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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

AuriDESI: mock catalogues for the DESI Milky Way Survey

The Dark Energy Spectroscopic Instrument Milky Way Survey (DESI MWS) will explore the assembly history of the Milky Way by characterizing remnants of ancient dwarf galaxy accretion events and improving constraints on the distribution of dark matter in the outer halo. We present mock catalogues that reproduce the selection criteria of MWS and the format of the final MWS data set. These catalogues can be used to test methods for quantifying the properties of stellar halo substructure and reconstructing the Milky Way’s accretion history with the MWS data, including the effects of halo-to-halo variance. The mock catalogues are based on a phase-space kernel expansion technique applied to star particles in the Auriga suite of six high-resolution lambda-cold dark matter magnetohydrodynamic zoom-in simulations. They include photometric properties (and associated errors) used in DESI target selection and the outputs of the MWS spectral analysis pipeline (radial velocity, metallicity, surface gravity, and temperature). They also include information from the underlying simulation, such as the total gravitational potential and information on the progenitors of accreted halo stars. We discuss how the subset of halo stars observable by MWS in these simulations corresponds to their true content and properties. These mock Milky Ways have rich accretion histories, resulting in a large number of substructures that span the whole stellar halo out to large distances and have substantial overlap in the space of orbital energy and angular momentum.

dynamics↗
DOE OSTI2023

High-fidelity multiphysics load following and accidental transient modeling of microreactors using NEAMS tools: Application of NEAMS codes to perform multiphysics modeling analyses of micro-reactor concepts

The feasibility of modeling microreactors using high-fidelity models with the Nuclear Energy Advanced Modeling and Simulation (NEAMS) tools is investigated in this report. Three overarching questions guided this research: can NEAMS tools readily be applied for high-fidelity multiphysics modeling of different types of transients in microreactor designs; how accurate are the results obtained; and are improvements needed in accuracy or user experience of NEAMS tools, especially considering newly developed capabilities? This work builds upon FY-2022 work, and two microreactor concepts considering heat pipe (HP-MR) and gas-cooled (GC-MR) technologies were further analyzed using high-fidelity multiphysics simulations. The NEAMS tools considered and coupled within the MultiApp environment are Griffin for neutronics, BISON for thermo-mechanics, Sockeye for heat pipe modeling (in HP-MR), SAM for 1D Fluid – 3D solid modeling of coolant channels and system modeling of balance of plant components (in GC-MR), and the SWIFT code for hydrogen redistribution in hydride moderator. The Heat Pipe MicroReactor (HP-MR) concept was further analyzed in FY-2023 to demonstrate the stochastic TRISO failure modeling capability in BISON to check operational limits of the TRISO fuel. A new full-core Gas-Cooled MicroReactor (GC-MR) model was developed based on the initial assembly-model used in Y-2022 and used for steady-state and accidental depressurization transient simulations. Accuracy of the simulations performed was assessed through 1) verification analyses completed on the different physics with code-to-code comparison, and 2) validation of the multiphysics simulations based on modeling of the Kilopower Reactor Using Stirling Technology (KRUSTY) experiment. In FY-2023, the mesh and model of KRUSTY was updated to closely match publicly available data, and the neutronic model was verified and validated against experimental control rod worth measurements. The multiphysics model of KRUSTY was developed and used for steady-state analysis and for modeling reactivity insertion transient. The calculated power increase and stabilization agrees well with experimental data following adjustment in fuel thermal expansion coefficient. As an important component of this project, the ANL team gathered experience with a wide range of NEAMS tools: the MOOSE Mesh System, Griffin, BISON, SWIFT, Sockeye, SAM, Workbench, and the MOOSE MultiApp System, and provided assessment of new capabilities. Noteworthy are the user assessment of the “vapor-only” flow model in Sockeye and development of a multiphysics startup transient in HP-MR unit cell for use as tutorial in Sockeye. The full-core GC-MR model was used for assessment of SAM for balance of plant modeling and for demonstrating the SWIFT code capability for hydrogen redistribution modeling in multiphysics transient analyses. In this process, several bugs/issues were identified and reported to developers. Finally, the assembly GC-MR model developed in FY-2022 coupling Griffin, BISON and SAM through flow blockage and rod ejection transients was published to the National Reactor Innovation Center (NRIC) Virtual Test Bed (VTB). The Heat Pipe MicroReactor (HP-MR) concept high-fidelity multiphysics coupling of Griffin/BISON/Sockeye in load-following and heat pipe failure transients was also published on the VTB. Those submissions are enabling thorough review of these models as well as wide distribution to industry, regulator, and university users. In this analysis, several new research questions were uncovered, and follow-up analyses are recommended to further improve some models, consider additional transients, and continue development of VTB models.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Chromosome‐level Thlaspi arvense genome provides new tools for translational research and for a newly domesticated cash cover crop of the cooler climates

