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At least 163 records · Page 9

Modeling Intrajunction Dispersion at a Well-Mixed Tidal River Junction

In this paper, the relative importance of small-scale, intrajunction flow features such as shear layers, separation zones, and secondary flows on dispersion in a well-mixed tidal river junction is explored. A fully nonlinear, nonhydrostatic, and unstructured three-dimensional (3D) model is used to resolve supertidal dispersion via scalar transport at a well-mixed tidal river junction. Mass transport simulated in the junction is compared against predictions using a simple node-channel model to quantify the effects of small-scale, 3D intrajunction flow features on mixing and dispersion. The effects of three-dimensionality are demonstrated by quantifying the difference between two-dimensional (2D) and 3D model results. An intermediate 3D model that does not resolve the secondary circulation or the recirculating flow at the junction is also compared to the 3D model to quantify the relative sensitivity of mixing on intrajunction flow features. Resolution of complex flow features simulated by the full 3D model is not always necessary because mixing is primarily governed by bulk flow splitting due to the confluence–diffluence cycle. Finally, results in 3D are comparable to the 2D case for many flow pathways simulated, suggesting that 2D modeling may be reasonable for nonstratified and predominantly hydrostatic flows through relatively straight junctions, but not necessarily for the full junction network.

58 GEOSCIENCES↗

Ozone formation during an episode over Europe: A 3-D chemical/transport model simulation

A 3-D regional photochemical tracer/transport model for Europe and the Eastern Atlantic has been developed based on the NASA/GISS CTM. The model resolution is 4x5 degrees latitude and longitude with 9 layers in the vertical (7 in the troposphere). Advective winds, convection statistics and other meteorological data from the NASA/GISS GCM are used. An extensive gas-phase chemical scheme based on the scheme used in our global 2D model has been incorporated in the 3D model. In this work ozone formation in the troposphere is studied with the 3D model during a 5 day period starting June 30. Extensive local ozone production is found and the relationship between the source regions and the downwind areas are discussed. Variations in local ozone formation as a function of total emission rate, as well as the composition of the emissions (HC/NO(x)) ratio and isoprene emissions) are elucidated. An important vertical transport process in the troposphere is by convective clouds. The 3D model includes an explicit parameterization of this process. It is shown that this process has significant influence on the calculated surface ozone concentrations.

Berntsen, Terje↗

Fallon FORGE 3D Geologic Model

An x,y,z scattered data file for the 3D geologic model of the Fallon FORGE site. Model created in Earthvision by Dynamic Graphic Inc. The model was constructed with a grid spacing of 100 m. Geologic surfaces were extrapolated from the input data using a minimum tension gridding algorithm. The data file is tabular data in a text file, with lithology data associated with X,Y,Z grid points. All the relevant information is in the file header (the spatial reference, the projection etc.) In addition all the fields in the data file are identified in the header.

15 GEOTHERMAL ENERGY↗

Hawaii Play Fairway Analysis: Lanai Resistivity and Density 3D Inversion Models

To prepare for its third phase, the Hawaii Play Fairway project conducted groundwater sampling and analyses in ten locations in the Hawaiian islands, magnetotelluric (MT) and gravity surveys, as well as calculations of 3D subsurface stress due to the weight of the rock underlying the topography of the volcano. The subsurface stresses were used to evaluate the potential for fracture-induced permeability. Inversions of the MT and gravity data produce 3D models of resistivity and density, respectively, on Lanai, across Haleakala's SW rift (Maui), and surrounding Mauna Kea (Hawaii Island). The project developed and applied a new method for incorporating depth information about resistivity, density, and potential for fracture-induced permeability into the statistical method for computing resource probability in these three focus areas. The project then incorporated the new groundwater results with the new geophysical results and the calculations of potential for fracture-induced permeability to produce updated maps of resource probability and confidence. These results were used to identify target sites for exploratory drilling. Spreadsheet information: Each sheet contains data for a particular depth in kilometers. Positive depths are above sea level, and negative below. For more information, go to the Hawaii Groundwater and Geothermal Resources Center website linked in the resources.

