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At least 1,423 records · Page 79

The effect of local chemical ordering on Frank-Read source activation in a refractory multi-principal element alloy

In this work, we investigate the operation of Frank-Read (FR) sources in a refractory multi-principal element alloy (MPEA). Simulations of discrete dislocation motion in MPEAs is enabled by the development of a phase field dislocation dynamics model that treats the atomic-scale fluctuations in lattice energies across the glide plane, present due to local ordering in the chemical composition within the nominally random MPEA atomic structure. We consider, through simulation, a range of length scales over which ordering occurs, varying from short-range lengths, a few times dislocation core width, to long-range lengths, an order of magnitude longer than the core. Characteristic of this body-centered cubic MPEA, the simulations also include screw/edge character dependence in glide resistance, as informed by atomic scale simulation. The critical stresses to activate the source for the same source size are found to be statistically distributed, as a direct consequence of the underlying variation in lattice energy. Furthermore, analysis of critical state for activating edge and screw FR sources in the MPEA reveals that FR source operation occurs via a two-step mechanism, involving athermal kink-pair formation, unlike the conventional FR source operation in a material with no composition fluctuations. This mechanism lowers the average critical stress required to activate the FR source and causes the statistical dispersion in critical stress to depend on the range of composition ordering. More importantly, it leads to a more severe dependence of source strength on FR source length than predicted by line tension alone.

36 MATERIALS SCIENCE↗

Antibacterial ADP-ribosyl cyclase toxins inhibit bacterial growth by rapidly depleting NAD(P) +

In metazoans, enzymes belonging to the bifunctional ADP-ribosyl cyclase/cyclic ADP-ribose (cADPr) hydrolase family regulate diverse cellular processes by synthesizing and hydrolyzing the intracellular second messenger cADPr, derived from the electron carrier NAD+. However, bacterial enzymes belonging to this family have not been characterized. Here, we identify a bacterial ADP-ribosyl cyclase that is associated with the type VII secretion system and functions as an antibacterial toxin. This enzyme, which we name Tac1, inhibits bacterial growth by rapidly hydrolyzing NAD+ and NADP+. We determine the X-ray crystal structure of Tac1 to a resolution of 1.4 Å, which reveals that this protein adopts the core catalytic fold of metazoan ADP-ribosyl cyclase enzymes such as CD38. Using a combination of biochemical and mutagenesis approaches, we identify catalytic residues within the active site of Tac1, which are responsible for the formation of a cADPr catalytic intermediate and subsequent hydrolysis of this intermediate into linear ADP-ribose. A bioinformatic analysis reveals that Tac1 is the founding member of a widespread family of bacterial ADP-ribosyl cyclase enzymes, many of which are associated with interbacterial conflict systems. We also identify enzymes in this family that are not associated with biological conflict systems and demonstrate that they produce cADPr as their major product rather than linear ADP-ribose, suggesting that these enzymes serve a biological function distinct from interbacterial antagonism. Together, these findings demonstrate that ADP-ribosyl cyclase/cADPr hydrolase enzymes function as toxins in diverse bacterial conflict systems and suggest that cADPr may play a previously overlooked role in bacterial physiology.

Colautti, Jake↗

Isomers and band assignments in the cryogenic vibrational spectrum of the binary complex between water and protonated formic acid using two color, IR–IR photobleaching and H/D isotopic substitution

Protonated formic acid (PFA) is purported to be the active species in the catalytic activation of condensation reactions at the acidic interface of microdroplets. Here, we investigate the fundamental interaction between PFA and water with cryogenic ion vibrational spectroscopy of the binary PFA–H 2 O complexes generated via electrospray ionization followed by buffer gas cooling to about 20 K. The patterns displayed by the isomer-specific IR spectra of D 2 -tagged PFA–H 2 O indicate that two distinct, non-interconverting rotamers are present at low temperatures based on the cis and trans structures of the HCO 2 $H$$^{+}_{2}$ core ion. Both of these occur with the water molecule attached to the OH that is in a cis-configuration relative to the CH group (denoted E), but differ in the E vs Z (cis vs trans relative to the CH group) orientation of the spectator OH. This assignment scheme corrects a previous theoretical analysis that invoked a scenario in which structures with E- and Z-bound water molecules interconvert at low (20 K) temperatures. Isomer-specific bands arising from the OH stretches and water bending modes are deconvoluted using isotopomer-specific spectroscopy of the complexes with partial H/D exchange. The dependence of the nominal shared proton OH stretch frequency on the deuteration of the tethered water confirms strong coupling between this mode and the water bending fundamental.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Lower bound for the neutrino magnetic moment from kick velocities induced at the birth of neutron stars

