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At least 1,603 records · Page 89

Morphology selection in dealloying: A phase field study of the coupling among kinetic mechanisms

A phase field model is used to investigate how the corrosion rate and morphology of a dealloying metal is controlled by the kinetic rates of bulk solid diffusion, interfacial diffusivity, and interface dissolution. A specific focus is investigating the manner by which variations in these kinetic parameters synergistically influence the onset of a morphological instability at the solid-liquid interface, which is known to precede rapid dealloying corrosion towards highly topologically complex structures such as bicontinuous porous solids. This work demonstrates that this instability can be suppressed by either an increase of interdiffusion in the solid alloy, or by a decreasing rate of dissolution at the solid-liquid interface. When the instability is suppressed, the result is a relatively planar, passivated dealloying front. Importantly, however, coupled changes in kinetic parameters can also promote the morphological instability and sustain fine-scale ligament and pore formation. Finally, the relevance of the solid-liquid interfacial diffusion for determining the rate of dealloying and ligament formation is highlighted. By elucidating the mechanistic influence of bulk and interfacial kinetic factors on the dealloyed morphology, this work helps to rationalize the contrasting morphologies observed in various dealloying systems.

Diffusion↗

Openpronghorn

OpenPronghorn is a simulation tool specifically tailored for modeling thermal-hydraulic phenomena in advanced nuclear reactors. It is built on the Multiphysics Object-Oriented Simulation Environment (MOOSE), an open-source platform that facilitates the development of high-performance scientific computing applications. OpenPronghorn solves the Navier-Stokes equations, which describe the conservation of mass, momentum, and energy in fluid flows, using the finite volume numerical method. The code supports a wide range of fluid flow conditions that are applicable to nuclear reactors, including incompressible and weakly compressible flows, as well as single-phase and multiphase flows. It is capable of modeling diverse flow regimes, including laminar and turbulent flows, using various turbulence models such as the standard k-epsilon models, the v2f model, and the mixing length model. For multiphase flows, OpenPronghorn employs a mixture a Eulerian modeling approach with mixture, drift-flux, and full Eulerian models, and includes open-sourced interfacial transfer correlations for drag, exchange, and heat transfer coming from the scientific literature. OpenPronghorn's modular design allows it to handle multiscale simulations, ranging from detailed Reynolds-Averaged Navier Stokes (RANS) simulations to coarse-mesh and lumped parameter models. This flexibility enables users to perform high-fidelity simulations of specific reactor components as well as system-level analyses of entire reactor circuits. The code can be coupled with other MOOSE-based tools using the MultiApp system, allowing for the transfer of coupling quantities such as mass flow rates, heat fluxes, and boundary conditions between different simulation scales. One of the main features of OpenPronghorn is the it includes built-in validation cases from the open-source scientific literature and supports the implementation of user-defined models and correlations through MOOSE's FunctorMaterial system. OpenPronghorn is designed to be computationally efficient, leveraging the SIMPLE projection method for large-scale problems, and can be run on high-performance computing systems to handle the extensive computational demands of detailed reactor simulations. Overall, OpenPronghorn is a versatile and robust tool that provides critical insights into the thermal-hydraulic behavior of advanced nuclear reactors, supporting the design, safety, and optimization of next-generation nuclear energy systems.

Retamales, Mauricio Eduardo Tano [Idaho National L↗

Convective Transition Statistics over Tropical Oceans for Climate Model Diagnostics: GCM Evaluation