15 GEOTHERMAL ENERGY↗

A 3D dynamic model to assess the impacts of low-mode asymmetry, aneurysms and mix-induced radiative loss on capsule performance across inertial confinement fusion platforms

A simple 3D dynamic model for inertial confinement fusion (ICF) implosions has been developed and used to assess the impacts of low-mode asymmetry, aneurysms and mix-induced radiative loss on capsule performance across ICF platforms. While benchmarked against radiation hydrodynamics simulations, this model benefits from simplicity and speed to allow rapid assessment of possible sources of degradation as well as to help build intuition about the relative importance of different effects. Degradations in the model result from 3D pr areal density perturbations that grow under deceleration from a radial stagnation flow, resulting in reduced convergence, stagnation pressure and temperature. When available, experimental data are used as input to seed 3D perturbations in the model so that the actual observed hotspot and shell areal density asymmetry at stagnation, as well as the radiation loss increase from mix impurities, are accurately reproduced. This model is applied to a broad set of implosion data from the NIF and Omega, including examples from both indirect drive and direct drive. The model matches most experimental observables and explains major performance degradation mechanisms which can result in 30–100-fold reductions in yield. We investigate a modified ignition criterion that accounts for the increase in expansion pdV work, due to the presence of 3D pr perturbations and loss-of-confinement in thin regions of the shell.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

3D MHD Models of Active Region Loops

Present imaging and spectroscopic observations of active region loops allow to determine many physical parameters of the coronal loops, such as the density, temperature, velocity of flows in loops, and the magnetic field. However, due to projection effects many of these parameters remain ambiguous. Three dimensional imaging in EUV by the STEREO spacecraft will help to resolve the projection ambiguities, and the observations could be used to setup 3D MHD models of active region loops to study the dynamics and stability of active regions. Here the results of 3D MHD models of active region loops are presented, and the progress towards more realistic 3D MHD models of active regions. In particular the effects of impulsive events on the excitation of active region loop oscillations, and the generation, propagations and reflection of EIT waves are shown. It is shown how 3D MHD models together with 3D EUV observations can be used as a diagnostic tool for active region loop physical parameters, and to advance the science of the sources of solar coronal activity.

Ofman, Leon↗

Non-gaussianity of the critical 3d Ising model

We discuss the 4pt function of the critical 3d Ising model, extracted from recent conformal bootstrap results. We focus on the non-gaussianity Q Q – the ratio of the 4pt function to its gaussian part given by three Wick contractions. This ratio reveals significant non-gaussianity of the critical fluctuations. The bootstrap results are consistent with a rigorous inequality due to Lebowitz and Aizenman, which limits Q Q to lie between 1/3 1 / 3 and 1 1 .

Rychkov, Slava↗

FY23 Progress on Computational Modeling of the Water-Based NSTF

This report summarizes the system-level modeling effort by Argonne National Laboratory (Argonne) of the Natural convection Shutdown heat removal Test Facility (NSTF) in FY23. As a continuation of the modeling effort from FY22, this year’s work focuses on improving the RELAP5-3D model developed previously for two-phase flow simulations. The RELAP5-3D model is updated to more accurately capture the heat loss experienced by the facility. The updated model is compared against experimental data for benchmarking purposes of the RELAP5-3D input model. By correctly accounting for heat loss, the updated RELAP5-3D model can now predict the two-phase baseline case more accurately. The onset and the duration of instability are captured well by the model. Furthermore, analyses are performed to better understand the instability mechanism experienced by the flow where the expansion of the boiling boundary in the chimney is studied in details and the fundamental frequencies of the oscillations are obtained. The updated RELAP5-3D model is further compared against four fault conditions, namely the reduction of riser header inlet flow area, depletion of system inventory, blocked riser channels, and static boiling scenario. For each fault condition, minor modifications and tuning are performed to improve the predictions of the model. The purpose of the analyses is to investigate the capability of RELAP5-3D in predicting complex two-phase flows in possible accident scenarios in actual Reactor Cavity Cooling System (RCCS). Overall, the model is able to capture the behaviors and trends of these fault conditions relatively well. Some discrepancies remain between the experimental data and the predictions, many of which are likely due to the differences in the predicted and experimental vapor generation rate. Future work will focus on the continued development of the current RELAP5-3D input model of the NSTF to both improve the accuracy of the model’s predictive capability and continue supporting the experimental program needs. The mutually beneficial relationship between analysis and experimental efforts has become integral to the parent NSTF program, and the greater objective to fully understand and accurately predict the heat removal performance of a full scale RCCS concept.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Toward a 3d Ising model with a weakly-coupled string theory dual