We show that the neutrino chirality flip, which can take place in the core of a neutron star at birth, is an efficient process to allow neutrinos to anisotropically escape, thus providing a to induce the neutron star kick velocities. The process is not subject to the no-go theorem since although the flip from left- to right-handed neutrinos happens at equilibrium, the reverse process does not take place given that right-handed neutrinos do not interact with matter and therefore detailed balance is lost. For simplicity, we model the neutron star core as being made of strange quark matter. We find that the process is efficient when the neutrino magnetic moment is not smaller than [Formula: see text], where [Formula: see text] is the Bohr magneton. When this lower bound is combined with the most stringent upper bound, which uses the luminosity data obtained from the analysis of SN 1987A, our results set a range for the neutrino magnetic moment given by [Formula: see text]. The obtained kick velocities for natal conditions are consistent with the observed ones and span the correct range of radii for typical magnetic field intensities.

Physics↗

Hydraulic fracturing experiments at 1500 m depth in a deep mine: Highlights from the kISMET project

In support of the U.S. DOE SubTER Crosscut initiative, we established a field test facility in a deep mine and designed and carried out in situ hydraulic fracturing experiments relevant to enhanced geothermal systems (EGS) in crystalline rock to characterize the stress field, understand the effects of rock fabric on fracturing, and gain experience in monitoring using geophysical methods. The project also included pre- and post-fracturing simulation and analysis, and laboratory measurements and experiments. The kISMET (permeability (k) and Induced Seismicity Management for Energy Technologies) site was established in the West Access Drift of the Sanford Underground Research Facility (SURF) 4757 ft (1450 m) below ground (on the 4850 ft level (4850L)) in phyllite of the Precambrian Poorman Formation. We drilled and continuously cored five near-vertical boreholes in a line on 3 m (10 ft) spacing, deviating the two outermost boreholes slightly to create a five-spot pattern around the test borehole centered in the test volume 40 m below the drift invert (floor) at a total depth of ~1490 m (4890 ft). Laboratory measurements of core from the center test borehole showed P-wave velocity heterogeneity along each core indicating strong, fine-scale (~1 cm or smaller) changes in the mechanical properties of the rock. Field measurements of the stress field by hydraulic fracturing showed that the minimum horizontal stress at the kISMET site averages 21.7 MPa (3146 psi) trending approximately N-S (356 degrees azimuth) and plunging slightly NNW at 12°. The vertical and horizontal maximum stresses are similar in magnitude at 42-44 MPa (6090-6380 psi) for the depths of testing, which averaged approximately 1530 m (5030 ft). Hydraulic fractures were remarkably uniform suggesting core-scale and larger rock fabric did not play a role in controlling fracture orientation. Analytical solutions suggest that the fracture radius of the large fracture (stimulation test) was more than 6 m (20 ft), depending on the unknown amount of leak-off.

Oldenburg, C↗

Demonstration of CFD to support the coupled analysis of a reactor pressure vessel subjected to pressurized thermal shock