To assess deep convective parameterizations in a variety of GCMs and examine the fast-time-scale convective transition, a set of statistics characterizing the pickup of precipitation as a function of column water vapor (CWV), PDFs and joint PDFs of CWV and precipitation, and the dependence of the moisture–precipitation relation on tropospheric temperature is evaluated using the hourly output of two versions of the GFDL Atmospheric Model, version 4 (AM4), NCAR CAM5 and superparameterized CAM (SPCAM). The 6-hourly output from the MJO Task Force (MJOTF)/GEWEX Atmospheric System Study (GASS) project is also analyzed. Contrasting statistics produced from individual models that primarily differ in representations of moist convection suggest that convective transition statistics can substantially distinguish differences in convective representation and its interaction with the large-scale flow, while models that differ only in spatial–temporal resolution, microphysics, or ocean–atmosphere coupling result in similar statistics. Most of the models simulate some version of the observed sharp increase in precipitation as CWV exceeds a critical value, as well as that convective onset occurs at higher CWV but at lower column RH as temperature increases. While some models quantitatively capture these observed features and associated probability distributions, considerable intermodel spread and departures from observations in various aspects of the precipitation–CWV relationship are noted. For instance, in many of the models, the transition from the low-CWV, nonprecipitating regime to the moist regime for CWV around and above critical is less abrupt than in observations. Additionally, some models overproduce drizzle at low CWV, and some require CWV higher than observed for strong precipitation. For many of the models, it is particularly challenging to simulate the probability distributions of CWV at high temperature.

54 ENVIRONMENTAL SCIENCES↗

Decadal Spiciness Variability in the Subtropical-Tropical Pacific in the CESM2 Large Ensemble

Tropical Pacific decadal variations impact weather and climate around the world and are also connected to variations in the global warming trend. The mechanisms driving these long-term modulations, particularly the role of subsurface ocean dynamics, are still debated. Here, we investigate the dynamics of spiciness (density-compensated temperature and salinity) anomalies in the tropical and subtropical Pacific, which are hypothesized as a possible driving mechanism of decadal climate variability. Based on the analysis of 100 realizations from the Community Earth System Model Version 2 Large Ensemble (CESM2-LE), we demonstrate a coupling between the subtropics and the equatorial Pacific by propagating spiciness anomalies at decadal time scales. The CESM2-LE simulates spiciness variability along a subduction path from the subtropics to the equator with frequency spectra that show the highest power at low frequencies and a power decay proportional to a −4 slope for frequencies greater than 0.01 cycles per months, corresponding to periods smaller than ∼8.5 years. Signals that originate in the Southern Hemisphere (SH) dominate and arrive with a larger magnitude at the equator compared to spiciness anomalies from the Northern Hemisphere (NH). Spiciness anomalies from the SH have shorter propagation times and are strengthened along their pathway as stochastic wind stress curl forcing generates anomalous baroclinic ocean pressure gradients. These pressure gradients generate spiciness anomalies via anomalous advection across climatological spiciness gradients in the SH. We conclude that the observed spiciness variance at decadal time scales is consistent with a forcing by stochastic wind variations that are low-pass filtered by ocean dynamics.

54 ENVIRONMENTAL SCIENCES↗

Pan-Arctic daily streamflow at 0.5-degree resolution

Data was derived using daily runoff from models participating in the Coupled Model Intercomparison Project, version 6 (CMIP6) that have been routed through the Model for Scale Adaptive River Transport (MOSART) routing model to represent streamflow at individual streamflow gage locations. Data from 750 streamflow gage locations are represented, which are indexed by gage id according to the metadata.csv file. Streamflow gage location sites were based on gage records downloaded from the United States Geological Survey (USGS), National Water Data (HYDAT) Archive from Canada, and the State Hydrological Institute of Russia. Data are available from 11 Earth System Models (ESMs) in total at a daily timestep with a duration of 1920-2099 (1850-2014 for E3SM only). The spatial domain of the modeled data is 0.5 degree resolution. Earth System Models and Units of mean daily streamflow are presented in cubic meters per second (cms). Data files consist of 11 Earth System Model mean daily streamflow output per gage location in .csv format, 1 metadata file in .csv format and 1 Readme file in .docx format (13 files in total). These data were used to benchmark CMIP6 modeled representations of streamflow against gage records.