It has long been expected that the 3d Ising model can be thought of as a string theory, where one interprets the domain walls that separate up spins from down spins as two-dimensional string worldsheets. The usual Ising Hamiltonian measures the area of these domain walls. This theory has string coupling of unit magnitude. We add new local terms to the Ising Hamiltonian that further weight each spin configuration by a factor depending on the genus of the corresponding domain wall, resulting in a new 3d Ising model that has a tunable bare string coupling g_s g s . We use a combination of analytical and numerical methods to analyze the phase structure of this model as g_s g s is varied. We study statistical properties of the topology of worldsheets and discuss the prospects of using this new deformation at weak string coupling to find a worldsheet description of the 3d Ising transition.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

MO-F-CAMPUS-I-04: Magnetic Resonance Imaging of An in Vitro 3D Tumor Model

Purpose: To investigate the use of an in vitro 3D tumor model (tumoroid) as a bio-phantom for repetitive and sequential magnetic resonance imaging (MRI) studies. Methods: The tissue engineered tumoroid comprised an artificial cancer mass (ACM) containing 30 million HT29 cancer cells seeded in a collagen type I matrix, whose density was increased by plastic compression (dry/wet weight=40%). The ACM was embedded in an uncompressed collagen gel that mimicked the tumor stroma, and the tumoroid was incubated for 24h before imaging. Images were acquired using the 1T ICON™ (Bruker Corporation, Billerica, MA) MRI scanner. T1 maps were calculated using an IR-RARE sequence (TE=12ms, TR=10000ms, 7 inversion times), while for T2 maps a MSME technique (TR=6000ms, 16 echoes) was used. T1 and T2 fittings were performed using a pixel-wise approach to produce relaxometric parametric maps. Results: The images acquired and corresponding T1 and T2 maps indicate contrast between the ACM and the stroma. T1 was 2500 and 2800ms, while T2 was 520 and 760ms, for the ACM and stroma respectively. The ACM construct was not homogenous and internal features were visible, which can be explained by local gradients of cell and/or collagen density. The viability of the cells was confirmed via confocal microscopy for several days after the imaging session, demonstrating the suitability of the tumoroid for sequential imaging studies. Conclusions: We have engineered a tumor model compatible with repetitive and sequential MRI. We found T1 and T2 contrast between the ACM and stroma using a pre-clinical MRI scanner. The model, which enables controllable cell and matrix densities, has potential for a wide range of applications in radiotherapy, such as to study tumor progression and to validate imaging biomarkers. Further work is necessary to understand the mechanisms behind the contrast achieved, and to correlate findings with biology and histology data.

60 APPLIED LIFE SCIENCES↗

Yearly Report for the Period Jan-Dec 2012: IC PROJECT W12c_earthuq - “High-Performance Computing for Uncertainty Quantification of 3D Earth Models”

This proposal was written to be a new project leveraging on computational achievements of the two IC11 proposals “3D Geophysical Modeling Validation” and “Time-Reversal Imaging of tremor sources”. W12c_earthuq involves additional codes/tools other than SPECFEM3D for data processing and planned a strong effort to move toward modeling at much larger scales than the aforementioned projects. W12c_earthuq goal was to use extensive HPC resources at LANL to assess the uncertainty of high resolution 3D geophysical models. Validation of these models as planned in W11_geophys is the first step in a full assessment of uncertainty. So, the scientific and programmatic impacts of this project are the same as W11_geophys. The main effort related to w12c_earthuq is the preparation to transition to large runs with a resolution down to 2s. We already report the work done in the report for w11_geophys. Such resolution requires meshes with 10 billions elements with a size of about 5km and a few thousands of compute nodes. First tests on mustang have revealed that the I/O part of the code need to be reviewed because it opens too many files in its current version.

58 GEOSCIENCES↗

West Flank Coso FORGE: 3D Geologic Model

This is an x,y,z file of the West Flank FORGE 3D geologic model. Model created in Earthvision by Dynamic Graphic Inc. The model was constructed with a grid spacing of 100 m. Geologic surfaces were extrapolated from the input data using a minimum tension gridding algorithm. The data file is tabular data in a text file, with lithology data associated with X,Y,Z grid points. All the relevant information is in the file header (the spatial reference, the projection etc.) In addition all the fields in the data file are identified in the header.

