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At least 955 records · Page 53

Weak shock compaction on granular salt

This study conducted integrated experiments and computational modeling to investigate the speeds of a developing shock within granular salt and analyzed the effect of various impact velocities up to 245 m/s. Experiments were conducted on table salt utilizing a novel setup with a considerable bore length for the sample, enabling visualization of a moving shock wave. Experimental analysis using particle image velocimetry enabled the characterization of shock velocity and particle velocity histories. Mesoscale simulations further enabled advanced analysis of the shock wave’s substructure. In simulations, the shock front’s precursor was shown to have a heterogeneous nature, which is usually modeled as uniform in continuum analyses. The presence of force chains results in a spread out of the shock precursor over a greater ramp distance. With increasing impact velocity, the shock front thickness reduces, and the precursor of the shock front becomes less heterogeneous. Furthermore, mesoscale modeling suggests the formation of force chains behind the shock front, even under the conditions of weak shock. This study presents novel mesoscale simulation results on salt corroborated with data from experiments, thereby characterizing the compaction front speeds in the weak shock regime.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Data Analysis Approaches for the Risk-Informed Safety Margins Characterization Toolkit

In the past decades, several numerical simulation codes have been employed to simulate accident dynamics (e.g., RELAP5-3D, RELAP-7, MELCOR, MAAP). In order to evaluate the impact of uncertainties into accident dynamics, several stochastic methodologies have been coupled with these codes. These stochastic methods range from classical Monte-Carlo and Latin Hypercube sampling to stochastic polynomial methods. Similar approaches have been introduced into the risk and safety community where stochastic methods (such as RAVEN, ADAPT, MCDET, ADS) have been coupled with safety analysis codes in order to evaluate the safety impact of timing and sequencing of events. These approaches are usually called Dynamic PRA or simulation-based PRA methods. These uncertainties and safety methods usually generate a large number of simulation runs (database storage may be on the order of gigabytes or higher). The scope of this paper is to present a broad overview of methods and algorithms that can be used to analyze and extract information from large data sets containing time dependent data. In this context, “extracting information” means constructing input-output correlations, finding commonalities, and identifying outliers. Some of the algorithms presented here have been developed or are under development within the RAVEN statistical framework.

97 MATHEMATICS AND COMPUTING↗

The SPTpol Extended Cluster Survey

We describe the observations and resultant galaxy cluster catalog from the 2770 deg2 SPTpol Extended Cluster Survey (SPT-ECS). Clusters are identified via the Sunyaev–Zel'dovich (SZ) effect and confirmed with a combination of archival and targeted follow-up data, making particular use of data from the Dark Energy Survey (DES). With incomplete follow-up we have confirmed as clusters 244 of 266 candidates at a detection significance ξ ≥ 5 and an additional 204 systems at 4 < ξ < 5. The confirmed sample has a median mass of ${M}_{500c}\sim 4.4\times {10}^{14}\,{M}_{\odot }\,{h}_{70}^{-1}$ and a median redshift of z = 0.49, and we have identified 44 strong gravitational lenses in the sample thus far. Radio data are used to characterize contamination to the SZ signal; the median contamination for confirmed clusters is predicted to be ~1% of the SZ signal at the ξ > 4 threshold, and <4% of clusters have a predicted contamination >10% of their measured SZ flux. We associate SZ-selected clusters, from both SPT-ECS and the SPT-SZ survey, with clusters from the DES redMaPPer sample, and we find an offset distribution between the SZ center and central galaxy in general agreement with previous work, though with a larger fraction of clusters with significant offsets. Adopting a fixed Planck-like cosmology, we measure the optical richness–SZ mass ($\lambda -M$) relation and find it to be 28% shallower than that from a weak-lensing analysis of the DES data—a difference significant at the 4σ level—with the relations intersecting at λ = 60. The SPT-ECS cluster sample will be particularly useful for studying the evolution of massive clusters and, in combination with DES lensing observations and the SPT-SZ cluster sample, will be an important component of future cosmological analyses.

