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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Bayesian constraints on the origin and geology of exoplanetary material using a population of externally polluted white dwarfs

ABSTRACT White dwarfs that have accreted planetary bodies are a powerful probe of the bulk composition of exoplanetary material. In this paper, we present a Bayesian model to explain the abundances observed in the atmospheres of 202 DZ white dwarfs by considering the heating, geochemical differentiation, and collisional processes experienced by the planetary bodies accreted, as well as gravitational sinking. The majority (>60 per cent) of systems are consistent with the accretion of primitive material. We attribute the small spread in refractory abundances observed to a similar spread in the initial planet-forming material, as seen in the compositions of nearby stars. A range in Na abundances in the pollutant material is attributed to a range in formation temperatures from below 1000 K to higher than 1400 K, suggesting that pollutant material arrives in white dwarf atmospheres from a variety of radial locations. We also find that Solar System-like differentiation is common place in exoplanetary systems. Extreme siderophile (Fe, Ni, or Cr) abundances in eight systems require the accretion of a core-rich fragment of a larger differentiated body to at least a 3σ significance, whilst one system shows evidence that it accreted a crust-rich fragment. In systems where the abundances suggest that accretion has finished (13/202), the total mass accreted can be calculated. The 13 systems are estimated to have accreted masses ranging from the mass of the Moon to half that of Vesta. Our analysis suggests that accretion continues for 11 Myrs on average.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Acceleration of the Parameterization of Unified Microphysics Across Scales (PUMAS) on the Graphics Processing Unit (GPU) With Directive-Based Methods

Cloud microphysics is one of the most time-consuming components in a climate model. In this study, we port the cloud microphysics parameterization in the Community Atmosphere Model (CAM), known as Parameterization of Unified Microphysics Across Scales (PUMAS), from CPU to GPU to seek a computational speedup. The directive-based methods (OpenACC and OpenMP target offload) are determined as the best fit specifically for our development practices, which enable a single version of source code to run either on the CPU or GPU, and yield a better portability and maintainability. Their performance is first examined in a PUMAS stand-alone kernel and the directive-based methods can outperform a CPU node as long as there is enough computational burden on the GPU. A consistent behavior is observed when we run PUMAS on the GPU in a practical CAM simulation. A 3.6× speedup of the PUMAS execution time, including data movement between CPU and GPU, is achieved at a coarse horizontal resolution (8 NVIDIA V100 GPUs against 36 Intel Skylake CPU cores). This speedup further increases up to 5.4× at a high resolution (24 NVIDIA V100 GPUs against 108 Intel Skylake CPU cores), which highlights the fact that GPU favors larger problem size. This study demonstrates that using GPU in a CAM simulation can save noticeable computational costs even with a small portion of code being GPU-enabled. Therefore, we are encouraged to port more parameterizations to GPU to take advantage of its computational benefit.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Ultrafast X-ray Spectroscopy of Intersystem Crossing in Hexafluoroacetylacetone: Chromophore Photophysics and Spectral Changes in the Face of Electron-Withdrawing Groups

Intersystem crossings between singlet and triplet states represent a crucial relaxation pathway in photochemical processes. Herein, we probe the intersystem crossing in hexafluoro-acetylacetone with ultrafast X-ray transient absorption spectroscopy at the carbon K-edge. In this study, we observe the excited state dynamics following excitation with 266 nm UV light to the 1 ππ* (S 2 ) state with element and site-specificity using a broadband soft X-ray pulse produced by high harmonic generation. These results are compared to X-ray spectra computed from orbital optimized density functional theory methods. It is found that the electron-withdrawing fluorine atoms decongest the X-ray absorption spectrum by enhancing separation between features originating from different carbon atoms. This facilitates the elucidation of structural and electronic dynamics at the chromophore. The evolution of the core-to-valence resonances at the carbon K-edge reveals an ultrafast population transfer between the 1 nπ* (S 1 ) and 3 ππ* (T 1 ) states on a 1.6 ± 0.4 ps time scale, which is similar to the 1.5 ps time scale earlier observed for acetylacetone [ J. Am. Chem. Soc. 2017, 139, 16576—16583, DOI: 10.1021/jacs.7b07532]. It therefore appears that terminal fluorination has little influence on the intersystem crossing rate of the acetylacetone chromophore. In addition, the significant role of hydrogen-bond opened and twisted rotational isomers is elucidated in the excited state dynamics by comparison of the experimental transient X-ray spectra with theory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