15 GEOTHERMAL ENERGY↗

Observations and 3D MHD Modeling of Small-scale Solar Prominence Oscillations

Small scaleoscillations were recently observed in prominences with high resolution Hinode/SOT and IRIS SJI in unprecedented detailand identified as fast magnetosonic waves. The high-resolution observations provide evidence of flows of cool material, fluid instabilities such as Kelvin-Helmholtz and Rayleigh-Taylor, and the spectroscopic information provides evidence of Doppler shifts, heating, and cooling of the prominence material. Recently nonlinear fast magnetosonic waves were observed withperiods in the range of 5–11 minutes and wavelengths in the plane of the sky (POS) of ~2000kmand flows, and the flows in narrow threads withPOS speed ∼16–46 km/s. Thenonlinear fast magnetosonic waves and flows were modeled using 2.5D MHD (Ofman & Kucera 2020). Here, we extend the studyof the nonlinear fast magnetosonic waves using more realistic 3D MHD model. The model includes the 3D structure of the density and the magnetic fieldas well as mode coupling anddemonstrate the propagating density compressions associated with the nonlinear fast magnetosonicwaves, as well as the guided modesin the pillar. The 3DMHD modelingimprove understanding ofthe POSeffects in limb prominence oscillations observations.The results of the modeling are useful for coronal seismology of the prominence structure.

Leon Ofman↗

3P Program: Phenotyping X Prediction = Productivity (Final Scientific/Technical Report)

The goal of the 3P Program was to establish integrated, real-time phenotyping and to analyze above- and below-ground plant architecture and total carbon partitioning and allocation to predict heterosis and develop superior crop hybrids by fully leveraging the Sorghum gene pool. There were two overarching themes: 1) the development of a new crop improvement approach utilizing advances in high-throughput phenotyping (HTP), computing, and genomics for public dissemination and 2) leveraging this platform for sorghum crop improvement and commercialization. The Clemson team worked on creating genomic resources and using both statistical learning and high-throughput phenotyping in genomics-assisted breeding. Research was broadly interested in the genetics of carbon partitioning, with the aim of improving crop performance and achieving sustainability. The technology and resources created can be readily found in the public domain and serve to advance scientific understanding of crop genomics and breeding. Genomic prediction was able to identify top crosses to be made, and a hybrid prediction pipeline is in place to drive year-over-year genetic gain. Roots have long been ignored by plant breeders and agronomists, not because they are unimportant but because they are hard to measure. This is an untapped white space of potential insight and innovation. To address this, Hi Fidelity Genetics developed the RootTracker to measure roots in the field on a continuous basis. A database system called RootTracker Tracker was developed to handle data coming from the RootTrackers. In using this device, valuable data was observed for plant breeding, hydrochemical development, and other agricultural biology applications. Carnegie Mellon’s goal was developing new techniques to generate high-resolution 3D models of plants from data collected in the field. The idea was that more useful and more informative phenotypes could be extracted by resolving small features, such as seeds and flowers, and that by modeling in 3D, the spatial structure of plants could be examined. To achieve this, multiple images collected by a new small format structured light stereo imager were fused together. A sorghum panicle modeling pipeline was developed to allow the collection and processing of data. Carolina Seed Systems is an agricultural technology company focused on decarbonizing the agricultural system. Their technology pipeline serves to drive fundamental progress towards creation and distribution of carbon negative crops. The genomic and the engineering technology developed through the 3P Program was leveraged to deliver both value and sustainability from the grower to the consumer. Promising sorghum hybrids were scaled up and commercialized. The overall goal of our research was to integrate, create, and deploy genetic and engineering concepts and technologies to enhance crop productivity in a sustainable fashion. The combination of public and private partners allowed the basic research and hypothesis testing to be quickly accelerated for commercial application by the companies yet maintained that the core framework and academic insights remain in the public domain for continued market disruption, competition, and innovation.