The structural components that comprise nuclear reactors and their supporting structures are subjected to harsh operating environments that can challenge their integrity, especially after exposure for extended duration or under accident condition. As one of the most significant components of a reactor, the Reactor Pressure Vessel (RPV) is exposed to an aggressive environment during the operation time (e.g. more than 40 years). Aging degradation mechanisms (e.g. thermo-fatigue) could grow initial defects up to a critical size, increasing the susceptibility to failure in the RPV. The conventional methods are mostly based on simple crack and structure geometries. Very limited studies consider the real conditions of the RPV subjected to a thermal shock due to a Loss of Coolant Accident (LOCA). During a LOCA event, the most severe conditions take place when the emergency core cooling (ECC) water is injected inside the cold legs filled initially with hotter water and/or steam. The rapid cooling of the down-comer and the internal RPV surface followed probably by re-pressurization of the RPV causes large temperature gradients and variation of pressure which induces thermal-mechanical stresses. In order to develop the model for integrity assessment of a reactor pressure vessel (RPV) subjected to pressurized thermal shock (PTS), a multi-physics simulation, which includes the thermo-hydraulic, thermo-mechanical and fracture mechanics analyses is necessary. The prediction of the temperature field is achieved by using computational fluid dynamics (CFD) simulation. In this report, a demonstration CFD standalone simulation is performed to support coupled analysis for Reactor Pressure Vessel (RPV) subjected to Pressurized Thermal Shock (PTS). The study use a simplified computational domain to represents a real RPV. The purpose of the study is to demonstrate the transient temperature response of RPV to ECC injection. The CFD model is built in a robust and efficient way for further coupled calculation. The next steps of this work, including the coupled thermal and tensor mechanics capabilities using Cardinal are expected to be complete by the end of FY21 for the demo problem. After this, into FY22, the capability will be demonstrated for a realistic RPV.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Model Package Report: Composite Analysis Solid Waste Release Model (CASWR Model)

This document describes the implementation of a solid waste form release model in GoldSim for the Hanford Site Composite Analysis (CA) Update. This Composite Analysis Solid Waste Release model (CASWR model) was designed to generate deterministic radionuclide release rates for Hanford’s Central Plateau solid waste disposal sites using single realizations of release model coefficients. Five generalized waste form types are used for the conceptual model of waste release: surplus reactor block, cement, soil-debris, grouted residual waste, and ancillary equipment. The surplus reactor block waste form consists of radionuclide leaching from surplus production graphite reactor core blocks via unspecified processes (White et al., 1984 as cited in PNNL-15965). The cement waste form represents solidified wastes whose permeability is much lower than that of the surrounding soil. The soil-debris waste form type is defined as unconsolidated waste mixed with soil material. Tanks and canyon complexes comprise the grouted residual waste form such that their solid waste will be grouted and capped with a surface barrier at the completion of their cleanup. Finally, the ancillary equipment waste form constitutes contaminant releases from ancillary and auxiliary waste form residues associated with tank farms at closure. Individual sub-models are implemented to numerically represent a respective waste form within the CASWR Model: Surplus Reactor Block Sub-model, Cement Sub-model, SoilDebris Sub-model, Grouted Residual Waste Sub-model, and Ancillary Equipment Submodel. Advection is assumed to be the primary transport process governing the release of radionuclides in the Ancillary Equipment and Soil-Debris Sub-models. Diffusion is assumed to be the primary release process in the Grouted Residual Waste and Cement Sub-models. An unspecified zero-order release process is considered in the Surplus Reactor Block Sub-model due to the lack of information regarding actual processes involved in irradiated graphite leaching. The Surplus Reactor Block, Cement, and SoilDebris Sub-models were compared against analytical solutions (PNNL-11800, Composite Analysis for Low-Level Waste Disposal in the 200 Area Plateau of the Hanford Site). The agreement between results of these analytical solutions and the corresponding waste form models verified their correct implementation in GoldSim. A 1-D modeling abstraction approach for the Grouted Residual Waste and Ancillary Equipment Sub-models was adopted from existing Performance Assessment (PA) models. Despite the simplifications made in these sub-models, they were found to be appropriate representations of the waste forms, similar to what was used in the Waste Management Area C PA model (RPP-ENV-58782, Performance Assessment of Waste Management Area C, Hanford Site, Washington, Rev. 0). A sensitivity analysis was conducted to identify the most influential parameters in each waste form sub-model. Suggestions for considering pH-dependent and redox-dependent release mechanisms are formulated through the development of a conditional constant approach in GoldSim.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Two-zone stratified wetwell model development and implementation for RELAP-7