54 ENVIRONMENTAL SCIENCES↗

Modeling-Based Assessment of Deep Seismic Potential Induced by Geologic Carbon Storage

Induced seismicity is an inherent risk associated with geologic carbon storage (GCS) in deep rock formations that could contain undetected faults prone to failure. Modeling-based risk assessment has been implemented to quantify the potential of injection-induced seismicity, but typically simplified multiscale geologic features or neglected multiphysics coupled mechanisms because of the uncertainty in field data and computational cost of field-scale simulations, which may limit the reliable prediction of seismic hazard caused by industrial-scale CO 2 storage. The degree of lateral continuity of the stratigraphic interbedding below the reservoir and depth-dependent fault permeability can enhance or inhibit pore-pressure diffusion and corresponding poroelastic stressing along a basement fault. In conclusion, this study presents a rigorous modeling scheme with optimal geological and operational parameters needed to be considered in seismic monitoring and mitigation strategies for safe GCS.

58 GEOSCIENCES↗

Evaluation of Engineered Barrier Systems (FY19 Report)

This report describes research and development (R&D) activities conducted during fiscal year 2019 (FY19) specifically related to the Engineered Barrier System (EBS) R&D Work Package in the Spent Fuel and Waste Science and Technology (SFWST) Campaign supported by the United States (U.S.) Department of Eneregy (DOE). The R&D activities focus on understanding EBS component evolution and interactions within the EBS, as well as interactions between the host media and the EBS. A primary goal is to advance the development of process models that can be implemented directly within the Genreric Disposal System Analysis (GDSA) platform or that can contribute to the safety case in some manner such as building confidence, providing further insight into the processes being modeled, establishing better constraints on barrier performance, etc.The FY19 EBS activities involved not only modeling and analysis work, but experimental work as well. The report documents the FY19 progress made in seven different research areas as follows: (1) thermal analysis for the disposal of dual purpose canisters (DPCs) in sedimentary host rock using the semianalytical method, (2) tetravalent uranium solubility and speciation, (3) modeling of high temperature, thermal-hydrologic-mechanical-chemical (THMC) coupled processes, (4) integration of coupled thermalhydrologic- chemical (THC) model with GDSA using a Reduced-Order Model, (5) studying chemical controls on montmorillonite structure and swelling pressure, (6) transmission x-ray microscope for in-situ nanotomography of bentonite and shale, and (7) in-situ electrochemical testing of uranium dioxide under anoxic conditions. The R&D team consisted of subject matter experts from Sandia National Laboratories, Lawrence Berkeley National Laboratory (LBNL), Los Alamos National Laboratory (LANL), Pacific Northwest National Laboratory (PNNL), the Bureau de Recherches Géologiques et Minières (BRGM), the University of California Berkeley, and Mississippi State University. In addition, the EBS R&D work leverages international collaborations to ensure that the DOE program is active and abreast of the latest advances in nuclear waste disposal. For example, the FY19 work on modeling coupled THMC processes at high temperatures relied on the bentonite properties from the Full-scale Engineered Barrier EXperiment (FEBEX) Field Test conducted at the Grimsel Test Site in Switzerland. Overall, significant progress has been made in FY19 towards developing the modeling tools and experimental capabilities needed to investigate the performance of EBS materials and the associated interactions in the drift and the surrounding near-field environment under a variety of conditions including high temperature regimes.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Advancing Sea Ice Predictability in E3SM with Machine Learning

Focal area(s): To improve predictions of sea ice in E3SM we propose to develop a hierarchy of data-driven models using observational and simulation data to investigate the most important Earth system drivers of sea ice variability and loss, develop surrogates that build on the reduced parameter space of important drivers, and, where appropriate, couple machine learning models with standard PDE models to capture important physical behavior at different scales. This work falls under Focal Area 2. Predictive modeling through the use of AI techniques.

54 ENVIRONMENTAL SCIENCES↗

Multi-Period Optimization of Multi-Timescale Energy Systems: Application to Solid-Oxide Electrolysis Cells

A presentation detailing the recent progress in the optimization of Solid-Oxide Cells under Chemical Degradation. The existing methods typically involve a quasi-steady state assumption to make this large-scale problem tractable. Here, we introduce an extension to this method that allows for adaptive coupling of degradation with the fast-timescale process based on a variety of error thresholds. This reduces the error accumulated during long-term optimization of the SOC under degradation and allows for decision making at multiple timescales. The results presented include long-term operating profiles of the SOC under degradation with both steady-state and fluctuating day to day operation.