79 ASTRONOMY AND ASTROPHYSICS↗

NeuroSEM: A hybrid framework for simulating multiphysics problems by coupling PINNs and spectral elements

Multiphysics problems that are characterized by complex interactions among fluid dynamics, heat transfer, structural mechanics, and electromagnetics, are inherently challenging due to their coupled nature. While experimental data on certain state variables may be available, integrating these data with numerical solvers remains a significant challenge. Physics-informed neural networks (PINNs) have shown promising results in various engineering disciplines, particularly in handling noisy data and solving inverse problems in partial differential equations (PDEs). However, their effectiveness in forecasting nonlinear phenomena in multiphysics regimes, particularly involving turbulence, is yet to be fully established. Here, this study introduces NeuroSEM, a hybrid framework integrating PINNs with the highfidelity Spectral Element Method (SEM) solver, Nektar++. NeuroSEM leverages the strengths of both PINNs and SEM, providing robust solutions for multiphysics problems. PINNs are trained to assimilate data and model physical phenomena in specific subdomains, which are then integrated into the Nektar++ solver. We demonstrate the efficiency and accuracy of NeuroSEM for thermal convection in cavity flow and flow past a cylinder. The framework effectively handles data assimilation by addressing those subdomains and state variables where the data is available. We applied NeuroSEM to the Rayleigh-B´enard convection system, including cases with missing thermal boundary conditions and noisy datasets. Finally, we applied the proposed NeuroSEM framework to real particle image velocimetry (PIV) data to capture flow patterns characterized by horseshoe vortical structures. Our results indicate that NeuroSEM accurately models the physical phenomena and assimilates the data within the specified subdomains. The framework’s plug-and-play nature facilitates its extension to other multiphysics or multiscale problems. Furthermore, NeuroSEM is optimized for efficient execution on emerging integrated GPU-CPU architectures. This hybrid approach enhances the accuracy and efficiency of simulations, making it a powerful tool for tackling complex engineering challenges in various scientific domains.

42 ENGINEERING↗

FY21 Status Report on Creep Rupture Testing at ANL to Support the Development of Alloy 709 Code Case

This report provides an update on the status of the creep rupture testing on the first commercial heat of Alloy 709 in support of the Alloy 709 Code Case development. Creep tests were performed in air on the lever-arm load frames in the Mechanical and Environmental Testing Laboratory at Argonne National Laboratory (ANL). In FY21, the focus was on the age-hardened ESR-1150°C material. Twenty two tests were initiated, among which ten were completed. This report presents the data from the completed tests. Metallographic characterization of the fractured specimens were performed and the results are included. The creep data enabled the preliminary analysis of the creep behavior of this material. The characterization showed the effect of test temperature and stress on the deformation microstructure.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Thermal Cycling and Ratchet Growth of TATB and PBX 9502

The irreversible volume expansion, or ratchet growth, of TATB and PBX 9502 (95 weight% TATB) compactions has been quantified over a wide range of thermal cycles. While the precise TATB texture distributions of these specimen sets are likely different from each other, we believe they are consistent within each set, as the expansion data show reproducibility and consistency. These data provide a baseline characterization of the ratchet growth phenomenon in these materials. The increased expansion that comes with changes in the temperature range of the cycles is quantified, repeated hot cycles growing far more than cold. For thermal cycles above ambient where the temperature range is increased in subsequent cycles, the growth of a given cycle is shown to be dictated by previously-established growth trajectories, and the specimen will grow according to the growth potential associated with the temperature range of the present cycle. Alternating hot-cold cycles greatly enhances the cold-cycle contributions as compared to the growth of cold cycles alone. These “rules” of ratchet growth are first established, then observed to hold true for more complex sequences of hot and cold cycles. Finally, a simple equation is used to parameterize the response of individual data sets.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Overcoming Oxidation State-Dependent Spectral Interferences: Online Monitoring of U(VI) Reduction to U(IV) via Raman and UV–vis Spectroscopy