Summary Thlaspi arvense (field pennycress) is being domesticated as a winter annual oilseed crop capable of improving ecosystems and intensifying agricultural productivity without increasing land use. It is a selfing diploid with a short life cycle and is amenable to genetic manipulations, making it an accessible field‐based model species for genetics and epigenetics. The availability of a high‐quality reference genome is vital for understanding pennycress physiology and for clarifying its evolutionary history within the Brassicaceae. Here, we present a chromosome‐level genome assembly of var. MN106‐Ref with improved gene annotation and use it to investigate gene structure differences between two accessions (MN108 and Spring32‐10) that are highly amenable to genetic transformation. We describe non‐coding RNAs, pseudogenes and transposable elements, and highlight tissue‐specific expression and methylation patterns. Resequencing of forty wild accessions provided insights into genome‐wide genetic variation, and QTL regions were identified for a seedling colour phenotype. Altogether, these data will serve as a tool for pennycress improvement in general and for translational research across the Brassicaceae.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Hexagonal Lattices of HIV Capsid Proteins Explored by Simulations Based on a Thermodynamically Consistent Model

HIV capsid proteins (CAs) may self-assemble into a variety of shapes under in vivo and in vitro conditions. Here, we employed simulations based on a residue-level coarse-grained (CG) model with full conformational flexibility to investigate hexagonal lattices, which are the underlying structural pattern for CA aggregations. Facilitated by enhanced sampling simulations to rigorously calculate CA dimerization and polymerization affinities, we calibrated our model to reproduce the experimentally measured affinities. Here using the calibrated model, we performed unbiased simulations on several large systems consisting of 1512 CA subunits, allowing reversible binding and unbinding of the CAs in a thermodynamically consistent manner. In one simulation, a preassembled hexagonal CA sheet developed spontaneous curvatures reminiscent of those observed in experiments, and the edges of the sheet exhibited local curvatures larger than those of the interior. In other simulations starting with randomly distributed CAs at different concentrations, existing CA assemblies grew by binding free capsomeres to the edges and by merging with other assemblies. At high CA concentrations, rapid establishment of predominant aggregates was followed by much slower adjustments toward more regular hexagonal lattices, with increasing numbers of intact CA hexamers and pentamers being formed. Our approach of adapting a general CG model to specific systems by using experimental binding data represents a practical and effective strategy for simulating and elucidating intricate protein aggregations.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

The MuvB complex binds and stabilizes nucleosomes downstream of the transcription start site of cell-cycle dependent genes

The chromatin architecture in promoters is thought to regulate gene expression, but it remains uncertain how most transcription factors (TFs) impact nucleosome position. The MuvB TF complex regulates cell-cycle dependent gene-expression and is critical for differentiation and proliferation during development and cancer. MuvB can both positively and negatively regulate expression, but the structure of MuvB and its biochemical function are poorly understood. Here we determine the overall architecture of MuvB assembly and the crystal structure of a subcomplex critical for MuvB function in gene repression. We find that the MuvB subunits LIN9 and LIN37 function as scaffolding proteins that arrange the other subunits LIN52, LIN54 and RBAP48 for TF, DNA, and histone binding, respectively. Biochemical and structural data demonstrate that MuvB binds nucleosomes through an interface that is distinct from LIN54-DNA consensus site recognition and that MuvB increases nucleosome occupancy in a reconstituted promoter. We find in arrested cells that MuvB primarily associates with a tightly positioned +1 nucleosome near the transcription start site (TSS) of MuvB-regulated genes. These results support a model that MuvB binds and stabilizes nucleosomes just downstream of the TSS on its target promoters to repress gene expression.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Chromosome assembled and annotated genome sequence of Aspergillus flavus NRRL 3357

