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Challenges for monitoring and data analytics in a leadership public data repository

The availability and disposition of data has assumed increasing importance in large-scale computational science. Data repositories are evolving to meet new classes of requirements: compliance with government access guidelines, support for reproducibility of experimental results, and long-term availability of data products. The Constellation public data repository at the Oak Ridge Leadership Computing Facility faces these issues while being situated in one of the most productive data centers in the world. While monitoring and operational data analysis are ingrained in the operation of the OLCF’s large-scale high performance computing platforms, data repositories do not have this history of support. Problems faced by Constellation range from data size (over 7 petabytes in current holdings) to analytic complexity (detailed curation is both absolutely necessary for many data sets and absolutely impossible for humans to accomplish in any practical manner) to deployment environment (OLCF storage resources are oriented toward the needs of the compute platforms). In this paper we describe some of the challenges for collecting monitoring and analytic data from a leadership public data repository. We also discuss various strategies we are pursuing in order to address these challenges, from manual data collection to plans for introducing machine learning-based curatorial techniques.

Widener, Patrick [ORNL] (ORCID:0000000258820816)↗

The Global LAnd Surface Satellite (GLASS) evapotranspiration product Version 5.0: Algorithm development and preliminary validation

An accurate estimation of spatially and temporally continuous global terrestrial evapotranspiration (ET) is essential in the assessment of surface energy, water and carbon cycles. The Global LAnd Surface Satellite (GLASS) ET product Version 4.0 (v4.0) based on the Bayesian model averaging (BMA) method was generated to estimate global terrestrial ET. However, certain uncertainty for the GLASS ET product v4.0 limits its application. In this study, we introduced the deep neural networks (DNN) merging framework to improve terrestrial ET estimation for GLASS ET product Version 5.0 (v5.0) generation by integrating five satellite-derived ET products [Moderate Resolution Imaging Spectroradiometer (MODIS) ET product (MOD16), Shuttleworth–Wallace dual-source ET product (SW), Priestley–Taylor-based ET product (PT-JPL), modified satellite-based Priestley–Taylor ET product (MS-PT) and simple hybrid ET product (SIM)]. We compared the performance of DNN method against other merging methods, including GLASS ET algorithm v4.0 (BMA), the gradient boosting regression tree (GBRT) method and the random forest (RF) method, based on 195 global eddy covariance (EC) flux towers covering observations from 2000 through 2015. Validations indicated that the DNN had the highest accuracy among four merging methods across different land cover types, yielding the highest average determination coefficients (R 2 , 0.62), root-mean-squared-error (RMSE, 24.1 W/m 2 ) and Kling–Gupta efficiency (KGE, 0.77) with a of 99% confidence interval. Compared with GLASS ET algorithm v4.0, the DNN improved on the R 2 by approximately 7% (p < 0.01) and the KGE by 10%. Based on the DNN, we then generated 8-day GLASS ET product v5.0 globally with a 1 km spatial resolution from 2001 to 2015 driven by GLASS vegetation and surface net radiation (R n ) datasets and Modern-Era Retrospective Analysis for Research and Applications, Version 2 (MERRA2) datasets. Finally, this global terrestrial ET product provides a valuable dataset for monitoring regional and global water resources and environmental changes.

54 ENVIRONMENTAL SCIENCES↗

Dinuclear Gold(I) Complexes Bearing Alkyl-Bridged Bis(N-heterocyclic carbene) Ligands as Catalysts for Carboxylative Cyclization of Propargylamine: Synthesis, Structure, and Kinetic and Mechanistic Comparison to the Mononuclear Complex [Au(IPr)Cl]

