous and include groups typified not only by “classic” AD pathology but also by normal biomarkers, accelerated decline, and suspected non‐Alzheimer's pathology; (9) Selection of subjects at risk of imminent decline on the basis of one or more pathologies improves the power of clinical trials; (10) Sensitivity of cognitive outcome measures to early changes in cognition has been improved and surrogate outcome measures using longitudinal structural magnetic resonance imaging may further reduce clinical trial cost and duration; (11) Advances in machine learning techniques such as neural networks have improved diagnostic and prognostic accuracy especially in challenges involving MCI subjects; and (12) Network connectivity measures and genetic variants show promise in multimodal classification and some classifiers using single modalities are rivaling multimodal classifiers. Discussion Taken together, these studies fundamentally deepen our understanding of AD progression and its underlying genetic basis, which in turn informs and improves clinical trial design.

Weiner, Michael W.↗

DOE OSTI2025

TropiRoot 1.0: Database of tropical root characteristics across environments

Tropical ecosystems contain the world's largest biodiversity of vascular plants. Yet, our understanding of tropical functional diversity and its contribution to global diversity patterns is constrained by data availability. This discrepancy underscores an urgent need to bridge data gaps by incorporating comprehensive tropical root data into global datasets. Here, we provide a database of tropical root characteristics. This new database, TropiRoot 1.0, will be instrumental in evaluating an array of hypotheses pertaining to root functional ecology and plant biogeography, both within the tropics and relative to other global biomes. The data compilation was conducted by the TropiRoot Initiative, in partnership with the Fine-Root Ecology Database (FRED) and the Global Root Trait (GRooT) database, Colorado State University (CSU) and the Smithsonian Tropical Research Institute (STRI). Literature search and data extraction were conducted between 2020 and 2024. Literature was identified using Web of Science, Scopus, and complemented using the expert knowledge of members of TropiRoot. To provide broad environmental and geographical distributions, literature searches included root characteristics (traits) across global change drivers, natural gradients, and from different continents. We adopted FRED standardized data columns and streamlined the format to enhance accessibility for data extraction across various user groups. This optimized framework resulted in a smaller, yet comprehensive datasheet. To make the database compatible with other global root trait initiatives, column identification was standardized following the codes provided by FRED. These efforts culminated in data extracted from 104 new sources, resulting in more than 8000 rows of data (either species or community data). Most of the data in TropiRoot 1.0 include root characteristics such as root biomass, morphology, root dynamics, mass fraction, architecture, anatomy, physiology, and root chemistry. This initiative represents a 30% increase in the currently available data for tropical roots in FRED. TropiRoot 1.0 contains root characteristics from 25 different countries, where seven are located in Asia, six in South America, five in Central America and the Caribbean, four in Africa, two in North America, and 1 in Oceania. Due to the volume of data, when ancillary data were available, including soil data, these data were either extracted and included in the database or its availability was recorded in an additional column. Multiple contributors checked the entries for outliers during the collation process to ensure data quality. For text-based observations, we examined all cells to ensure that their content relates to their specific categories. For numerical observations, we ordered each numerical value from least to greatest and plotted the values, checking apparent outliers against the data in their respective sources and correcting or removing incorrect or impossible values. Some data (soil and aboveground) have different columns for the same variable presented in different units, including originally published units, but root characteristics data had units converted to match those reported in FRED. By filling a gap from global databases, TropiRoot 1.0 expands our knowledge of otherwise so far underrepresented regions and our ability to assess global trends. This advancement can be used to improve tropical forest representation in vegetation models. The data are freely available and should be cited when used.

FRED↗

NASA NTRS2003

CIZA: The First Systematic X-Ray Search for Clusters of Galaxies Behind the Milky Way

The aim of the CIZA project (Clusters In the Zone of Avoidance) was to take the first step toward a complete X-ray census of clusters of galaxies behind the plane of the Galaxy (the absolute value of b less than or equal to 20 degrees), the historical Zone of Avoidance of optical extragalactic surveys. Finding these heavily obscured clusters in ROSAT All-Sky Survey data would allow us to: 1. Construct the first truly all-sky, statistically complete, X-ray flux limited sample of galaxy clusters; 2. Use this sample to obtain an improved measurement of the cluster dipole (both amplitude and direction); 3. Chart large-scale structure across the plane of the Milky Way as traced by galaxy clusters; 4. Identify potential massive galaxy clusters contributing to the observed large-scale flow pattern in the local universe, specifically in the region around the Great Attractor; and 5. Use least-action modelling to deduce the gravitational fields created by galaxy clusters and compare this reconstruction with the one obtained from local galaxy surveys. Our project was highly successful in demonstrating the feasibility of this undertaking and allowed substantial progress toward achieving the stated science goals.

Ebeling, Harald↗