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At least 739 records · Page 41

Reactivity Coefficient Measurements to Aid in Reducing Compensating Errors in Plutonium Nuclear Data

Compensating errors between several nuclear data observables in a nuclear data library can adversely impact application simulations. The primary goal of the EUCLID project (Experiments Underpinned by Computational Learning for Improvements in Nuclear Data) is to reduce compensating errors between fast (0.1–5 MeV) 239Pu nuclear data for prompt fission neutron spectra (PFNS), average prompt fission neutron multiplicities, and neutron induced fission, capture, elastic, and inelastic cross sections. This work will focus on the design and execution of void reactivity coefficient measurements in the EUCLID experiment, performed on the Planet vertical lift critical assembly machine at the National Criticality Experiments Research Center (NCERC). Two different base configurations were designed and measured, one with high neutron leakage, and one with low neutron leakage. Both were primarily made up of plutonium metal (Zero Power Physics Reactor plates) without interstitial moderators and reflected by half-inch aluminum. Design optimization showed that void reactivity coefficient measurements in three locations per configuration was most impactful to reduce nuclear data uncertainties due to the varying impacts from elastic and inelastic scattering, as well as fission and capture. The locations for measurements were chosen based on preliminary studies which balanced measurement uncertainty and measurement practicality. The measurements were also selected to have sensitivities maximally complementary to previous arrangements. Comparisons across nuclear data libraries highlight the potential impact.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Superradiance and Directional Exciton Migration in Metal–Organic Frameworks

Crystalline metal–organic frameworks (MOFs) are promising synthetic analogues of photosynthetic light-harvesting complexes (LHCs). The precise assembly of linkers (organic chromophores) around the topology-defined pores offers the evolution of unique photophysical behaviors that are reminiscence of LHCs. These include MOF excited states with photoabsorbed energy that is spatially dispersed over multiple linkers defining the molecular excitons. The multilinker molecular excitons display superradiance–a hallmark of coupled oscillators seen in LHCs–with radiative rate constant (k rad ) exceeding that of a single linker. Our theoretical model and experimental results on three zirconium MOFs, namely, PCN-222(Zn), NU-1000, and SIU-100, with similar topology but varying linkers suggest that the size of such molecular excitons depends on the electronic symmetry of the linker. This multilinker exciton model effectively predicts the energy transfer rate constant; corresponding single-step exciton hopping time, ranging from a few picoseconds in SIU-100 and NU-1000 to a few hundreds of picoseconds in PCN-222(Zn), matches well with the experimental data. The model also predicts the anisotropy of exciton displacement with preferential migration along the crystallographic c-axis. Overall, these findings establish various missing links defining the exciton size and dynamics in MOF-assembled linkers. Furthermore, the understandings will provide design principles, especially, positioning the catalysts or electrode relative to the linker orientation for low-density solar energy conversion systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Current Progress of the Final Design of a Subcritical Assembly at the Oak Ridge National Laboratory

During the past decade, the US Department of Energy (DOE)/National Nuclear Security Administration (NNSA) Nuclear Criticality Safety Program (NCSP) has been coordinating nuclear criticality safety (NCS) courses to provide training and qualification to new staff, supervisors, managers, regulators, and other professionals involved with NCS. To address the growing need for more NCS training possibilities, a subcritical assembly was designed at Oak Ridge National Laboratory (ORNL). The Oak Ridge Subcritical Assembly (ORSA), operated at ORNL, could be used in a new course for fissile material handlers/operators or as a backup training facility for currently existing NCSP hands-on NCS training. This paper describes some of the design steps necessary for obtaining a final ORSA design, beginning with a successful feasibility study performed in 2020. Numerous parameters within each main element of the assembly were considered, such as the reflector used, the type of fuel coating or plating used, and the number of fuel plates used. The design choices related to each parametric study described in this paper are detailed and justified at the end of each subsection. An overview of the current final design characteristics of ORSA and the experiments’ possibilities is also provided. ORSA will be built with fuel plates from legacy Aerojet General Nucleonics (AGN)-201M research reactors currently stored at the Y-12 National Security Complex (Y-12). The cylindrical fuel plates comprise UO 2 particles embedded in polyethylene and have a nominal enrichment of 19.5 ± 0.5 wt % 235 U. The basis for the final design was the feasibility study from 2020. In the feasibility study, ORSA achieved k eff = 0.95, corresponding to a multiplication factor of 20, with approximately 620 g of 235 U (four 4 cm plates, three 2 cm plates, and two 1 cm plates) and an 8.5 cm thick graphite reflector radially and on top of the assembly. The bottom of the assembly has a graphite thickness of 5 cm, and the chosen graphite density was 2.3 g/cm 3 . All design calculations were performed using SCALE 6.2.4 KENO-VI and with the ENDF/B VII.1 Continuous Energy cross-section library.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Criticality Experiments to Reduce Compensating Errors in Plutonium Nuclear Data