The Reactor Core Isolation Cooling (RCIC) system consists of a turbine, pump and wetwell and is used in many US Boiling Water Reactors (BWRs) as an important heat removal system. The wetwell is a major heat sink within containment. Experimental investigations have shown that thermal stratification may occur in the wetwell during RCIC operation. Current systems-level analysis codes lack stratified wetwell models. Here, this paper describes the development of a stratified wetwell model for the RELAP-7 code. This paper uses a simple two-zone model for the wetwell water that can capture thermal stratification. This model assumes that a buoyant plume transports heat and mass from the steam injection site to the upper water zone. The buoyant plume assumption requires that steam is injected at a low enough rate so it adds negligible momentum. Model validation against experimental data shows similar trends of temperature field development in the suppression pool.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Characterizing, Modeling, and Accurately Simulating Power and Energy Consumption of I/O-intensive Scientific Workflows

While distributed computing infrastructures can provide infrastructure-level techniques for managing energy consumption, application-level energy consumption models have also been developed to support energy-efficient scheduling and resource provisioning algorithms. In this work, we analyze the accuracy of a widely-used application-level model that has been developed and used in the context of scientific workflow executions. To this end, we profile two production scientific workflows on a distributed platform instrumented with power meters. We then conduct an analysis of power and energy consumption measurements. This analysis shows that power consumption is not linearly related to CPU utilization and that I/O operations significantly impact power, and thus energy, consumption. We then propose a power consumption model that accounts for I/O operations, including the impact of waiting for these operations to complete, and for concurrent task executions on multi-socket, multi-core compute nodes. We implement our proposed model as part of a simulator that allows us to draw direct comparisons between real-world and modeled power and energy consumption. Here, we find that our model has high accuracy when compared to real-world executions. Furthermore, our model improves accuracy by about two orders of magnitude when compared to the traditional models used in the energy-efficient workflow scheduling literature.

97 MATHEMATICS AND COMPUTING↗

An ultrahigh-resolution E3SM land model simulation framework and its first application to the Seward Peninsula in Alaska

The availability of supercomputers and state-of-science datasets has made it possible to conduct large-scale land simulations at an ultrahigh-resolution. This study reported a computational framework for land surface simulation using the E3SM land model (ELM) at an unprecedented resolution (1 km x 1 km gridcell). The ultrahigh-resolution ELM (uELM) simulation framework includes three parts: (1) high-resolution atmospheric forcing and surface properties dataset generation, (2) massive gridcell-based simulation, and (3) large-scale simulation results analysis. Additionally, we implemented the uELM simulation framework and completed the first 1 km x 1 km terrestrial ecosystem simulation (from 1850 to 2014) over the Seward Peninsula in Alaska (78,000 km 2 ). The experiment contained two phases: a spin-up simulation and a transient simulation, and required five weeks of calculations using 320 cores in a 44-node Linux HPC computer. It created approximately 1.3 TB of data from the transient simulation alone (1850 - present). We selected sample results (monthly and daily simulation outputs) to illustrate the temporal and spatial variations of several variables in high-latitude Arctic ecosystems’ water, energy, and carbon cycles. At last, we summarized the lessons learned and proposed new developments for full-scale uELM simulations over the entire North American continent (approximately 22,000,000 km 2 ).

54 ENVIRONMENTAL SCIENCES↗

Adiabatic quantum linear regression

Abstract A major challenge in machine learning is the computational expense of training these models. Model training can be viewed as a form of optimization used to fit a machine learning model to a set of data, which can take up significant amount of time on classical computers. Adiabatic quantum computers have been shown to excel at solving optimization problems, and therefore, we believe, present a promising alternative to improve machine learning training times. In this paper, we present an adiabatic quantum computing approach for training a linear regression model. In order to do this, we formulate the regression problem as a quadratic unconstrained binary optimization (QUBO) problem. We analyze our quantum approach theoretically, test it on the D-Wave adiabatic quantum computer and compare its performance to a classical approach that uses the Scikit-learn library in Python. Our analysis shows that the quantum approach attains up to $${2.8 \times }$$ 2.8 × speedup over the classical approach on larger datasets, and performs at par with the classical approach on the regression error metric. The quantum approach used the D-Wave 2000Q adiabatic quantum computer, whereas the classical approach used a desktop workstation with an 8-core Intel i9 processor. As such, the results obtained in this work must be interpreted within the context of the specific hardware and software implementations of these machines.