Analytical characterization of chemical processes is an essential component of both industrial processes and fundamental studies. Applicable techniques abound, but optical spectroscopy has the unique combination of being easily incorporated into on-line (in-situ) monitoring probes and can also provide abundant chemical information (concentration, oxidation state, speciation). However, this abundance of chemical information can make applying optical spectroscopy to complex chemical processes challenging. This is particularly evident in the bulk electrolysis of U(VI) to U(IV), an essential preparatory step in some nuclear fuel recycling schemes. Starting and product materials have interfering spectral signatures in both electronic and vibrational spectroscopies, making accurate and real-time analysis difficult to achieve. In this paper, we discuss the application of optical spectroscopy to the on-line monitoring of a bulk electrolysis process and the methods utilized to analyze data as well as characterize the efficiency and mechanism of U(IV) generation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Assessing the limitations of commercial sensors and models for supporting marine carbon dioxide removal monitoring: a case study

Several unknowns remain surrounding marine Carbon Dioxide Removal (mCDR) monitoring, reporting, and verification (MRV) practices and capabilities. Current in-situ sensor technology is limited (primarily pH and pCO 2 ), requiring calculations and assumptions to estimate changes in carbonate chemistry parameters, including total alkalinity (TA). Considering that cost, energy consumption, and accuracy of commercial sensors can vary by orders of magnitude, understanding how well existing sensors perform in an mCDR context is important for this emerging community. Likewise, documenting sensor limitations and how relatively simple models can optimize sensor deployments will improve MRV efforts and support protocol development. Here we (1) compare performance a variety of commercially available sensors in a blind mesocosm experiment simulating ocean alkalinity enhancement (OAE), and how sensor performance impacted carbonate chemistry estimates; (2) evaluate if sensors can distinguish the OAE signal from natural variability during a small scale OAE field test in Sequim Bay, WA, USA, and (3) use an idealized ocean biogeochemistry model to explore optimal sensor network design based on (1) and (2). Our mesocosm results indicate that correctly constraining pH uncertainty will be critical for accurate TA estimates with current sensor technology compared to the less impactful variation caused by uncertainty in pCO 2 (pH data that are presented throughout are reported on the total scale (pH T ) unless otherwise noted). Our pilot field test demonstrated that sensors were capable of distinguishing mCDR signatures from natural variability under optimal real-world conditions. Idealized modeling simulations of the field test showed that a range of sparse and dense (3 to 100) sensors sampling areas of detectable increases will underestimate the net change in surface pH by at least 35–55%, at both realistic and highly elevated alkalinity input levels. We also highlight the limitations of current sensing technology for MRV, and the importance of ocean biogeochemistry models as critical tools for predicting when and where mCDR signals will be detectable using available sensors. Overall, our findings suggest that commercially available pCO 2 sensors and some pH sensors will form an important backbone for mCDR MRV tasks, though complete MRV characterization will require these data to be used in combination with other tools.

OAE↗

Mechanism of Microseismic Generation During Hydraulic Fracturing - With Evidence From HFTS 2 Observations

The objective of this study is to understand how microseismic events are generated during hydraulic fracturing, as well as the role of geomechanical conditions (i.e., stress and mechanical stratigraphy) in this process. In the industry, microseismic event clouds have been generally used as an “outer-boundary” of the “stimulated reservoir volume” (SRV). However, by comparing with other surveillance data (Low frequency Distributed Acoustic Sensing, or LF-DAS strain) in the Hydraulic Fracturing Test Site (HFTS) 2 experiment, we show that this assumption is fundamentally flawed. The HFTS 2 data has three unique observations that have not been commonly observed in other datasets: 1. Due to influence of offset pad depletion, microseismic data shows that hydraulic fractures from the child well can propagate over 3000 feet into the depleted low stress zone. 2. By comparing microseismic and horizontal fiber LF-DAS strain data, we observe that microseismic event cloud does not necessarily reflect the created hydraulic fracture volume. Particularly, the extent of microseismic event clouds near heel stages are much shorter than what is shown with LF-DAS strain data. 3. Microseismic event magnitudes are larger in the depleted regions. Through geomechanical analysis, we demonstrate that the “bedding-plane-slip” model is likely the mechanism for microseismic generation during hydraulic fracturing. Furthermore, this model successfully explains the above field observations from HFTS 2 experiment. We also provide a quantitative relationship connecting the microseismic event magnitude with fracture width increment and layer mechanical property contrast.