Compensating errors between nuclear data observables in a library can adversely impact application simulations. The primary goal of the EUCLID project (Experiments Underpinned by Computational Learning for Improvements in Nuclear Data) is to reduce compensating errors in nuclear data. A new criticality experiment, described in this work, was designed with the specific target nuclear data of 239 Pu fission, inelastic scattering, elastic scattering, capture, nu-bar, and prompt fission neutron spectrum (PFNS). This work will focus on the design and execution of the EUCLID experiment, performed on the Planet vertical lift critical assembly machine at the National Criticality Experiments Research Center (NCERC). The criticality experiment includes two different configurations with very different geometries: one is cube-like to minimize neutron leakage while the other is slab-like to maximize leakage. Having these two widely varying configurations allows the scattering sensitivities of 239 Pu to the neutron multiplication factor to be greatly changed while minimally impacting the other cross section sensitivities. Both configurations utilize the Pu ZPPR (Zero Power Physics Reactor) plates as fuel. The experiments were designed using a D-Optimality criteria, which is an optimization method minimizing the log-determinant of the adjusted nuclear data covariance for the target reactions. These experiments include not only inference of k eff , as done in all critical benchmark experiments, but several other responses as well, such as neutron multiplication measurements and reaction rate ratios. After analysis of the measured data is complete, adjustment of nuclear data will be performed to assess whether the new experimental data successfully reduced compensating errors.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

High Multiplication Neutron Noise Measurements Using the 7uPCX Assembly

The Seven Percent Critical Experiment, or 7uPCX, is a system that mimics the physics of light water nuclear reactor systems by using uranium dioxide fuel pins at an enrichment of approximately 7%. 7uPCX is often used for benchmarking and nuclear data purposes. As part of a collaboration between Lawrence Livermore National Laboratory, Los Alamos National Laboratory, Sandia National Laboratories, and the Institut de Radioprotection et de Sûreté Nucléaire, measurements were performed in support of a high-multiplication, subcritical benchmark candidate for a thermal system. The measurements were completed by making subcritical configurations using the fuel loading pattern of a well-documented configuration of the Seven Percent Critical Experiment at Sandia National Laboratories, which exists as a benchmark in the International Criticality Safety Benchmark Evaluation Project handbook. These measurements, which aimed to capture multiplications ranging from approximately 10 to 1,000, also serve as an intercomparison between both the fielded detector systems and analysis methodologies with the goal of better characterizing the detectors and their ability to capture the state of the criticality these types of systems. Los Alamos National Laboratory’s measurements for this collaboration were made with five linked helium-3 based neutron multiplicity detectors placed on the periphery of the reactor tank beyond the infinite reflector thickness of water, and four organic scintillators placed in dry-wells in-reactor near the edge of the upper fuel grid plate. This work captures the Los Alamos National Laboratory measurements, the Rossi-α and Feynman-Y results, provides an intercomparison between the results of the 3 He neutron detectors and the organic scintillators, compares to simulation where possible, and expands on future work.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Effect of neutron beamline irradiation on hydrogen equilibrium vapor pressure over hydrided Zircaloy-4

Here, the effect of neutron irradiation on the hydrogen equilibrium vapor pressure over hydrided samples of nickel-plated Zircaloy-4 was evaluated at the Washington State University Research Reactor’s epithermal beamline facility. To enable this study, a measurement capability was designed and assembled to obtain low pressure (<0.1 Pa) measurements over the temperature range of interest (i.e., ~300° - 400°C). Measurement results were in good agreement with tends extrapolated from previous data obtained at higher temperatures as well as recent thermodynamic data. No irradiation enhancement of vapor pressure was observed under the incident flux of epithermal neutrons over this temperature range.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Uranium integral fission product yields for a spectrally-shaped 14.1 MeV neutron source at the National Ignition Facility