The advanced evolution of massive stars

The nuclear rates for reactions involving 12 C and 16 O are key to computing the energy release and nucleosynthesis evolution of massive stars during their advanced burning phases. Ultimately, these burning rates shape the stellar structure and evolution and influence the nature of the compact objects produced at the end of the stellar life. We explore the implications of new nuclear reaction rates from both experimental and theoretical studies for 12 C(α, γ) 16 ​O, 12 C+ 12​ C, 12 C+ 16 ​O, and 16 O+ 16 ​O reactions for massive stars. Our goal is to investigate how the chemical structure and nucleosynthesis evolve from the He-exhaustion stage to the O-burning phase and how these processes influence the ultimate stellar fate. We computed rotating and non-rotating models for stars of different masses at solar metallicity. We used the stellar evolution code GENEC, which includes a large network of nuclear reactions and isotopes involved in advanced phases, as well as updated rates for 12 C(α,γ) 16 O. For the three fusion reactions involving 12 C and 16 O, we considered new rates following a data-driven fusion suppression scenario (hereafter HIN(RES)) and new theoretical rates obtained with time-dependent Hartree-Fock (TDHF) calculations. The updated 12 C(α, γ) 16 ​O rates mainly impact the chemical structure evolution changing the 12 C/ 16 O ratio at He-exhaustion and have little effect on the CO core mass. This variation in the 12 C/ 16 O ratio is in some cases critical for predicting the final fate of the model, which is very sensitive to 12 C abundance, and in particular the 20 M ⊙ remnant may change from a black hole to a neutron star. The He-burning (C-burning) lifetime is also decreased (increased) by about −2% (+15%). The combined new rates for 12 C+ 12 ​C and 16 O+ 16 ​O fusion reactions according to the HIN(RES) model lead to shorter C- and O-burning lifetimes by ≈ − 10%, and −50%, respectively, and shift the ignition conditions to higher temperatures and densities. In contrast, the theoretical TDHF rates primarily affect C-burning, increasing its duration by about 30% and lowering the ignition temperature. These changes modify the chemical structure of the core, the size and duration of C-burning shells, and hence their compactness. They also impact the central and shell nucleosynthesis (by ±1 dex and by factors of ±2–10, respectively), while 12 C+ 16 ​O reaction rates variations remain the least important.

abundances↗
DOE OSTI2021

Mutagenesis of Human Cytomegalovirus Glycoprotein L Disproportionately Disrupts gH/gL/gO over gH/gL/pUL128-131

Herein, cell-free and cell-to-cell spread of herpesviruses involves a core fusion apparatus comprised of the fusion protein glycoprotein B (gB) and the regulatory factor gH/gL. The human cytomegalovirus (HCMV) gH/gL/gO and gH/gL/pUL128-131 facilitate spread in different cell types. The gO and pUL128-131 components bind distinct receptors, but how the gH/gL portions of the complexes functionally compare is not understood. We previously characterized a panel of gL mutants by transient expression and showed that many were impaired for gH/gL-gB-dependent cell-cell fusion but were still able to form gH/gL/pUL128-131 and induce receptor interference. Here, the gL mutants were engineered into the HCMV BAC clones TB40/e-BAC4 (TB), TR, and Merlin (ME), which differ in their utilization of the two complexes for entry and spread. Several of the gL mutations disproportionately impacted gH/gL/gO-dependent entry and spread over gH/gL/pUL128-131 processes. The effects of some mutants could be explained by impaired gH/gL/gO assembly, but other mutants impacted gH/gL/gO function. Soluble gH/gL/gO containing the L201 mutant failed to block HCMV infection despite unimpaired binding to PDGFRα, indicating the existence of other important gH/gL/gO receptors. Another mutant (L139) enhanced the gH/gL/gO-dependent cell-free spread of TR, suggesting a “hyperactive” gH/gL/gO. Recently published crystallography and cryo-electron microscopy studies suggest structural conservation of the gH/gL underlying gH/gL/gO and gH/gL/pUL128-131. However, our data suggest important differences in the gH/gL of the two complexes and support a model in which gH/gL/gO can provide an activation signal for gB.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