Abstract Aspergillus flavus is an opportunistic pathogen of crops, including peanuts and maize, and is the second leading cause of aspergillosis in immunocompromised patients. A. flavus is also a major producer of the mycotoxin, aflatoxin, a potent carcinogen, which results in significant crop losses annually. The A. flavus isolate NRRL 3357 was originally isolated from peanut and has been used as a model organism for understanding the regulation and production of secondary metabolites, such as aflatoxin. A draft genome of NRRL 3357 was previously constructed, enabling the development of molecular tools and for understanding population biology of this particular species. Here, we describe an updated, near complete, telomere-to-telomere assembly and re-annotation of the eight chromosomes of A. flavus NRRL 3357 genome, accomplished via long-read PacBio and Oxford Nanopore technologies combined with Illumina short-read sequencing. A total of 13,715 protein-coding genes were predicted. Using RNA-seq data, a significant improvement was achieved in predicted 5’ and 3’ untranslated regions, which were incorporated into the new gene models.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

A scaffolded and annotated reference genome of giant kelp (Macrocystis pyrifera)

Abstract Macrocystis pyrifera (giant kelp), is a brown macroalga of great ecological importance as a primary producer and structure-forming foundational species that provides habitat for hundreds of species. It has many commercial uses (e.g. source of alginate, fertilizer, cosmetics, feedstock). One of the limitations to exploiting giant kelp’s economic potential and assisting in giant kelp conservation efforts is a lack of genomic tools like a high quality, contiguous reference genome with accurate gene annotations. Reference genomes attempt to capture the complete genomic sequence of an individual or species, and importantly provide a universal structure for comparison across a multitude of genetic experiments, both within and between species. We assembled the giant kelp genome of a haploid female gametophyte de novo using PacBio reads, then ordered contigs into chromosome level scaffolds using Hi-C. We found the giant kelp genome to be 537 MB, with a total of 35 scaffolds and 188 contigs. The assembly N50 is 13,669,674 with GC content of 50.37%. We assessed the genome completeness using BUSCO, and found giant kelp contained 94% of the BUSCO genes from the stramenopile clade. Annotation of the giant kelp genome revealed 25,919 genes. Additionally, we present genetic variation data based on 48 diploid giant kelp sporophytes from three different Southern California populations that confirms the population structure found in other studies of these populations. This work resulted in a high-quality giant kelp genome that greatly increases the genetic knowledge of this ecologically and economically vital species.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Developing Decommissioning Cost Estimating Relationships and the Decommissioning Estimate Analysis Library Estimating System - 20423

DOE-EM's Consolidated Business Center (EM-CBC) Office of Cost Estimating has developed a system of Decommissioning Cost Estimating Relationships (CERs) and Models to improve the reliability and efficiency of its estimates. The development builds on the multi-year process of collecting and organizing historical cost data from DOEEMs decommissioning projects and estimate model development to support project and program-level decommissioning estimates. The latest work has extended these models down to project scope element and component building area levels, allowing the actual costs of work for these estimate components to be assembled into estimates that reflect specific projects. The CERs have been incorporated into two estimator-friendly products - as cost libraries in the MII estimating program and as an MS Excel-based model, and are available for DOE federal staff use. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Modeling and Simulation of Fuel Dispersal During the Loss-of-Coolant Accident