This paper describes the experimental results for an energy tuning assembly created to modify the National Ignition Facility deuterium–tritium fusion neutron source into a notional thermonuclear and prompt fission neutron spectrum, which has applications in integral measurements, nuclear data benchmarks, and radiation effects on microelectronics. The Monte Carlo neutron transport utilized MCNP5 to estimate the ETA-modified fluence using the ENDF-B/VIII.0 and IRDFF-II continuous energy nuclear data libraries, and SCALE Sampler was used to estimate the systematic nuclear data covariance using ENDF-B/VII.1 and IRDFF-II in a 252-group structure. The experiment fielded eight activation foils and a highly enriched uranium sample. This provided fifteen reaction channels that were used in a forward-fit comparison to the modeled results and to unfold the neutron spectrum using STAYSL. Gamma-ray spectrometry was performed on the activation and highly enriched uranium foils, and the reduced Χ 2 between the modeled and experimental values was 1.21. The results from the STAYSL unfold, reduced Χ 2 = 1.62, indicated that the modeled neutron spectrum was achieved and the systematic nuclear data uncertainty associated with the neutron transport and activation product cross sections was representative of the experiment. Integral cumulative fission product yield data were collected for 37 mass chains with a combination of gamma-ray spectrometry and radiochemical analysis. Fission product analysis was generally in agreement with two models using a semi-empirical fit and the General Observables of Fission code, with the exception of mass chains 88, 109, 111, 112, 113, 129, 139, 142, 144, 151, and 156.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Identification of candidate host-specificity genes in Exserohilum turcicum using comparative genomics and transcriptomics

Abstract Exserohilum turcicum causes northern corn leaf blight and sorghum leaf blight. While the same species cause disease in both crops, the strains are host-specific. Here, we report the sequence and de novo annotated assemblies of one sorghum- and one maize-specific E. turcicum strain. The strains were sequenced using the PacBio Sequel II system. The total genome length for both assemblies was between 44 and 45 Mb with N50 of ∼2.5 Mb. Ninety-eight percent of the Benchmarking Universal Single-Copy Orthologs (BUSCO) for both assemblies had complete status. The estimated number of genes was 11,762 and 12,029 in the sorghum- and maize-specific isolates, respectively. Funannotate, EffectorP, SignalP, and transcriptome data were used to create functional annotation of each genome. The whole-genome comparison identified ten large-scale inversions and three translocations between the maize- and sorghum-specific strains, along with homologous genes and gene duplications. RNA was sequenced from the maize- and sorghum-specific isolate 10 days post-inoculation in maize and sorghum and from axenic cultures. Gene expression data from planta and axenic growth experiments were compared for each strain. Candidate host-specificity genes were identified by combining results from whole-genome comparison, synteny analysis, gene annotations, and transcriptome data. Overall, this study identified several candidate host-specificity genes that provide insights into E. turcicum interaction with its hosts.

Krone, Mara J. (ORCID:0000000159006624)↗

Slow control and monitoring system at the JSNS 2

The Sterile Neutrino Search at the J-PARC Spallation Neutron Source (JSNS$^2$) experiment aims to search for sterile neutrino oscillations using a neutrino beam from muon decays at rest. The JSNS$^2$ detector contains 17 tons of 0.1$\%$ gadolinium (Gd) loaded liquid scintillator (LS) as a neutrino target. Detector construction was completed in the spring of 2020. A slow control and monitoring system (SCMS) was implemented for reliable control and quick monitoring of the detector operational status and environmental conditions. It issues an alarm if any of the monitored parameters exceed a preset acceptable range. The SCMS monitors the high voltage of the photomultiplier tubes, the LS level in the detector, possible LS overflow and leakage, the temperature and air pressure in the detector, the humidity of the experimental hall, and the LS flow rate during filling and extraction. An initial 10 days of data-taking with a neutrino beam was done following a successful commissioning of the detector and SCMS in 2020 June. In this paper, we present a description of the assembly and installation of the SCMS and its performance.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Genomics and physiology of Catenibacillus, human gut bacteria capable of polyphenol C-deglycosylation and flavonoid degradation