58 GEOSCIENCES↗

Towards modelling ghostly damped Ly α s

ABSTRACT We use simple models of the spatial structure of the quasar broad-line region (BLR) to investigate the properties of so-called ghostly damped Ly α (DLA) systems detected in Sloan Digital Sky Survey (SDSS) data. These absorbers are characterized by the presence of strong metal lines but no H i Ly α trough is seen in the quasar spectrum indicating that, although the region emitting the quasar continuum is covered by an absorbing cloud, the BLR is only partially covered. One of the models has a spherical geometry, another one is the combination of two wind flows, whereas the third model is a Keplerian disc. The models can reproduce the typical shape of the quasar Ly α emission and different ghostly configurations. We show that the DLA H i column density can be recovered precisely independently of the BLR model used. The size of the absorbing cloud and its distance to the centre of the AGN are correlated. However, it may be possible to disentangle the two using an independent estimate of the radius from the determination of the particle density. Comparison of the model outputs with SDSS data shows that the wind and disc models are more versatile than the spherical one and can be more easily adapted to the observations. For all the systems, we derive log N(H i)(cm−2) > 20.5. With higher quality data, it may be possible to distinguish between the models.

Laloux, Brivael↗

GIS Resource Compilation Map Package - Applications of Machine Learning Techniques to Geothermal Play Fairway Analysis in the Great Basin Region, Nevada

This submission contains an ESRI map package (.mpk) with an embedded geodatabase for GIS resources used or derived in the Nevada Machine Learning project, meant to accompany the final report. The package includes layer descriptions, layer grouping, and symbology. Layer groups include: new/revised datasets (paleo-geothermal features, geochemistry, geophysics, heat flow, slip and dilation, potential structures, geothermal power plants, positive and negative test sites), machine learning model input grids, machine learning models (Artificial Neural Network (ANN), Extreme Learning Machine (ELM), Bayesian Neural Network (BNN), Principal Component Analysis (PCA/PCAk), Non-negative Matrix Factorization (NMF/NMFk) - supervised and unsupervised), original NV Play Fairway data and models, and NV cultural/reference data. See layer descriptions for additional metadata. Smaller GIS resource packages (by category) can be found in the related datasets section of this submission. A submission linking the full codebase for generating machine learning output models is available through the "Related Datasets" link on this page, and contains results beyond the top picks present in this compilation.

15 GEOTHERMAL ENERGY↗

MULTI-MODAL global surveillance methodology for predictive and on-demand characterization of localized processes using cube satellite platforms and deep learning techniques

This paper presents the work completed towards the development of a multi-modal global surveillance methodology using cube satellite (CubeSat) platforms and novel data analysis techniques. A CubeSat system equipped with adequate sensors and data analytics capabilities can autonomously characterize various phenomena of interest on the Earth’s surface. CubeSats are advantageous over conventional satellites in certain remote monitoring applications because of their reduced construction costs (due to the availability of commercially-off-the-shelf components) and are easier to launch. The CubeSat surveillance system developed in this paper focused on phenomena of interest surrounding the nuclear fuel cycle in support of nuclear non-proliferation and emergency response. To observe the phenomena, a constellation of 3U and 6U CubeSats deployed from the ISS with adequate components was chosen. Four different sensor configurations were identified for remote sensing: panchromatic/multispectral in the visible and near-infrared spectrum, multispectral in infrared spectrum, hyperspectral in infrared spectrum, and multispectral in ultraviolet spectrum. While a panchromatic/multispectral sensor configuration has CubeSat flight heritage at the required spatial resolutions, the other three sensor types need future 3 development to meet signature and system requirements. Once each sensor onboard the CubeSat system collects data on a target of interest, the onboard computers would then apply the deep learning-based characterization methodology developed in this paper to identify phenomena. Four surrogate datasets containing representative simplified “images” were created for each sensor type to train the characterization methodology. A convolutional neural network was applied to each dataset and produced recall rates for the phenomena between 89.7% - 99.3% and precision rates between 92.3% - 99.9%. Each phenomenon’s presence probability from each network is then combined into a final characterization solution for a target area. This paper covers multiple interdisciplinary areas to develop the foundation for a CubeSat surveillance system focused on phenomena surrounding the nuclear fuel cycle.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Utah FORGE: Well Data for Student Competition