SPND Sensitivity Calculations Using MCNP and Experimental Data from ACRR

The use of the Monte Carlo N-Particle Transport Code (MCNP) to calculate detector sensitivity for Self-Powered Neutron Detectors (SPNDs) in the Annular Core Research Reactor (ACRR) could be a vital tool in the effort to optimize the design of next-generation SPNDs. Next-generation SPND designs, which consider specific materials and geometry, may provide experimenters with capabilities for advanced mixed field dosimetry. These detectors will need to be optimized for configuration, materials, and geometries and the ability to model and iterate must be available in order to decide on the ideal. SPND design. SPNDs were modeled in MCNP which closely resembled the dimensions and location of actual detectors used in the ACRR. Tallies were used to calculate detector sensitivity. Using metrics from a previous report, oscilloscope data from pulses were manipulated in a Matrix Laboratory computing environment (MATLAB) script to calculate experimental detector sensitivity. This report outlines the process in which experimental data from ACRR pulses verified results from tallies in an MCNP ACRR model. The sensitivity values from experiments and MCNP calculations agreed within one standard deviation. Parametric studies were also performed with MCNP to investigate the effects of materials and dimensions of different SPNDs.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

(CrMnCoNiZn) 3 O 4 @PPy core-shell nanocomposite with excellent electrochemical performance as lithium-ion battery anode

High entropy oxides (HEOs) have an excellent potential for use as electrode materials in lithium-ion batteries (LIBs) due to their high theoretical specific capacity. In this work, spinel-structured (CrMnCoNiZn) 3 O 4 HEO nanoparticles with five elements in equal molar ratio is first generated by solution combustion method. (CrMnCoNiZn) 3 O 4 @polypyrrole (PPy) nanocomposites are prepared by in-situ polymerization method. As an anode for lithium-ion batteries, the electrochemical performance of the (CrMnCoNiZn) 3 O 4 @PPy composite outperforms that of (CrMnCoNiZn) 3 O 4 nanoparticles. The capacity is 802 mAh/g after 100 cycles at a current density of 100 mA/g, 416 mAh/g after 1000 cycles at a high current density of 1 A/g, and 360 mAh/g rate capacity at 2 A/g. The excellent electrochemical performance of the composites is mainly due to the fact that the conductive and flexible PPy is encapsulated on the high-entropy oxides, which can alleviate the volume change triggered by extraction-insertion of lithium ions process, as well as enhance the electrical conductivity and reduce the occurrence of some side reactions. Finally, this method of compositing materials can also be used in other HEOs and conductive polymers, providing a new idea to enhance the electrochemical properties of HEOs.

25 ENERGY STORAGE↗
DOE OSTI2020

Colloidal Synthesis Path to 2D Crystalline Quantum Dot Superlattices

By combining colloidal nanocrystal synthesis, self-assembly, and solution phase epitaxial growth techniques, we developed a general method for preparing single dot thick atomically attached quantum dot (QD) superlattices with high-quality translational and crystallographic orientational order along with state-of-the-art uniformity in the attachment thickness. The procedure begins with colloidal synthesis of hexagonal prism shaped core/shell QDs (e.g., CdSe/CdS), followed by liquid subphase self-assembly and immobilization of superlattices on a substrate. Solution phase epitaxial growth of additional semiconductor material fills in the voids between the particles, resulting in a QD-in-matrix structure. The photoluminescence emission spectra of the QD-in-matrix structure retains characteristic 0D electronic confinement. Importantly, annealing of the resulting structures removes inhomogeneities in the QD–QD inorganic bridges, which our atomistic electronic structure calculations demonstrate would otherwise lead to Anderson-type localization. The piecewise nature of this procedure allows one to independently tune the size and material of the QD core, shell, QD–QD distance, and the matrix material. These four choices can be tuned to control many properties (degree of quantum confinement, quantum coupling, band alignments, etc.) depending on the specific applications. Lastly, cation exchange reactions can be performed on the final QD-in-matrix, as demonstrated herein with a CdSe/CdS to HgSe/HgS conversion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Vibro-acoustic modulation and data fusion for localizing alkali–silica reaction–induced damage in concrete