This document is the compilation of the milestone portion to a larger end of project NEUP report. The executive summary of the modeling portion is provided below: In the event of cladding rupture during a postulated LOCA in a pressurized water reactor, fuel particles, along with fission gases, can be expelled into the reactor core from the fractured fuel rod, a phenomenon referred to as fuel dispersal. The initial stage of fuel dispersal is strongly influenced by the high-pressure ejection of fuel fragments, the size and geometry of the ruptured cladding, and the depressurization history of the fuel rod during the postulated LOCA transient. Depending on the location of the burst orifice relative to the quench front, the dispersal event represents an intricate three-phase flow and heat transfer phenomenon, where high-temperature fuel particles carried by the fission gases interact with the coolant within the narrow subchannels of the fuel assemblies, inducing localized phase change. Given the unique multiphysics nature of this phenomena, the current study develops a dedicated computational framework to predict the mass distribution and cooling of dispersing fuel particles, facilitating post-accident assessment and management of the fuel assemblies. Considering the scale of nuclear reactor applications, a continuum three-fluid model is proposed for simulating the transport of solids within the reactor core. With high-temperature fuel fragments within the liquid media, nucleation sites inducing phase changes are dispersed within the flow domain. Coupled with the fact that the transient dispersal event occurs on different time scales than other three-phase flow applications, this study derives a time-averaged three-fluid flow model without losing generality. The assumptions regarding the continuum treatment of the solid phase and the modeling of fuel dispersal behavior are incorporated to simplify the governing equations and derive applicable closure relations. The computational validation of the model was conducted using adiabatic experimental results obtained from ongoing research at Oregon State University, focusing on characterizing fuel dispersal behavior during simulated LOCA conditions. Settlement characteristics of the solids, quantified by the probability distribution of equivalent particles, closely matched the probability density functions reported in experimental studies. The transport of fuel particles within a scaled 5 × 5 lattice of a pressurized-water reactor rod bundle geometry was modeled through a two-fluid Eulerian framework. The required boundary conditions were evaluated from the fuel performance code BISON in a postulated large-break LOCA scenario. The modeling framework considered solid fuel particles as granular matter, interacting with the gaseous dry steam phase and fission gases through the governing interfacial momentum exchange between the participating fluids. The simulation results provided the volume fraction of the solids obtained at the bottom surface of the enclosing tank geometry. Postulated LOCA leading to fuel dispersal phenomena involves the strong coupling between fuel thermomechanics, cladding deformation, thermal-hydraulics, and fuel particle transport. Incorporation of such a strong coupling in numerical simulation is performed by coupling the multiphysics solvers. In the case of fuel dispersal, a strong coupled simulation can be performed by coupling the BISON code for fuel performance, the TRACE code for system-level thermal hydraulics, and fuel particle transport in Multiphysics Object-Oriented Simulation Environment (MOOSE). For such intricate infrastructure, the MOOSE Framework eases the data transfer between codes. The recent version of MOOSE has incorporated the Navier-Stokes module for the fluid flow. An exploratory exercise was done to gain familiarity with finite volume capabilities in the MOOSE framework to incorporate the Spalart-Allmaras (SA) turbulence model. New finite-volume and auxiliary kernels were introduced to assemble the SA transport equation, compute turbulent viscosity, and evaluate wall distance and diagnostic turbulence terms, fully integrated with existing Navier-Stokes modules. A turbulent lid-driven cavity at a Reynolds number of approximately 10,000 is used for verification. MOOSE shows the robust solver convergence and produces the turbulent features. But it underpredicts the velocity profile and turbulent quantities, emphasizing the need to develop improved SA near-wall treatments (e.g., low-Re corrections or wall functions) as a key direction for future work.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

SPARC - Plans for a New Critical Experiment Facility with a Horizontal Split Table

Several critical experiment facilities, sometimes referred to as zero power reactor facilities, have provided crucial data to aid understanding and validate nuclear-physics models since the beginning of nuclear technology. Indeed, the first man-made reactor, Chicago Pile-1, was essentially this type of reactor. However, there was a downturn in nuclear technology development toward the turn of the millennium, and the need for these specialized research facilities waned. Now there are few of these experimental facilities operational in the world and those that remain have relatively small critical assembly machines. The need for criticality safety benchmark experiments at intermediate neutron energy levels and the modern resurgence of interest in advanced reactors designs, many of which do not have historical precedents in terms of nuclear fuel composition, moderator, and coolant combinations, all combine to create a substantial need for a critical experiment facility with a large horizontal split-table (HST) machine. A HST machine is used to arrange two separate and subcritical parts of a core assembly, bring them together in a precise manner to achieve criticality using remote controls, and separate them to achieve a subcritical configuration again. A new effort was recently performed to develop user needs for a HST, assess candidate locations at the Idaho National Laboratory (INL), and develop a plan for deployment. This project is referred to as the System Physics Advanced Reactor Critical facility (SPARC). A few months after this assessment began, and shortly after as a viable pathway was emerging, a series of important presidential executive orders were issued to revitalize nuclear energy in the United States (U.S.). The relevance of SPARC to these executive orders was immediately apparent. The far-reaching potential of SPARC to these executive orders will reside in its ability to produce data which facilitates licensing of advanced nuclear reactor designs while reducing uncertainties to help increase energy production alongside new criticality safety data to enable more efficient nuclear fuel manufacture, transport, and storage.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