Giridhar, Nishant↗

High Energy Neutrino Physics

Of the twelve subatomic particles that are the building blocks of all the known matter in the universe, three are neutrinos, small neutral particles that interact through the weak interaction with other particles in the Universe. These three neutrinos, paired with the three charged leptons, the familiar electron, the heavier muon, and the still heavier tau, are some of the least well understood particles of these building blocks. Experiments using accelerator beams, like those that are the subject of this grant, can address some of the key questions scientists are posing with respect to the neutrino. Specifically, are there differences between neutrinos and their anti-particles, anti-neutrinos, that could give us some clue to the matter dominated universe, do we understand the spectrum of masses of the three neutrinos, and are there other kinds of neutirnos than the three neutrinos? Coupled with advances in precision neutrino detection, the US is addressing these questions from small scale experiments to the massive DUNE experiment. PI Fleming and her team play critical roles in accelerator based neutrino physics at short and long baseline with participation on MicroBooNE, SBND, and with the group's participation in DUNE. These experiments are at the heart of the US-based high energy physics program.

43 PARTICLE ACCELERATORS↗

Electronic Structure Correspondence of Singlet-Triplet Scale Separation in Strained Sr2RuO4

At a temperature of roughly 1 K, Sr 2 RuO 4 undergoes a transition from a normal Fermi liquid to a superconducting phase. Even while the former is relatively simple and well understood, the superconducting state has not even been understood after 25 years of study. More recently, it has been found that critical temperatures can be enhanced by the application of uniaxial strain, up to a critical strain, after which it falls off. In this work, we take an “instability” approach and seek divergences in susceptibilities. This provides an unbiased way to distinguish tendencies to competing ground states. We show that in the unstrained compound, the singlet and triplet instabilities of the normal Fermi liquid phase are closely spaced. Under uniaxial strain, electrons residing on all orbitals contributing to the Fermiology become more coherent, while the electrons of the Ru-dxy character become heavier, and the electrons of the Ru d x z , y z characters become lighter. In the process, Im χ(q,ω) increases rapidly around q = ( 0.3 , 0.3 , 0 ) 2 π / a and q = ( 0.5 , 0.25 , 0 ) 2 π / a , while it gets suppressed at all other commensurate vectors, in particular at q = 0, which is essential for spin-triplet superconductivity. We observe that the magnetic anisotropy under strain drops smoothly, which is concomitant with the increment in singlet instability. Thus, the triplet superconducting instability remains the lagging instability of the system, and the singlet instability enhances under strain, leading to a large energy-scale separation between these competing instabilities. However, since this happens even without spin-orbit coupling, we believe it is primarily the enhancement in the spin fluctuation glue around quasi-anti-ferromagnetic vectors that drives the Cooper pairing instead of the magnetic anisotropy. At large strain, an instability to a spin density wave overtakes the superconducting one. The analysis relies on a high-fidelity, ab initio description of the one-particle properties and two-particle susceptibilities, based on the quasiparticle self-consistent GW approximation augmented by dynamical mean field theory. This approach is described and its high fidelity confirmed by comparing to observed one- and two-particle properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Mariner 9 - Image processing and products.

The purpose of this paper is to describe the system for the display, processing, and production of image data products created to support the Mariner 9 Television Experiment. Of necessity, the system was large in order to respond to the needs of a large team of scientists with a broad scope of experimental objectives. The desire to generate processed data products as rapidly as possible to take advantage of adaptive planning during the mission, coupled with the complexities introduced by the nature of the vidicon camera, greatly increased the scale of the ground image processing effort. This paper describes the systems that carried out the processes and delivered the products necessary for real-time and near-real-time analyses. References are made to the computer algorithms used for the different levels of decalibration and analysis.

Levinthal, E. C.↗

Mariner 9 - Image processing and products.