This article investigates the application of vibro-acoustic modulation testing for diagnosing damage in concrete structures. The vibro-acoustic modulation technique employs two excitation frequencies on a structure. The interaction of these excitations in the measured response indicates damage through the presence of sidebands in the frequency spectra. Past studies using this technique have mostly focused on metals and composites (thin plates or laminates). Our research focuses on concrete, which is a highly heterogeneous material susceptible to a variety of chemical, physical, and mechanical damage processes. In particular, this article investigates diagnosing cracking in concrete from an expansive gel produced by an alkali–silica reaction in the presence of moisture. Past studies have been limited to damage detection using vibro-acoustic modulation testing, whereas this article extends the technique to damage localization. A cement slab with pockets of reactive aggregate is used to investigate the diagnosis technique. The effects of different testing parameters, such as locations, magnitudes, and frequencies of the two excitations, are analyzed and incorporated in the damage localization methodology. A Bayesian probabilistic methodology is developed to fuse the information from multiple test configurations in order to construct damage probability maps for the test specimen. The results of vibro-acoustic modulation–based damage localization are validated by petrographic study of cores taken from the slab.

Karve, Pranav↗
DOE OSTI2022

Towards a Benchmark Experiment with the Compact Nuclear Power Source

The Compact Nuclear Power Source (CNPS) was a high-assay low enriched uranium (HALEU) tristructural isotropic (TRISO)-fueled, graphite-moderated microreactor constructed in 1987 at Los Alamos National Laboratory. The reactor, conceived as a power source for short-range radar stations, was designed to be "walk-away safe," and was cooled by heat pipes and ambient air. Though the project was formally cancelled after the fuel and moderator material had been received, its potential to meaningfully advance the body of critical and integral data was evident, and critical experiments with a mock-up of the reactor proceeded at TA-18 until its disassembly in 1991. The reflector and some components of the core would later go on to see service as part of the New Production Reactor Modular High-Temperature Gas-Cooled Reactor (NP-MHTGR) critical experiments. In light of the progress made by groups like Westinghouse and X-Energy towards contemporary graphite-moderated microreactors, the system remains an attractive candidate for the basis of a benchmark experiment even today. Uncertainties remain, however, in some features of the system–inconsistencies in the dimensions and composition of the reactor’s components as described in literature and implemented in current computational models. The identification, quantification, and to the extent possible, the minimization of these uncertainties is a crucial task on the path towards creating a benchmark based on the CNPS system. The present work seeks to initiate this process with a survey of available documentation and improvements to the accuracy of CNPS neutronics models.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Characterization of Fe-6Si Soft Magnetic Alloy Produced by Laser-Directed Energy Deposition Additive Manufacturing

Abstract Commercial electrical steels, Fe-Si alloys with < 4 wt.% Si, are inexpensive and efficient materials for electrical power conversion. Further efficiency improvements require increasing the silicon concentration to 6 wt.%, at which point the material becomes brittle and difficult to form by conventional rolling and sheet fabrication methods. Additive manufacturing stands to overcome challenges with commercial manufacturing techniques by leveraging near-net-shape fabrication. The wide array of process conditions provides additive manufacturing with increased flexibility, enabling control over the microstructure and mechanical properties. This work explores the microstructures and magnetic properties of ring-shaped Fe-Si alloys produced using concentric and cross-hatch tool paths on a laser-directed energy deposition additive manufacturing system. Concentric-built samples exhibit elongated grain structures while cross-hatch-built samples comprise lower aspect ratio grain structures. Thermal finite element analysis simulations model the stress conditions produced by the different scan path geometries. Microhardness measurements probe the mechanical properties as a function of anneal temperature, providing a qualitative understanding of the intergranular defect density. Soft magnetic properties measured under quasistatic and AC conditions show frequency- and microstructure-dependent coercivity and permeability. Finally, analysis of the core loss quantifies how the build strategies and thermal treatments influence efficiency in electrical power conversion applications. Understanding the influences of scan path geometry and thermal treatment provides a pathway towards application of additively manufactured soft magnetic materials.