Well 58-32 (previously labeled MU-ESW1) was drilled near Milford Utah during Phase 2B of the FORGE Project to confirm geothermal reservoir characteristics met requirements for the final FORGE site. Well Accord-1 was drilled decades ago for geothermal exploration purposes. While the conditions encountered in the well were not suitable for developing a conventional hydrothermal system, the information obtained suggested the region may be suitable for an enhanced geothermal system. Geophysical well logs were collected in both wells to obtain useful information regarding there nature of the subsurface materials. For the recent testing of 58-32, the Utah FORGE Project contracted with the well services company Schlumberger to collect the well logs.

15 GEOTHERMAL ENERGY↗

Discovery and characterization of a neutralizing pan-ELR+CXC chemokine monoclonal antibody

CXCR1 and CXCR2 signaling play a critical role in neutrophil migration, angiogenesis, and tumorigenesis and are therefore an attractive signaling axis to target in a variety of indications. In human, a total of seven chemokines signal through these receptors and comprise the ELR + CXC chemokine family, so named because of the conserved ELRCXC N-terminal motif. To fully antagonize CXCR1 and CXCR2 signaling, an effective therapeutic should block either both receptors or all seven ligands, yet neither approach has been fully realized clinically. In this work, we describe the generation and characterization of LY3041658, a humanized monoclonal antibody that binds and neutralizes all seven human and cynomolgus monkey ELR + CXC chemokines and three of five mouse and rat ELR+CXC chemokines with high affinity. LY3041658 is able to block ELR + CXC chemokine-induced Ca 2+ mobilization, CXCR2 internalization, and chemotaxis in vitro as well as neutrophil mobilization in vivo without affecting other neutrophil functions. In addition to the in vitro and in vivo activity, we characterized the epitope and structural basis for binding in detail through alanine scanning, crystallography, and mutagenesis. Together, these data provide a robust preclinical characterization of LY3041658 for which the efficacy and safety is being evaluated in human clinical trials for neutrophilic skin diseases.

59 BASIC BIOLOGICAL SCIENCES↗

Offshore reanalysis wind speed assessment across the wind turbine rotor layer off the United States Pacific coast

Abstract. The California Pacific coast is characterized by considerable wind resource and areas of dense population, propelling interest in offshore wind energy as the United States moves toward a sustainable and decarbonized energy future. Reanalysis models continue to serve the wind energy community in a multitude of ways, and the need for validation in locations where observations have been historically limited, such as offshore environments, is strong. The U.S. Department of Energy (DOE) owns two lidar buoys that collect wind speed observations across the wind turbine rotor layer along with meteorological and oceanographic data near the surface to characterize the wind resource. Lidar buoy data collected from recent deployments off the northern California coast near Humboldt County and the central California coast near Morro Bay allow for validation of commonly used reanalysis products. In this article, wind speeds from the Modern-Era Retrospective analysis for Research and Applications version 2 (MERRA-2), the Climate Forecast System version 2 (CFSv2), the North American Regional Reanalysis (NARR), the European Centre for Medium-Range Weather Forecasts Reanalysis version 5 (ERA5), and the analysis system of the Rapid Refresh (RAP) are validated at heights within the wind turbine rotor layer ranging from 50 to 100 m. The validation results offer guidance on the performance and uncertainty associated with utilizing reanalyses for offshore wind resource characterization, providing the offshore wind energy community with information on the conditions that lead to reanalysis error. At both California coast locations, the reanalyses tend to underestimate the observed rotor-level wind resource. Occasions of large reanalysis error occur in conjunction with stable atmospheric conditions, wind speeds associated with peak turbine power production (> 10 m s−1), and mischaracterization of the diurnal wind speed cycle in summer months.