Data and scripts associated with a manuscript analyzing ELM-FATES parameter sensitivity under pre-fire and postfire scenarios using machine learning

NOTE: The manuscript associated with this data package is currently in review. The data may be revised based on reviewer feedback. Upon manuscript acceptance, this data package will be updated with the final dataset and additional metadata. This data package is associated with the manuscript “Fire Severity-Dependent Shifts in Vegetation Parameter Sensitivity: A Pre- and Post-Fire Analysis Using ELM-FATES and Explainable AI” submitted to Journal of Advances in Modeling Earth Systems (Zahura et al. 2026). The study examines vegetation physiological parameters controlling pre-fire and post-fire vegetation dynamics. To support this analysis, 73 vegetation parameters in Functionally Assembled Terrestrial Ecosystem Simulator (FATES) (Fisher et al., 2018) , which is coupled with E3SM (Energy Exascale Earth System Model) land model (ELM, ELM-FATES), were perturbed using a Sobol sequence to generate 1,024 ensemble members for two plant functional types: needleleaf evergreen extratropical trees (NEET) and C3 grass. Simulations were conducted for the pre-fire period (2016) and post-fire period (2018–2023). Burn severity was represented by modifying the Nesterov index in FATES to 75,000, 150,000, and 300,000 for low, moderate, and high severity, respectively. A no-fire scenario was also included. Simulations were performed for 16 grid cells in the American River Watershed across different burn severities and plant functional types. XGBoost (eXtreme Gradient Boosting) models were trained using the parameter ensembles and ELM-FATES-simulated outputs, including leaf area index (LAI), gross primary productivity (GPP), aboveground biomass, vegetation evaporation, transpiration, and soil evaporation. Models were trained separately for each year and burn severity, followed by SHAP (SHapley Additive exPlanations) analysis to identify changes in dominant parameters after fire disturbance. For details on how to navigate data packages generated by this project, see https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA/About. The data package contains the ELM-FATES simulation data. The scripts and data related to the analysis will be added later. The inputs and outputs from ELM-FATES are inside the “FATES” folder. “FATES_domain_surface” contains the domain and surface netcdfs that were used to run ELM-FATES in the study area. “FATES_parameters” contains the 1024 ensembles that were generated using Sobol sequence. “FATES_outputs” folder contains ELM-FATES simulated variables. All files are .csv and .nc (NetCDF).

Aboveground biomass↗
DOE OSTI2024

Machine learning-driven descriptions of protein dynamics at solid-liquid interfaces

This chapter has described how ML has enabled quantitative analysis of HS-AFM data to discover the physical phenomena governing protein dynamics and ordering at solid-liquid interfaces. The research detailed in this chapter modeled the rotation models of protein nanorods, the discovery of which would otherwise not be possible. By tracking the trajectories of individual protein rods from frame to frame, it was possible to model Brownian type motion and behaviors and Levy-flight dynamics that had not previously been shown. We also described the application of the Python package AtomAI, which has been developed specifically to analyze and extract physical phenomena, providing exemplar code for training an ensemble of deep neural networks to produce the semantic segmentation of AFM data and functions for encoding and decoding local environments. We last described a combinatorial approach to analyze very noisy data with a densely covered substrate where the emergence of order for the protein liquid crystals could be elucidated. By combining the methods from Case 1 and 2, it was possible to obtain the center of mass and angle for each rod in the images and track the assembly of the rods over time into a 2D liquid crystal array on the surface of mica.