Adamczyk, Jesse M.↗
DOE OSTI2021

Design and Optimization of a 200-kW Medium-Frequency Transformer for Medium-Voltage SiC PV Inverters

This paper presents a design and optimization methodology for a 200-kW medium-frequency transformer (MFT) based on low-loss magnetic core (FINEMET FT-3TL). The proposed optimal design methodology consists of predesign, preliminary design, and optimal design. In the preliminary design, the parallel-concentric winding structure is selected to increase the current carrying capability and reduce the leakage inductance. Based on the parallel-concentric winding concept, a novel cooing and insulation structure with 3-D printed bobbins are proposed. The optimal designed MFT prototype achieves a power density higher than 19.23 kW/L. The electrical insulation system is tested at 12 kV ac peak voltage. In addition, the partial discharge (PD) test is conducted at 7.5 kV ac peak voltage to ensure the PD-free design. The high-frequency bipolar pulsewidth modulation voltage insulation (PD) test is the first time applied in MFT design and test process. Finally, the transformer is applied in a dual-active-bridge (DAB) converter with 200 kW rated power. The peak efficiency of the DAB converter is 99.53%, and the efficiency at 200 kW is 98.85%. The peak efficiency of MFT is 99.844%, and the efficiency at 200 kW is 99.842%.

42 ENGINEERING↗
DOE OSTI2021

Metabolic Differentiation of Co-occurring Accumulibacter Clades Revealed through Genome-Resolved Metatranscriptomics

Natural microbial communities consist of closely related taxa that may exhibit phenotypic differences and inhabit distinct niches. However, connecting genetic diversity to ecological properties remains a challenge in microbial ecology due to the lack of pure cultures across the microbial tree of life. “Candidatus Accumulibacter phosphatis” (Accumulibacter) is a polyphosphate-accumulating organism that contributes to the enhanced biological phosphorus removal (EBPR) biotechnological process for removing excess phosphorus from wastewater and preventing eutrophication from downstream receiving waters. Distinct Accumulibacter clades often coexist in full-scale wastewater treatment plants and laboratory-scale enrichment bioreactors and have been hypothesized to inhabit distinct ecological niches. However, since individual strains of the Accumulibacter lineage have not been isolated in pure culture to date, these predictions have been made solely on genome-based comparisons and enrichments with varying strain compositions. Here, we used genome-resolved metagenomics and metatranscriptomics to explore the activity of coexisting Accumulibacter strains in an engineered bioreactor environment. We obtained four high-quality genomes of Accumulibacter strains that were present in the bioreactor ecosystem, one of which is a completely contiguous draft genome scaffolded with long Nanopore reads. We identified core and accessory genes to investigate how gene expression patterns differed among the dominating strains. Using this approach, we were able to identify putative pathways and functions that may confer distinct functions to Accumulibacter strains and provide key functional insights into this biotechnologically significant microbial lineage.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

HBMax: Optimizing Memory Efficiency for Parallel Influence Maximization on Multicore Architectures