Eight new dinuclear gold(I) complexes, [Au 2 (L)X 2 ] (1–8), were synthesized using a straightforward synthetic procedure under very mild conditions. The complexes have been characterized by NMR spectroscopy, elemental analysis, and single-crystal X-ray structure analysis. Their catalytic activity was investigated in the carboxylative cyclization of propargylamine (PPA). A superior performance in comparison to [Au(IPr)Cl] (9) was obtained for complexes 1 and 2 having an eight-methylene bridge connecting two NHCs with an arene bearing an isopropyl substituent for X = Cl, Br. This prompted more detailed kinetic and mechanistic studies by FTIR comparing dinuclear complex 2 of X = Cl to complex 9. Fortuitously the FTIR studies allowed monitoring of the formation of the products carbamic acid (CA) and carbamate salt (CS), as well as a key cyclized intermediate first discovered by Ikariya. These data allow additional insight into the mechanism as well as the central role which may be played by Au(I) carbamate formation as a higher energy resting state present in the catalytic cycle. In conclusion, the crystal structures of four of the new complexes and a detailed computational study relevant to the role of carbamic acid (CA) and carbamates in the catalytic cycle are also reported.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Direct Observation of Morphological and Chemical Changes during the Oxidation of Model Inorganic Ligand-Capped Particles

Functionalization and volatilization are competing reactions during the oxidation of carbonaceous materials and are important processes in many different areas of science and technology. Here, we present a combined ambient pressure X-ray photoelectron spectroscopy (APXPS) and grazing incidence X-ray scattering (GIXS) investigation of the oxidation of oleic acid ligands surrounding NaYF 4 nanoparticles (NPs) deposited onto SiO x /Si substrates. While APXPS monitors the evolution of the oxidation products, GIXS provides insight into the morphology of the ligands and particles before and after the oxidation. Our investigation shows that the oxidation of the oleic acid ligands proceeds at O 2 partial pressures of below 1 mbar in the presence of X-rays, with the oxidation eventually reaching a steady state in which mainly CH x and –COOH functional groups are observed. The scattering data reveal that the oxidation and volatilization reaction proceeds preferentially on the side of the particle facing the gas phase, leading to the formation of a chemically and morphologically asymmetric ligand layer. This comprehensive picture of the oxidation process could be obtained only by combining the X-ray scattering and APXPS data. The investigation presented here lays the foundation for further studies of the stability of NP layers in the presence of reactive trace gases and ionizing radiation and for other nanoscale systems where chemical and morphological changes happen simultaneously and cannot be understood in isolation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Measurements of fusion reaction history in inertially confined burning plasmas

Direct evidence of inertially confined fusion ignition appears in the abrupt temperature increase and consequent rapid increase in the thermonuclear burn rate as seen in the reaction history. The Gamma Reaction History (GRH) and Gas Cherenkov Detector (GCD) diagnostics are γ-based Cherenkov detectors that provide high quality measurements of deuterium–tritium fusion γ ray production and are, thus, capable of monitoring the thermonuclear burn rate. Temporal shifts in both peak burn time and burn width have been observed during recent high-yield shots (yields greater than 1017 neutrons) and are essential diagnostic signatures of the ignition process. While the current GRH and GCD detectors are fast enough to sense the changes of reaction history due to alpha heating, they do not have enough dynamic range to capture the onset of alpha heating. The next generation of instrumentation, GRH-15m, is proposed to increase the yield-rate coverage to measure the onset of alpha-heating.

42 ENGINEERING↗

UV-Fluorescence Imaging of Silicon PV Modules After Outdoor Aging and Accelerated Stress Testing

Fast, non-destructive, outdoor-compatible methods for photovoltaic module characterization are essential for monitoring module quality without disrupting energy production. UV-fluorescence (UVF) imaging of the encapsulant layer can be used for crack detection in the field. We show that UVF patterns vary widely between modules and types of applied stress. We propose that combining accelerated stress testing (e.g. thermal cycling and damp heat) with field investigations can help build understanding of different types of UVF, which are formed and subsequently quenched at varying rates. Ultimately, such understanding could enable estimating when cracks were formed.