97 MATHEMATICS AND COMPUTING↗

Integration of a DER Management System in Riverside. Final report

The tasks in this project covered various aspects, including algorithm development, algorithm integration into a commercial Active Network Management (ANM) platform, hardware-in-the-loop (HIL) testing in an industry-standard testing platform, pilot demonstration in Riverside, California, and also cost and benefit analysis. The DERMS platform in this project can host different algorithms developed on different platforms (e.g., MATLAB and Python) and it can interact with different hardware devices (e.g., different PV inverters, battery inverters, and different sensors). The DER control solution are based on an advanced model-free, layered, and clustered DER control paradigm. At the core of the DER control algorithms was the concept of Extremum Seeking (ES), which is a model-free probing-based control technique. The ES-based control algorithms were tested on major real-world inverters; both individually and in a cluster. It was shown that even legacy equipment (or when paired with a few additional advanced equipment) can support such advanced control. The monitoring algorithms utilize a heterogeneous set of legacy and advanced sensor measurements, such as behind-the-meter DER sensors, distribution-level Phase Measurement Units, distribution-substation Supervisory Control and Data Acquisition (SCADA), and line current sensors, with their limited availability; in order to infer practical network conditions. Sensor data are utilized to achieve resource forecasting, phase identification, and distribution system state estimation. The technology that was developed and demonstrated in this project could be transformational to utilities, including the smaller municipal utilities such as in Riverside, which may not have the resources to deploy advanced distribution system and DERMS solutions in order to support high penetration of solar power integration. This project created a real-world prototype to provide utilities with an assessment of smart grid monitoring and control technologies.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Harnessing Biomineralization Potential of Metal-Sequestering Bacteria for Rare Earth Elements (REE) Material Synthesis

Extremophilic methylotrophs, such as Methylotuvimicrobium alcaliphilum 20ZR are known for their natural ability to carry out REE capture and uptake. It has been predicted that proteins associated with surface layers facilitate transport and homeostasis of essential metals. Indeed, electron microscopic analysis coupled with antibody staining revealed that cell envelop of metal-grown M. alcaliphilum 20ZR contains metal-binding proteins in the base of the cup-shaped structures of S-layers. While less explored, the proteins associated with S-layers are also predicted to contribute to scavenging of other minerals essential for core metabolism. Here, we employed bottom-up proteomic study to compare the protein content of S-layer fractions of M. alcaliphilum 20ZR cultures grown in the presence and absence trace metals to identify putative components REE-scavenging machinery.

36 MATERIALS SCIENCE↗

Reliable and Efficient Machine Learning (Final Technical Report)

Modern scientific experiments generate massive amounts of data at a pace much faster than humans can manually analyze. While machine learning has revolutionized commercial data analysis (such as recommending movies or recognizing faces), applying these tools to complex scientific discovery is challenging because scientific answers must be precise, interpretable, and adhere to physical laws. The research under this project aims to develop new mathematical tools and computer algorithms specifically designed for scientific applications. Major progress has been made in automatically cleaning and deconstructing messy experimental data, analyzing the visual information of physical phenomena, determining the underlying physical variables, and providing rig orous mathematical analysis of interesting algorithms and concepts widely used in machine learning. This project addressed the critical gap between our ability to generate massive scientific data and our ability to extract interpretable information from it. We established mathematical foundations for Scientific Machine Learning (SciML) aimed at effective data analytics and automated discovery. Our work focused on three core objectives: (1) developing reliable feature extraction methods for dynamic high-dimensional data, (2) establishing mathematical foundations for discovering dynamics via neural networks, and (3) creating rigorous optimization techniques for these models. Key outcomes come from two fronts. On the practical side, they include the development of algorithms that significantly enhance the extraction of signals from field data, as well as the capability to handle situations that exhibit smooth variations or physical stretching due to temperature changes. They also include the creation of an automated framework for discovering fundamental state variables from raw experimental data, demonstrating the ability to identify intrinsic physical dimensions without prior knowledge of the governing laws. On the theoretical front, the research results in theoretical advances in Optimal Transport, a widely used notion in SciML, specifically regarding functions with fixed-size nodal sets, provide sharp bounds relevant to uncertainty quantification. Meanwhile, the outcomes also include the establishment of convergence theories for nonlocal gradient descent methods, enabling robust optimization with noisy data in high-dimensional settings commonly encountered in scientific modeling. The project also helps creating opportunities to train the next generation of researchers, equipping them with the necessary technical skills for today’s workplace and preparing them for future advances.