The goal of influence maximization is to select k most-influential vertices or seeds in a network, where influence is defined by a given diffusion process. The problem has a number of important applications such as viral marketing, information spread, and epidemic control. Although computing optimal seed set is NP-Hard, due to the submodular nature of the problem efficient approximation algorithms exist. However, even state-of-the-art parallel implementations are limited by a sampling step that incurs large memory footprints. This in turn limits the problem size reach and approximation quality. In this work, we study the memory footprint of the sampling process collecting reverse reachability information in the IMM algorithm over large real-world social networks. We present an adaptive and memory-efficient optimization approach for a state-of-the-art multi-threaded parallel influence maximization algorithm. Our approach,HuffMax, uses a portion of the reverse reachable (RR) sets collected by the algorithm to learn the characteristics of the graph. Then, it compresses the intermediate reverse reachability information with Huffman coding, and queries directly on the compressed data to preserve the memory savings obtained through compression. We also propose an efficient sampling strategy based on the distribution of RR sets, which can further reduce the computation time for typical social networks with long-tail distributions. Considering a NUMA architecture, we scale up our solution on 128-core CPUs and reduce the memory footprint by up to 45.7% with negligible time overhead (or even faster) and without perceivable loss of accuracy.

Chen, Xinyu↗
DOE OSTI2024

Ultra-intense femtosecond laser interactions with aligned nanostructures

The interaction of ultrafast laser pulses of relativistic intensity with high aspect ratio nanostructures can efficiently and volumetrically heat matter to an ultra-high-energy-density regime encountered in the center of stars and within the core of fusion capsules compressed by the world’s largest lasers. It also generates gigantic quasi-static electromagnetic fields that accelerate particles to very high energy. Here, we present an overview of the physics and applications of these dense relativistic plasmas that can be created with pulses of relatively modest energy from lasers that can operate at a high repetition rate. Recent nanowire array experiments produced near-solid density plasmas with an extreme degree of ionization (e.g., Au +72 ), converted ultrafast pulses of laser light into intense x-ray flashes with record efficiency, and accelerated ions to MeV energies, efficiently driving micro-scale fusion reactions that generate flashes of quasi-monoenergetic neutrons. These plasmas also serve as a platform for advancing the understanding of atomic processes in extreme environments and open a new pathway to laser-driven fusion energy. The irradiation of nanostructures at intensities of > 1 x 10 22 W cm –2 is predicted to lead to an extreme ultra-high energy density plasma regime characterized by terabar pressures that is virtually unexplored.

Optics↗
DOE OSTI2020

Pressure-temperature effects on knock with iso-octane and propane at various compression ratios and intake temperatures

Knock remains one of the main limitations for increased internal combustion engine efficiency. Recent trends in light-duty vehicles towards downsized, boosted engines increases the need for improving the understanding between fuel chemistry and thermodynamic effects contributing to knock. Previous studies have shown the importance of end-gas thermodynamic conditions on knock onset and behavior, with relationships to fuel chemistry illustrated. However, a complete understanding of how fuels allow access to higher engine loads and the governing physics behind end-gas knock under a wide range of thermodynamic conditions is still unclear. Experiments in this work improve this understanding with the use of three fuels (1) iso-octane, a low octane sensitivity (OS) fuel (2) a Co-Optima aromatic core fuel, which has similar research octane number (RON) yet significantly higher OS, and (3) propane, known for its knock resistance. Engine load sweeps are conducted with each fuel while maintaining a CA50 of 8 crank angle degrees after top dead center (°CA aTDCf). As load increases and knock onset is observed, spark is delayed to its knock limited spark advance (KLSA) allowing further increases in load until either one of two limits is reached; (1) CA50 retard limit (2) Peak cylinder pressure limit. Experiments are conducted at 40°C and 90°C intake temperature and at two distinct compression ratios (rc) 9.2:1 and 13.6:1. Two-zone zero-dimensional simulations were performed in Chemkin to extract end-gas pressure and temperature conditions through the combustion process for each experimental condition of interest. CA50 response as a function of engine load is compared for all experimental conditions and fuels, and a pressure-temperature (PT) trajectory analysis is conducted using constant volume ignition delay contours to explain the behavior of each fuel.

Dal Forno Chuahy, Flavio↗
DOE OSTI2020

Development and Implementation of a CTF Code Verification Suite.