protein dynamics, solid-liquid interfaces, atomic ↗
DOE OSTI2023

Atomic-Scale Corrugations in Crystalline Polypeptoid Nanosheets Revealed by Three-Dimensional Cryogenic Electron Microscopy

Amphiphilic molecules that can crystallize often form molecularly thin nanosheets in aqueous solutions. The possibility of atomic-scale corrugations in these structures has not yet been recognized. We have studied the self-assembly of amphiphilic polypeptoids, a family of bio-inspired polymers that can self-assemble into various crystalline nanostructures. Atomic-scale structure of the crystals in these systems has been inferred using both X-ray diffraction and electron microscopy. We use cryogenic electron microscopy to determine the in-plane and out-of-plane structures of a crystalline nanosheet. Data were collected as a function of tilt angle and analyzed using a hybrid single-particle crystallographic approach. The analysis reveals that adjacent rows of peptoid chains, which are separated by 4.5 Å in the plane of the nanosheet, are offset by 6 Å in the direction perpendicular to the plane of the nanosheet. These atomic-scale corrugations lead to a doubling of the unit cell dimension from 4.5 to 9 Å. Our work provides an alternative interpretation for the observed Å X-ray diffraction peak often reported in polypeptoid crystals.

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

The Origins of Blast-Loaded Vessels

As the Manhattan Project shifted to the theory of implosion assembly in 1944, plutonium was extremely rare and large uncertainties surrounded the function of the Gadget. For these reasons, a team within the Manhattan Project began another ambitious experiment: to confine the effects of detonating two tons of high explosives and enable the recovery of precious plutonium! No data existed on the subject, and the team faced numerous challenges as they engineered what is believed to be the world’s first blast-loaded confinement vessel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Investigation of Nanoparticle Degradation in Hydrogen Fuel Cell Systems through Automated Electron Microscopy

Proton exchange membrane fuel cells (PEMFC) are promising devices for the deployment of hydrogen-powered heavy-duty vehicles, providing a higher efficiency for similar driving range and fueling time than the existing ones. However, PEMFCs still encounter durability challenges mainly due to catalyst degradation in the cathode. Mitigating these performance losses requires a better understanding of the degradation mechanisms under heavy-duty accelerated stress tests (ASTs) [1]. Scanning transmission electron microscopy (STEM) combined with energy dispersive X-ray spectroscopy (EDS) are key tools for the analysis of Pt and PtCo nanoparticle size, spatial distribution and composition [2]. Electron tomography is also used to determine the rate and type of degradation of catalyst nanoparticles as a function of their position on the carbon support. In this work, automated data acquisition software, paired with a custom Python code, have been used to study the effect of different accelerated stress tests (ASTs) on nanoparticle coarsening [2]. Figure 1 shows high-angle annular dark-field (HAADF)-STEM images and EDS maps comparing the cathodes of membrane electrode assemblies (MEAs) following an electrocatalyst AST performed under H2/N2 with that of the heavy-duty AST performed under H2/air. We will discuss how AST conditions affect considerably the spatial distribution of the nanoparticles across the electrode between the membrane and microporous layer. Although the median particle size increased more in the MEA aged under the heavy-duty AST, as determined using a high-throughput image analysis, the quantitative EDS measurements demonstrate that the electrocatalyst AST resulted in more Pt and Co dissolution from the cathode, which is another important indicator of electrocatalyst degradation. We will further present the impact of the relative humidity (% RH) on the degradation mechanisms demonstrated using the same approach. Electron tomography has been used to distinguish the Pt nanoparticles residing on the carbon support surface (exterior) from those within the pore structure (interior) in order to determine the relative stability of interior and exterior nanoparticles. As shown in Figure 2, we will compare the Pt catalyst particle size at the beginning of test (BOT) and end of test (EOT), and discuss the importance of automating the electron tomography workflow, i.e. acquisition, reconstruction, and visualization, to increase sampling and determine the standard deviation of these measurement. The outlook for utilizing low-dose cryo-tomography for limiting damage to the catalyst, support, and especially proton-conducting ionomer will also be discussed [3].