The genusCatenibacillus(familyLachnospiraceae, phylumBacillota) includes only one cultivated species so far,Catenibacillus scindens,isolated from human faeces and capable of deglycosylating dietary polyphenols and degrading flavonoid aglycones. Another human intestinalCatenibacillusstrain not taxonomically resolved at that time was recently genome-sequenced. We analysed the genome of this novel isolate, designatedCatenibacillus decagia, and showed its ability to deglycosylateC-coupled flavone and xanthone glucosides andO-coupled flavonoid glycosides. Most of the resulting aglycones were further degraded to the corresponding phenolic acids. Including the recently sequenced genome ofC. scindensand ten faecal metagenome-assembled genomes assigned to the genusCatenibacillus, we performed a comparative genome analysis and searched for genes encoding potentialC-glycosidases and other polyphenol-converting enzymes. According to genome data and physiological characterization, the core metabolism ofCatenibacillusstrains is based on a fermentative lifestyle with butyrate production and hydrogen evolution. BothC. scindensandC. decagiaencode a flavonoidO-glycosidase, a flavone reductase, a flavanone/flavanonol-cleaving reductase and a phloretin hydrolase. Several gene clusters encode enzymes similar to those of the flavonoidC-deglycosylation system ofDoreastrain PUE (DgpBC), while separately located genes encode putative polyphenol-glucoside oxidases (DgpA) required forC-deglycosylation. The diversity ofdgpAanddgpBCgene clusters might explain the broadC-glycoside substrate spectrum ofC. scindensandC. decagia. The otherCatenibacillusgenomes encode only a few potential flavonoid-converting enzymes. Our results indicate that severalCatenibacillusspecies are well-equipped to deglycosylate and degrade dietary plant polyphenols and might inhabit a corresponding, specific niche in the gut.

Genetics & Heredity↗

Development of Shielding Benchmarks Using the Godiva IV Assembly

The Nuclear Criticality Safety Program (NCSP) is developing a shielding benchmark using the Godiva IV assembly as a source. Its present status is reviewed herein. Even eight decades into the nuclear era, substantial work remains to develop a database of shielding benchmarks to support future nuclear development. A nuclear simulation is only as good as its supporting data, inputs, and validation basis. Uncertainty in these areas is addressed using conservatism, which adds margin and, occasionally, cost. In many shielding situations, high accuracy is not necessary because additional material is not particularly expensive. After all, 1–2 cm of lead often reduces the gamma ray dose substantially. However, in certain areas, conservatism can add unnecessary cost. These areas include mobile shielding applications such as casks, ships, microreactors, and spacecraft, where weight and, thus, margin is expensive. Although these characteristics are side benefits for NCSP shielding benchmark development, the main driver is enabling more reliable placement of criticality accident alarm systems (CAASs) in nuclear material facilities, such as those dedicated to the production of advanced reactor fuels. CAAS placement relies on more than accurate data and code validation. It also relies on sufficiently accurate materials specifications, geometry specifications, and a well-defined, alarm-producing baseline accident. All these things require tacit knowledge and understanding of the problem being evaluated. Benchmarks can help ensure this understanding.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

INDEN Fissile Actinide Issues [Slides]

This presentation addresses the outlook for the International Nuclear Data Evaluation Network (INDEN), specifically regarding general issues that have been solved, including Thermal Neutron Constants (TNC) and Prompt Fission Neutron Spectra (PFNS). Other topics discussed include outstanding issues in fissile evaluations, comments on the RPI quasi-differential experiment, and reaction rate testing of trial evaluations in fast assemblies. The presentation concludes by discussing how INDEN interactions strongly helped to find deficiencies in existing evaluations and highlighted potential solutions to existing challenges, that updated trial evaluations for U-235, U-233, Pu-239 are available for testing, that further work is expected on U-235, Pu-239, and U-233, and that performance was tested on the ICSBEP and/or SINBAD benchmarks, during which significant improvement was demonstrated. The INDEN scheme of international collaboration on nuclear data evaluation is working well.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Thermal Stability of π-Conjugated n -Ethylene-Glycol-Terminated Quaterthiophene Oligomers: A Computational and Experimental Study

This work represents a joint computational and experimental study on a series of $\textit{n}$-ethylene glycol (PEO$\textit{n}$)-terminated quaterthiophene (4T) oligomers for 1 < $\textit{n}$ < 10 to elucidate their self-assembly behavior into a smectic-like lamellar phase. This study builds on an earlier study for $\textit{n}$ = 4 that showed that our model predictions were consistent with experimental data on the melting behavior and structure of the lamellar phase, with the latter consisting of crystal-like 4T domains and liquid-like PEO4 domains. The present study aims to understand how the length of the terminal PEO$\textit{n}$ chains modulates the disordering temperature of the lamellar phase and hence the relative stability of the ordered structure. In this work, a simplified bilayer model, where the 4T domains are not explicitly described, is put forward to efficiently estimate the disordering effect of the PEO domains with increasing n; this method is first validated by correctly predicting that layers of alkyl (PE)-capped 4T oligomers (for 1 < $\textit{n}$ < 10) stay ordered at room temperature. Both 4T-domain implicit and explicit model simulations reveal that the order-disorder temperature decreases with the length of the PEO capping chains, as the associated increase in conformational entropy drives a tendency toward disorder that overtakes the cohesive energy, keeping the ordered packing of the 4T domains.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The SRG/eROSITA All-Sky Survey: Exploring halo assembly bias with X-ray-selected superclusters