CTF is a thermal hydraulic subchannel code developed to predict light water reactor (LWR) core behavior. It is a version of Coolant Boiling in Rod Arrays (COBRA) developed by Oak Ridge National Laboratory (ORNL) and North Carolina State University (NCSU) and used in the Consortium for the Advanced Simulation of LWRs (CASL). Here, the existing CTF code verification matrix is expanded, which ensures that the code is a faithful representation of the underlying mathematical model. The suite of code verification tests are mapped to the underlying conservation equations of CTF and significant gaps are addressed. As such, five new problems are incorporated: isokinetic advection, conduction, pressure drop, convection, and pipe boiling. Convergence behavior and numerical errors are quantified for each of the tests and all tests converge at the correct rate to their corresponding analytic solution. A new verification utility that generalizes the code verification process is used to incorporate these problems into the CTF automated test suite.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Westinghouse Accident Tolerant Fuel Phase 2B with Higher Enriched and Higher Burnup Add-On Project Final Technical Report Deliverable Volume 1

The Westinghouse Electric Company LLC (Westinghouse) accident tolerant fuel (ATF) program funded by Westinghouse and the US Department of Energy (DOE) utilized chromium (Cr) coated zirconium alloy cladding with doped UO 2 (ADOPT(TM)) and uranium silicide (U 3 Si 2 ) high density/high thermal conductivity fuel for its lead test rod (LTR) program with irradiation beginning in 2019. ADOPT is a Cr 2 O 3 +Al 2 O 3 doped UO 2 pellet with increased oxidation resistance and density, and increased resistance to fission gas release. Due to the issues with U 3 Si 2 fuel reaction in pressurized water reactor (PWR) environments, uranium nitride (U 15 N) has been substituted for U 3 Si 2 as a long-term fuel option. Cr coated cladding with ADOPT fuel is the near-term Westinghouse EnCore fuel product. The long-term EnCore ® fuel product is SiGA ® SiC/SiC composite cladding with high density/high thermal conductivity UN fuel. In 2020, the higher burnup and higher enriched and (HBHE) program was integrated into the ATF program. The objective of this expanded program is to extend ATF burnups to at least 75 MWd/kgU to economically facilitate 24-month cycles in PWRs. The ATF program now includes ADOPT fuel with enrichments >5% 235 U. Over the past several years, Westinghouse has tested the Cr coated zirconium (Zr) and silicon carbide (SiC) claddings in Westinghouse Churchill autoclaves and the Massachusetts Institute of Technology (MIT) reactor. Additionally, the Cr coated cladding has been tested in the Advanced Test Reactor (ATR) at Idaho National Laboratory (INL) and in LTR programs at the Doel 4 and Bryon 2 commercial reactors. High temperature tests at the state-of-the-art Westinghouse facilities in Churchill, PA and at Karlsruhe Institute of Technology (KIT) have been carried out to determine the time and temperature limits for the Cr coated zirconium claddings. These tests indicate that Cr coated Zr cladding can take temperatures up to about 1500°C for short periods of time without becoming totally oxidized. The main issue is the formation of the Cr-Zr eutectic at 1333°C resulting in the migration of this eutectic inward with the formation of ZrCr 2 which rapidly oxidizes to ZrO 2 on the outside of the tube. The Cr coated Zr cladding also delays the bursting of the tube, reduces the burst area, and reduces hydriding and embrittlement of the Zr which is a major benefit for reducing fuel fragmentation, redistribution, and dispersal (FFRD), the major licensing issue faced by HBHE. The manufacturing parameters for the SiC have been found to have a significant effect on the corrosion rate of the SiC in light water reactor (LWR) conditions and significant improvements have been made in the yield, quality, and oxidation resistance of the SiC cladding by identifying and tightening manufacturing process parameters. Current autoclave results for SiC composite claddings indicate that a corrosion rate of fewer than 2 micrometers per year can be achieved which meets corrosion requirements under normal operating conditions. High temperature steam oxidation tests at the state-of-the-art Westinghouse facilities in Churchill, PA and at Karlsruhe Institute of Technology (KIT) have been carried and determined that SiC cladding can withstand temperatures up to about 1800°C to 1900°C before excessive corrosion reactions begin, and that the SiC will not balloon and burst. ADOPT fuel pellets