97 MATHEMATICS AND COMPUTING↗

Chemical Analysis of the Ultrafaint Dwarf Galaxy Grus II. Signature of High-mass Stellar Nucleosynthesis

We present a detailed abundance analysis of the three brightest member stars at the top of the giant branch of the ultrafaint dwarf (UFD) galaxy Grus II. All stars exhibit a higher than expected [Mg/Ca] ratio compared to metal-poor stars in other UFD galaxies and in the Milky Way (MW) halo. Nucleosynthesis in high-mass ( 20 M ⊙) core-collapse supernovae has been shown to create this signature. The abundances of this small sample (three) stars suggests the chemical enrichment of Grus II could have occurred through substantial high-mass stellar evolution, and is consistent with the framework of a top-heavy initial mass function. However, with only three stars it cannot be ruled out that the abundance pattern is the result of a stochastic chemical enrichment at early times in the galaxy. The most metal-rich of the three stars also possesses a small enhancement in rapid neutron-capture (r-process) elements. The abundance pattern of the r-process elements in this star matches the scaled r-process pattern of the solar system and r-process enhanced stars in other dwarf galaxies and in the MW halo, hinting at a common origin for these elements across a range of environments. All current proposed astrophysical sites of r-process element production are associated with high-mass stars, thus the possible top-heavy initial mass function of Grus II would increase the likelihood of any of these events occurring. The time delay between the α and r-process element enrichment of the galaxy favors a neutron star merger as the origin of the r-process elements in Grus II.

79 ASTRONOMY AND ASTROPHYSICS↗

AGR-5/6/7 Final Release-to-Birth Ratio Data Analysis

AGR-5/6/7 is the last of a series of Advanced Gas Reactor (AGR) experiments conducted in the Advanced Test Reactor (ATR) at Idaho National Laboratory (INL) in support of development and qualification of tristructural isotropic (TRISO) low-enriched fuel for use in the high-temperature gas cooled reactor (HTGR). AGR configuration and irradiation conditions are based on prismatic HTGR technology that is distinguished primarily through the use of helium coolant, a low-power-density ceramic core capable of withstanding very high temperatures, and TRISO-coated particle fuel. The AGR tests provide valuable irradiation-performance data to support fuel process development, qualify fuel for normal operation and accident conditions, and support development and validation of fuel performance and fission-product (FP) transport models and codes. Each AGR test consists of multiple independently controlled and monitored capsules containing fuel compacts placed in a graphite cylinder shrouded by a steel shell. Release-to-birth ratios (R/B) for fission-gas isotopes released from each capsule are calculated from release rates, measured by germanium detectors in the Fission Product Monitoring System (FPMS) installed downstream from each capsule, and birth rates calculated using numerical models of FG generation. The R/Bs are a critical measure of the ability of the fuel kernel, the particle coating layers, and the compact matrix to retain fission-gas atoms, preventing their release into the sweep-gas flow, and the impact of initially defective particles and/or particle-coating failures that occur during irradiation. For fission-gas isotopes, particle failure is defined as failure of all coating layers, allowing gaseous fission atoms to escape from a particle. During the first five cycles (162B ? 165A), R/Bs were stable in the 10-8?10-6 range, and no in-pile particle failures were observed, based on the gross gamma counts. The maximum R/B value of around 2 ? 10-6 for Kr-85m resulted from the presence of as-fabricated exposed kernels (based on the high exposed kernel fraction), the dispersed uranium, and high fuel particle temperatures in Capsule 1. Comparison of capsule-measured R/Bs from these early cycles to predictions using the previously developed AGR R/B model demonstrated FG release from the AGR-5/6/7 TRISO fuel was comparable to that of previous experiments. In addition, the Kr-85m R/B per-exposed-kernel values are comparable to R/B values obtained in AGR-3/4 irradiation experiment and four irradiation experiments performed during 1980s: (1) HRB-17/18, (2) COMEDIE-BD1, (3) HFR B1, and (4) HRB-21. In contrast, all measured R/B values are lower than predictions by the commonly used Richards and German models, which are intentionally conservative. A large number of in-pile particle failures occurred in Capsule 1 by the end of Cycle 166A. During the final four cycles (166A ? 168A), apparent damage to the Capsule 1 gas line appeared to cause FG leakage from that capsule into the other four capsules, resulting in an increase in fission gas (FG) detected in the effluent for all capsules. Isolation of the Capsule 1 gas line during the last three cycles also prevented measurement of its FG release. Thus, R/Bs in all capsules after Cycle 166A are highly uncertain because of undefined amount of leakage from Capsule 1, especially for long-lived isotopes. A few hundred in-pile particle failures were estimated for Capsule 1 before the end of Cycle 166A, but the total number of failures is unknown due to the lack of FG release data in the later cycles. Based primarily on evidence from the gross gamma counts during Cycle 168A, approximately 15 particles failed in Capsule 3 and four particles failed in Capsule 2. In-pile failures in Capsule 3 were anticipated because this capsule was designed to operate beyond the HTGR normal operating temperature range. In contrast, no in-pile failures were identified in the top two capsules (4 and 5) based on the absence of the typical spikes in gross gamma counts and low failure estimates using the AGR model, developed in INL/EXT-14-32970, for R/B of the short-lived isotopes (Kr-89 and Xe-137) with minimal leakage from Capsule 1.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Future projections in the climatology of global low-level jets from CORDEX-CORE simulations