41 EE - Solar Energy Technologies Office (EE-4S)↗

Climate Dynamics Preceding Summer Forest Fires in California and the Extreme Case of 2018

Recent record-breaking wildfire seasons in California prompt an investigation into the climate patterns that typically precede anomalous summer burned forest area. Using burned-area data from the U.S. Forest Service’s Monitoring Trends in Burn Severity (MTBS) product and climate data from the fifth major global reanalysis produced by the European Centre for Medium-Range Weather Forecasts (ERA5) over 1984–2018, relationships between the interannual variability of antecedent climate anomalies and July California burned area are spatially and temporally characterized. Lag correlations show that antecedent high vapor pressure deficit (VPD), high temperatures, frequent extreme high temperature days, low precipitation, high subsidence, high geopotential height, low soil moisture, and low snowpack and snowmelt anomalies all correlate significantly with July California burned area as far back as the January before the fire season. Seasonal regression maps indicate that a global midlatitude atmospheric wave train in late winter is associated with anomalous July California burned area. July 2018, a year with especially high burned area, was to some extent consistent with the general patterns revealed by the regressions: low winter precipitation and high spring VPD preceded the extreme burned area. However, geopotential height anomaly patterns were distinct from those in the regressions. Extreme July heat likely contributed to the extent of the fires ignited that month, even though extreme July temperatures do not historically significantly correlate with July burned area. While the 2018 antecedent climate conditions were typical of a high-burned-area year, they were not extreme, demonstrating the likely limits of statistical prediction of extreme fire seasons and the need for individual case studies of extreme years.

54 ENVIRONMENTAL SCIENCES↗

Laboratory Investigation of Gas Transport Through Variably Saturated Rock [Slides]

Project Overview: Noble gas fission products, such as xenon (Xe), are monitored to detect nuclear tests. For well-contained subsurface tests, transport to the surface will impact detected isotopic ratios, complicating event identification. Role of water saturation in subsurface transport is not well understood. Historic tests have taken place near or below the water table. To accurately predict breakthrough times and fractionation, gas transport must be characterized through intact rock with variable saturation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A double peak in the seasonality of California's photosynthesis as observed from space

Solar-induced chlorophyll fluorescence (SIF) has been shown to be a powerful proxy for photosynthesis and gross primary productivity (GPP). The recently launched TROPOspheric Monitoring Instrument (TROPOMI) features the required spectral resolution and signal-to-noise ratio to retrieve SIF from space. Here, we present a downscaling method to obtain 500 m spatial resolution SIF over California. We report daily values based on a 14 d window. TROPOMI SIF data show a strong correspondence with daily GPP estimates at AmeriFlux sites across multiple ecosystems in California. We find a linear relationship between SIF and GPP that is largely invariant across ecosystems with an intercept that is not significantly different from zero. Measurements of SIF from TROPOMI agree with MODerate Resolution Imaging Spectroradiometer (MODIS) vegetation indices – the normalized difference vegetation index (NDVI), enhanced vegetation index (EVI), and near-infrared reflectance of vegetation index (NIR$_v$) – at annual timescales but indicate different temporal dynamics at monthly and daily timescales. TROPOMI SIF data show a double peak in the seasonality of photosynthesis, a feature that is not present in the MODIS vegetation indices. The different seasonality in the vegetation indices may be due to a clear-sky bias in the vegetation indices, whereas previous work has shown SIF to have a low sensitivity to clouds and to detect the downregulation of photosynthesis even when plants appear green. We further decompose the spatiotemporal patterns in the SIF data based on land cover. The double peak in the seasonality of California's photosynthesis is due to two processes that are out of phase: grasses, chaparral, and oak savanna ecosystems show an April maximum, while evergreen forests peak in June. An empirical orthogonal function (EOF) analysis corroborates the phase offset and spatial patterns driving the double peak. The EOF analysis further indicates that two spatiotemporal patterns explain 84 % of the variability in the SIF data. Results shown here are promising for obtaining global GPP at sub-kilometer spatial scales and identifying the processes driving carbon uptake.