were incorporated into the Westinghouse ATF program because of their increased density and oxidation resistance. A topical report supporting the use of ADOPT pellets has been submitted to the NRC and will be approved shortly. ADOPT pellets have been a product in Europe for over 15 years. The additives work to make larger grain sizes which appear to reduce fission gas release during transients as well as increase the density of the pellet. Fuel rod and assembly design in preparation for the lead test rod (LTR) and lead test assembly (LTA) programs is underway as well as licensing efforts with the Nuclear Regulatory Commission (NRC). Finally, accident analyses coupled with economic evaluations for both operating savings as well as fuel savings have been initiated. Modular Accident Analysis Program 5 (MAAP5) calculations indicate that both Cr coated cladding and SiC composite cladding can increase the time to fuel rod loss of geometry for up to two hours longer than current Zr based cladding in a station blackout scenario. This additional time is due to the much higher oxidation resistance of the SiC and Cr coated cladding. These two hours can be used to implement additional response options instituted through the Diverse and Flexible Mitigation Capability (FLEX) program by reactor operators. Both ATF cladding options also reduce hydrogen production which dramatically reduces primary system and containment pressure and the risk of fission product release beyond containment in the unlikely event of an accident. The lower pressure in the system allows more time to feed cooling water to the core, resulting in the avoidance of fuel melting. The coping time is extended indefinitely if the modest water flow provided by FLEX continues. Experimental work on methods to rapidly fabricate SiC composite structures with high density and reduce the fabrication price of SiC fibers while maintaining a high level of performance is needed. Methods for mitigating or stopping the Cr-Zr eutectic are also needed to further improve the oxidation resistance of Cr coated Zr. Minimal (<1%) swelling of U 3 Si 2 and subsequent fission gas release has been demonstrated up to 20 MWd/kgU. Irradiation experiments with U 3 Si 2 fuel in ATR to determine these properties at 40 MWd/kgU were completed but post irradiation examinations were not done since U 3 Si 2 has been replaced by UN. UN has three issues that are being addressed. The first is increasing the oxidation resistance so that there is not excessive reaction up to ~1500°C. While UN increases the pellet density and additives to the UN postponed the temperature at which rapid oxidation occurred by ~100°C to 200°C, this is not enough, and pellet coating options are now being pursued. The second is developing a method to manufacture that does not require the multi-step process of UF 6 to UO 2 to UC to UN. Efforts are underway looking at UF 6 to UN 2 to UN and UF 6 to UF 4 to UN 2 to UN reactions. Finally, an economically acceptable process for potentially enriching the 15 N content of the nitrogen used to make UN to >95% 15N was identified though not experimentally validated. In addition to the work supported by the DOE, research and testing activities are being carried on in a world-wide effort funded by many countries such as Sweden, United Kingdom, Belgium, Netherlands, Spain, Germany, Japan, and France. This work is being facilitated through the Westinghouse led Collaboration for Advanced Research on Accident Tolerant Fuel (CARAT) program. Annual meetings were organized in 2018 and 2019 by Westinghouse as a venue for presentation of this work and to provide for the cross-fertilization of ideas among the many outstanding researchers in the ATF area. No meetings were held in 2020 and 2021 due to the COVID-19 related restrictions on traveling and gatherings. Since SiC, coated cladding, and high-density fuel options are not currently used in the nuclear industry; support from the government and industry members is needed to further the significant effort of setting new standards. The same is true for the Nuclear Regulatory Commission (NRC) which must review and approve the commercial use of these new fuels since all current regulations are oriented toward Zr/UO 2 fuel. Several meetings have been held with the NRC to generate a fast-track approach to licensing ATF using a combination of atomic modeling, in-rod sensors, and in-reactor testing. This approach was memorialized in an “Accelerated Fuel Qualification White Paper” prepared by the Accelerated Fuel Qualification Working Group lead by General Atomics.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