Numerical simulations indicate that the clustering of dark matter halos is not only dependent on the halo masses but has a secondary dependence on other properties, such as the assembly history of the halo. This phenomenon, known as the halo assembly bias (HAB), has been found mostly on galaxy scales; observational evidence on larger scales is scarce. In this work, we propose a novel method for exploring HAB on cluster scales using large samples of superclusters. Leveraging the largest-ever X-ray galaxy cluster and supercluster samples obtained from the first SRG/eROSITA all-sky survey, we constructed two subsamples of galaxy clusters that consist of supercluster members and isolated clusters, respectively. After correcting for the selection effects on redshift, mass, and survey depth, we computed the excess in the concentration of the intracluster gas of isolated clusters with respect to supercluster members, defined as δc gas ≡ c gas , ISO /c gas , SC –1 , to investigate the environmental effect on the concentration of clusters, a sign of HAB on cluster scales. We find that the average gas mass concentration of isolated clusters is a few percent higher than that of supercluster members, with a maximum significance of 2.8σ. The result for δc gas varies with the overdensity ratio, f, in supercluster identification, cluster mass proxies, and mass and redshift ranges but remains positive in almost all the measurements. We measure slightly larger δc gas when adopting a higher f for supercluster identification. The δc gas is also higher for low-mass and low-redshift clusters. We performed weak lensing analyses to compare the total mass concentration of the two classes and find a similar trend in total mass concentration as obtained from the gas mass concentration. Our results are consistent with the prediction of HAB on cluster scales, where halos located in denser environments are less concentrated; this trend is stronger for halos with lower masses and at lower redshifts. These phenomena can be explained by the fact that clusters in denser environments, such as superclusters, have experienced more mergers than isolated clusters in their assembling history. This work paves the way to explore HAB with X-ray superclusters and demonstrates that large samples of superclusters with X-ray and weak-lensing data can advance our understanding of the evolution of the large-scale structure.

79 ASTRONOMY AND ASTROPHYSICS↗

MSU Disentanglement Analysis Software

This software is used to disentangle the forced-versus-unforced components of tropospheric temperature change over the satellite era (after 1979) using maps of surface temperature change as a predictor. In general, the software assembles training datasets (from pre-computed surface temperature trend maps and domain averaged tropospheric warming rates), trains statistical/machine learning (ML) algorithms, applies the trained statistical/ML model to climate model data and observations, and then saves the results. A leave-one-out approach is used in which the statistical/ML models are iteratively trained on (N- 1) climate model and then applied to the remaining climate model (and observations). Each model includes a large ensemble (i.e., >10) of model simulations. The software relies on scikit-learn ridge regression, PLS regression, and neural network algorithms.

Po-Chedley, StephenD↗

Modularization of EDGE Workflows Using Nextflow: Improving the Efficiency and Maintainability of Bioinformatics Software

EDGE is a bioinformatics platform developed in 2016 by researchers at Los Alamos National Laboratory (LANL) to facilitate the analysis of next-generation sequencing data by researchers with varying levels of experience in bioinformatics (Li et al., 2017). Users with single-end, paired-end or long-read sequencing data can provide their reads as input to EDGE and select the combination of workflows to run that are most useful for their research (e.g., quality control of reads, genome assembly, or the taxonomic classification of input reads). Table 1 summarizes the modules available in EDGE. EDGE is available as a web platform at https://edgebioinformatics.org, as installable source code maintained on GitHub under a GPLv3 license, and as a publicly hosted Docker image.

59 BASIC BIOLOGICAL SCIENCES↗

KBase Narrative - Genomic and environmental controls on Castellaniella biogeography in an anthropogenically disturbed site

Genome assemblies were imported into KBase using the Batch Import Assembly from Staging Area (v1.0.57) function. All assemblies were annotated using the Annotated Multiple Microbial Assemblies with RASTtk - v1.073 tool. Annotated genomes were grouped into sets using the Add Genomes to GenomeSet - v1.7.6 function. Individual annotated genomes can be found both below and in the Data menu to the left. Taxonomy was assigned using the Classify Microbes with GTDB-Tk-v1.7.0 tool. The results of this analysis are shown below. Analysis of the Castellaniella pangenome was performed using the Compute Pangenome (v0.0.7) tool. Using the same method, we also computed the ORR-specific and non-ORR Castellaniella pangenomes. All pangenome results (including the presence/absence matrix) can be found below.

Szink, Elizabeth↗