59 BASIC BIOLOGICAL SCIENCES↗

Hyporheic Exchange Due to Cobbles on Sandy Beds

Hyporheic exchange induced by riverbed topography and roughness provides important ecosystem functions. We investigated how cobble clusters embedded in a finer-grained sand bed affect the near-bed channel flow and the exchange of surface and subsurface water. We tested how the spacing and embeddedness of cobbles altered hyporheic exchange through a three-dimensional fully coupled surface-subsurface model. The 3D modeling framework captured the full physics of the exchange process locating the lateral position of upwelling zones on the side of the cobble. As the cobbles protrude more into the channel, eddies appear downstream, with smaller vortices where cobbles are closer together. In our simulations, hyporheic exchange increased with the spacing and protrusion ratio. The travel time in the hyporheic zone also increased with the protrusion ratio because the hyporheic flow paths are longer when the cobble is more protruded. With different spacings at the highest protrusion ratio, the average slope of early time breakthrough curve was steeper for large spacing settings: the travel time increases as the spacing decreases.

54 ENVIRONMENTAL SCIENCES↗

Reaction Diffusion Modelling of 3D Pillar Electrodes in Single-Catalyst CO 2 Reduction Cascades

Effective electrochemical CO 2 reduction to liquid fuels requires that the local catalytic environment facilitates the desired reactivity, yet a microscopic understanding of this environment is difficult to achieve from experiment alone. In this work, a 3D reaction-diffusion model was developed to explore the effects of electrode surface area and local geometry on the performance of a heterogeneous catalyst that performs a two-step CO 2 reduction cascade reaction to CO and then CH 3 OH under aqueous conditions. Kinetic parameters for the model were inspired by experimental results using a cobalt phthalocyanine (CoPc) catalyst. Three-dimensional architectures composed of arrays of square pillars with varying dimensions and either smooth or periodically modulated surfaces were tested, revealing the extent to which geometry modulates the performance of the cascade reactions. Although structural variations modulate local concentration gradients, we find that electrochemically active surface area predominantly governs the overall cascade reaction. Moreover, the results suggest that supersaturation of CO, with concentrations up to ten-fold higher than the equilibrium solubility limit, might be critical for more efficient conversion to CH 3 OH. For any given geometry, the spatially averaged ratio of [CO] to [CO 2 ] is dictated by the electrochemically active surface area and determines the yield of CH 3 OH. For a fixed surface area, geometries that spatially confine the electrolyte yield moderate local [CO] to [CO 2 ] ratios within small volumes. In contrast, less confining geometries result in a broader distribution of local ratios spread over larger volumes, with both configurations yielding the same spatially averaged [CO] to [CO 2 ] ratio. These insights provide valuable design principles—highlighting the critical importance of surface area and possibly CO supersaturation—for engineering advanced electrode architectures that leverage intermediate trapping and CO supersaturation to enhance overall performance in tandem CO 2 reduction systems.

COMSOL↗

First Step in Validating the Radiological Inventories of the Current French Nuclear Fleet - 19000

To anticipate the evolution of the mechanical characteristics of its PWR vessels, EDF developed a vessels fluence monitoring program. This program was based on vessel samples and neutron dosimeters deployed between the fuel assemblies and vessels. These samples and dosimeters are regularly analyzed in laboratories. To calculate the radioactive inventories, we have developed a calculation scheme which includes a 3D mapping of the neutron flux, the calculation of the radiological inventories of the structures of interest, and finally the validation of the results. The validation needs samples to propose calculation/measurement ratios. Unfortunately before the final shut down, the internal and vessel samplings are not possible. To anticipate the decommissioning of the current French nuclear fleet, this paper shows how the samples of the vessels fluence monitoring program can be used to validate the calculated radiological inventories. Using state-of-the-art simulations (i.e. 3D geometric model, 3D neutron sources, 3D neutron propagation, operational fuel loading coupled with effective power distributions) we calculated the radiological inventories of some vessel fluence monitoring program samples. The comparisons between calculated and measured results were done on 'standard chemical elements'. To qualify a chemical element as 'standard', many criteria must be satisfied such as a high concentration level, a low uncertainty about concentration, activation into an expanded cross section range, production of radionuclides having significant half-lives and finally no difficulties measuring the radionuclides produced. The retained 'standard' is Fe which produces, under neutrons flux, Fe-55. The comparisons show that the calculations slightly overestimate the measurements. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