The purpose of this paper is to describe the system for the display, processing, and production of image-data products created to support the Mariner 9 Television Experiment. Of necessity, the system was large in order to respond to the needs of a large team of scientists with a broad scope of experimental objectives. The desire to generate processed data products as rapidly as possible, coupled with the complexities introduced by the nature of the vidicon camera, greatly increased the scale of the ground-image processing effort. This paper describes the systems that carried out the processes and delivered the products necessary for real-time and near-real-time analyses. References are made to the computer algorithms used for the different levels of decalibration and analysis.

Levinthal, E. C.↗

Bubble-domain detector

Bubble domain detector employs transformer coupling for data retrieval. Method makes multidetection practical by time multiplexing. Multiplexer matrices can be scaled in 4 by 4, 4 by 8, 4 by 16, or larger combinations without diode steering.

Stermer, R. L.↗

Effects of free-stream turbulence on diffuser performance

An experimental evaluation of the effects of free stream turbulence on the performance of a subsonic two dimensional diffuser was made. The diffuser's static pressure recovery coefficient was increased 11.4 and 21.1 percent at total. Divergence angles of 12 and 20 degrees respectively were obtained when the value of the inlet integral free stream scale of turbulence in the flow direction was at least 7.5 times larger than the inlet boundary layer displacement thickness, and when the inlet total free stream turbulence intensity was at least 3.5 percent. It is hypothesized that a larger scale of turbulence transmits the free stream energy to the wall more effectively and when coupled with large turbulence intensities, acts to decrease the distortion and delay separation within the diffuser.

Hoffmann, J. A.↗

Radiative-photochemical response of the mesosphere to dynamical forcing

Combination of the chemical continuity equation for odd oxygen with the second law of thermodynamics yields analytic solutions which describe the coupled behavior of temperature and ozone perturbations in response to an externally specified forcing. The results appear in a form which allows easy physical interpretation of the coupling between radiative and photochemical processes. When the forcing is chosen to mimic a planetary scale wave, the theory shows that photochemical acceleration of radiative damping reduces the amplitude of the temperature perturbation by an amount which increases with the wave period. Although ozone fluctuations are anti-correlated with those in temperature, minima in ozone do not coincide exactly in longitude with temperature maxima. The percentage variation in ozone increases upward and is always larger than that in temperature at the same pressure. This demonstrates that variations in ozone on constant pressure surfaces may serve as a sensitive indicator of wave activity in the mesosphere.

Frederick, J. E.↗

Monthly mean distribution of ozone and temperature

Global monthly mean charts for both hemispheres are given for four mid-season months, and for the pressure levels 30, 10, 1, and 0.1 mbar for temperature and 0.4 mbar for ozone. Charts of total ozone are provided separately. This set of charts shows clearly the very close coupling between the temperature and ozone distributions and demonstrates the influence of the large-scale planetary waves which give rise to very large longitudinal variations. The regular and interannual variability of temperature and ozone are discussed.

Labitzke, K.↗

Enhancements to Program LAURA for computation of three-dimensional hypersonic flow

Changes to Program Laura (Langley Aerothermodynamic Upwind Relaxation Algorithm) are presented which enhance both stability and accuracy of the algorithm. A discussion of iteration/sweeping strategies and their relation to computer architectures is included to best exploit the capabilities of serial, vector, and parallel processor machines. Test cases for Mach 10 perfect gas flow and Mach 32 real gas flow in chemical nonequilibrium over a blunt, raked elliptic cone using the thin-layer Navier-Stokes equations are presented in order to demonstrate the current improved capabilities. Algorithm changes include the use of volume averaging, application of a symmetric total variation diminishing (TVD) scheme, and stronger interaction between the grid/shock alignment routine and the relaxation algorithm. Good comparisons with heat transfer and pitching moment data at three different angles of attack for the Mach 10 tests serve to further validate the present algorithm. Parameters are defined which control the coupling of the specie continuity equations with the solution of the mixture conservation equations. A discussion of the consequences involved in the choice of strong versus weak coupling is presented, and a sample nonequilibrium calculation on a fine grid over a full scale model of the Aeroassist Flight Experiment (AFE) demonstrates current capabilities.

Gnoffo, Peter A.↗