17 WIND ENERGY↗

Analyzing the errors of DFT approximations for compressed water systems

We report an extensive study of the errors of density functional theory (DFT) approximations for compressed water systems. The approximations studied are based on the widely used PBE and BLYP exchange-correlation functionals, and we characterize their errors before and after correction for 1- and 2-body errors, the corrections being performed using the methods of Gaussian approximation potentials. The errors of the uncorrected and corrected approximations are investigated for two related types of water system: first, the compressed liquid at temperature 420 K and density 1.245 g/cm{sup 3} where the experimental pressure is 15 kilobars; second, thermal samples of compressed water clusters from the trimer to the 27-mer. For the liquid, we report four first-principles molecular dynamics simulations, two generated with the uncorrected PBE and BLYP approximations and a further two with their 1- and 2-body corrected counterparts. The errors of the simulations are characterized by comparing with experimental data for the pressure, with neutron-diffraction data for the three radial distribution functions, and with quantum Monte Carlo (QMC) benchmarks for the energies of sets of configurations of the liquid in periodic boundary conditions. The DFT errors of the configuration samples of compressed water clusters are computed using QMC benchmarks. We find that the 2-body and beyond-2-body errors in the liquid are closely related to similar errors exhibited by the clusters. For both the liquid and the clusters, beyond-2-body errors of DFT make a substantial contribution to the overall errors, so that correction for 1- and 2-body errors does not suffice to give a satisfactory description. For BLYP, a recent representation of 3-body energies due to Medders, Babin, and Paesani [J. Chem. Theory Comput. 9, 1103 (2013)] gives a reasonably good way of correcting for beyond-2-body errors, after which the remaining errors are typically 0.5 mE{sub h} ≃ 15 meV/monomer for the liquid and the clusters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Modeling and characterizing anisotropic inclusion orientation in heterogeneous material via directional cluster functions and stochastic microstructure reconstruction

We present a framework to model and characterize the microstructure of heterogeneous materials with anisotropic inclusions of secondary phases based on the directional correlation functions of the inclusions. Specifically, we have devised an efficient method to incorporate both directional two-point correlation functions S{sub 2} and directional two-point cluster functions C{sub 2} that contain non-trivial topological connectedness information into the simulated annealing microstructure reconstruction procedure. Our framework is applied to model an anisotropic aluminum alloy and the accuracy of the reconstructed structural models is assessed by quantitative comparison with the actual microstructure obtained via x-ray tomography. We show that incorporation of directional clustering information via C{sub 2} significantly improves the accuracy of the reconstruction. In addition, a set of analytical “basis” correlation functions are introduced to approximate the actual S{sub 2} and C{sub 2} of the material. With the proper choice of basis functions, the anisotropic microstructure can be represented by a handful of parameters including the effective linear sizes of the iron-rich and silicon-rich inclusions along three orthogonal directions. This provides a general and efficient means for heterogeneous material modeling that enables one to significantly reduce the data set required to characterize the anisotropic microstructure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Mechanical Ventilation and Indoor Air Quality in Recently Constructed U.S. Homes in Marine and Cold-Dry Climates Data from Building America Project

Data were collected to characterize whole-house mechanical ventilation (WHMV) and indoor air quality (IAQ) in 55 homes in the Marine climate of Oregon and Cold-Dry climate of Colorado in the U.S. Sixteen homes were monitored for two weeks, with and without WHMV operating. Ventilation airflows; airtightness; time-resolved CO2, PM2.5 and radon; and time-integrated NO2, NOX and formaldehyde were measured. Participants provided information about IAQ-impacting activities, perceptions and ventilation use. All homes had operational cooktop ventilation and bathroom exhaust. Thirty homes had equipment that could meet the ASHRAE 62.2-2010 standard with continuous or controlled runtime and 34 had some WHMV operating as found. Thirty-five of 46 participants with WHMV reported they did not know how to operate it, and only half of the systems were properly labeled. Two-week homes had lower formaldehyde, radon, CO2, and NO (NOX-NO2) when operated with WHMV; and also had faster PM2.5 decays following indoor emission events. Overall IAQ satisfaction was similar in Oregon and Colorado, but more Colorado participants (19 vs. 3%) felt their IAQ could be improved and more reported dryness as a problem (58 vs. 14%). The collected data indicate that there are benefits of operating WHMV, even when continuous use may not be needed because outdoor pollutant concentrations are low and indoor sources do not present substantial challenges.

air quality↗