The potential changes in the strength and location of five low-level jets (LLJs) located within four Coordinated Regional Climate Downscaling Experiment (CORDEX) domains are examined for present and future climate conditions using an ensemble of simulations conducted with the RegCM4 regional model at a 25 km horizontal grid spacing. Lateral and lower boundary forcing fields are from three General Circulation Models (GCMs), and we analyse a historical period (1995–2014) along with two future periods (2041–2060 and 2080–2099) under the Representative Concentration Pathways 2.6 and 8.5. The RegCM4, as driven by the GCMs, is capable of capturing most of the observed climatological features of the LLJs, both in terms of spatial location and seasonal evolution. Analysis of the influence of global warming on the LLJs shows a consistent strengthening of the jets and a shift in their location under both warming scenarios. The Monsoon and West African westerly LLJs exhibit a northward shift, while the Caribbean and South American LLJs present a westward expansion. The use of an ensemble of high-resolution simulations is found to provide a key element for a robust assessment of changes in LLJs associated with future global warming scenarios.

54 ENVIRONMENTAL SCIENCES↗

Multiphysics analysis of fuel fragmentation, relocation, and dispersal susceptibility–Part 1: Overview and code coupling strategies

The US nuclear energy industry is investigating strategies to increase the reactor operating cycle to 24 months, resulting in peak rod average burnups exceeding the current limit of 62 GWd/tU. This increase will in turn increase the probability of fuel fragmentation, relocation, and dispersal (FFRD) in the event of a loss-of-coolant accident (LOCA). This effort couples multiple codes to (1) evaluate full-core power histories for high-burnup fuel operated in a Westinghouse 4-loop pressurized water reactor, (2) model a postulated large-break LOCA, and (3) calculate the mass of fuel susceptible to FFRD. This paper, the first of three describing the work, focuses on code coupling strategies and FFRD susceptibility calculations. The other two companion papers focus on code-specific designs and analyses. Three codes were used in this work. VERA was used to calculate steady-state power histories, TRACE was used to model the transient thermal hydraulics, and BISON was used to model steady-state and transient fuel performance and cladding failure. Herein, several fuel pulverization models were used to calculate FFRD susceptibility in failed rods. Depending on the cladding failure/fuel pulverization model combination, the core-wide FFRD susceptibility during the postulated LOCA range from 0 to over 5,000 kg.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