Amichi, Lynda↗
DOE OSTI2022

The detailed chemical abundance patterns of accreted halo stars from the optical to infrared

ABSTRACT Understanding the assembly of our Galaxy requires us to also characterize the systems that helped build it. In this work, we accomplish this by exploring the chemistry of accreted halo stars from Gaia-Enceladus/Gaia-Sausage (GES) selected in the infrared from the Apache Point Observatory Galactic Evolution Experiment (APOGEE) Data Release 16. We use high resolution optical spectra for 62 GES stars to measure abundances in 20 elements spanning the α, Fe-peak, light, odd-Z, and notably, the neutron-capture groups of elements to understand their trends in the context of and in contrast to the Milky Way and other stellar populations. Using these derived abundances we find that the optical and the infrared abundances agree to within 0.15 dex except for O, Co, Na, Cu, and Ce. These stars have enhanced neutron-capture abundance trends compared to the Milky Way, and their [Eu/Mg] and neutron-capture abundance ratios (e.g. [Y/Eu], [Ba/Eu], [Zr/Ba], [La/Ba], and [Nd/Ba]) point to r-process enhancement and a delay in s-process enrichment. Their [α/Fe] trend is lower than the Milky Way trend for [Fe/H] > −1.5 dex, similar to previous studies of GES stars and consistent with the picture that these stars formed in a system with a lower rate of star formation. This is further supported by their depleted abundances in Ni, Na, and Cu abundances, again, similar to previous studies of low-α stars with accreted origins.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

The Relationship Between Dose Rate and Decay Heat for Spent Nuclear Fuel Casks

Decay heat and dose rate are two important limits used for determining the allowable contents of spent fuel (SNF) in dry storage systems and transportation packages. While the decay heat limit is used to maintain fuel cladding integrity and ensure retrievability, dose rates are used to demonstrate compliance with regulatory requirements on radiation protection. Because both dose rate and decay heat result from decay of radioisotopes in SNF, this study is an attempt to examine the relationship between dose rate and decay heat for a given cask design. Dose rates were evaluated for 198 cask configurations, that include various SNF system designs (e.g., storage, transfer, transport), SNF characteristics (e.g., fuel types, burnup, cooling time), and loading maps (e.g., uniform loading, zone loading), while a constant decay heat was maintained. The decay heat was calculated using US Nuclear Regulatory Commission (NRC) Regulatory Guide (RG) 3.54, Revision 2, and verified using ORIGEN sequence within SCALE code system. The ORIGEN outputs were used as source terms in the dose analysis using 198 different configurations. A computer script was developed to calculate the cooling time necessary to achieve a given decay heat for a given enrichment, assembly average burnup, assembly mass, and in-core history using a rootfinder algorithm. Initially the computer script was developed to provide cooling time and burnup calculations directly to the analysis of dose rates and decay heats, so a comparison between Used Nuclear Fuel-Storage Transportation and Disposal Analysis Resource Data System (UNF-ST&DARDS) results and RG3.54 data was made; results are included in the appendix to this document. However, an iterative approach was used to compute cooling time, and its accuracy did not depend on the results of the RG3.54r2 algorithm, although the algorithm was still used. The results of the evaluation presented herein clearly demonstrate that a given decay heat does not correspond to a unique dose rate for a variety of cask and package designs. There is no clear pattern to develop a correlation between decay heat and the source terms. Depending on burnup, enrichment, cask type, and loading pattern, dose rates varied for the exact same decay heat—in some cases by 400% for a given cask. For cases in which decay heat was held constant through selection of the appropriate cooling time, dose rates would decrease with increasing burnup, and in other cases, dose rates would increase. The large variation in dose rates for a constant decay heat indicates that casks loaded based on decay heat—that is allowing any burnup, cooling time, and enrichment combinations that yield the qualified decay heat limit(s) —cannot ensure that an Independent Spent Fuel Storage Installation or a spent fuel transportation package will meet the regulatory limits set forth by the respective regulations, i.e., 10 CFR 72 or 10 CFR 71.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