54 ENVIRONMENTAL SCIENCES↗

A measured energy use, solar production, and building air leakage dataset for a zero energy commercial building

This paper provides an open dataset of measured energy use, solar energy production, and building air leakage data from a 328 m 2 (3,531 ft 2 ) all-electric, zero energy commercial building in Virginia, USA. Over two years of energy use data were collected at 1-hour intervals using circuit-level energy monitors. Over six years of solar energy production data were measured at 1-hour resolution by 56 microinverters (presented as daily and monthly data in this dataset). The building air leakage data was measured post-construction per ASTM-E779 Standard Test Method for Determining Air Leakage Rate by Fan Pressurization and the United States Army Corps (USACE) Building Enclosure Testing procedure; both pressurization and depressurization results are provided. The architectural and engineering (AE) documents are provided to aid researchers and practitioners in reliable modeling of building performance. The paper describes the data collection methods, cleaning, and convergence with weather data. This dataset can be employed to predict, benchmark, and calibrate operational outcomes in zero energy commercial buildings.

14 SOLAR ENERGY↗

Application of Raman Spectroscopy to Determine Uranium Content in ADUN Solution

The work presented in this report is part of the ongoing efforts to address the nuclear material control and accounting needs for advanced reactor fuel fabrication facilities. This work was supported by the Materials Protection, Accounting, and Control Technologies (MPACT) program under the US Department of Energy Office of Nuclear Energy‘s Nuclear Fuel Cycle and Supply Chain program. The activities and engagements under the MPACT program are designed to support a robust US civilian nuclear energy enterprise. In the work described in this report, we supported MPACT objectives by developing measurement techniques that could be used for material accounting and process monitoring and by working with industry partners to identify existing gaps and areas for improvement. Oak Ridge National Laboratory has been working with commercial tristructural isotropic (TRISO) fuel fabricators such as Standard Nuclear to develop technology for rapid and cost-effective uranium content assessment. This work has focused on demonstrating advanced measurement techniques (e.g., Raman spectroscopy) that can be used for rapid, reliable, and cost-effective routine measurements of uranium content in feed solutions and liquid waste streams as well as for monitoring in-line process measurements and product streams. Specifically, this report explores techniques for accurately determining uranium content in acid-deficient uranyl nitrate (ADUN) solutions and detecting low uranium concentrations in ammonia solutions. Developing such measurement techniques will benefit TRISO fuel fabrication facilities, facilities involved in other parts of the fuel cycle that require online monitoring of aqueous solutions, and potentially molten salt fuel reactors. This work supports developing Raman spectroscopy procedures to determine uranium concentrations in ADUN solutions, which are used as feedstock in the sol–gel process for creating TRISO fuel. Some additional benefits of using Raman spectroscopy for uranium quantification in fabrication facilities include enabling online monitoring of the chemical process, which would provide near real-time feedback; eliminating the need for sample transfers, preparation, or dilution; providing nondestructive measurements; and user friendliness. In this fiscal year, FY25, we determined the identity of the unknown Raman band at approximately 853 cm−1 that was discovered in ADUN Raman spectra in FY24, created calibration curves and determined uranium concentrations of two ADUN solutions, and compared the Raman results to results obtained from inductively coupled plasma mass spectrometry and Davies–Gray titration. Furthermore, we have identified focus areas for experimentation in future fiscal years. A key result is that the accuracy of using Raman can provide accuracy comparable to destructive analysist techniques, With a well-developed calibration curve, using standards and a large number of samples (more than five samples), uncertainty on the order of 1%–3% is achievable. Given that the uncertainties achieved by Raman spectroscopy were on the order of the uncertainties achieved using ICP-MS, we conclude that with a well-developed procedure Raman spectroscopy can be used to determine uranium concentrations in ADUN solutions for NMC&A applications. The benefits of such an approach are that the time and effort will be less than that of comparable destructive analysis techniques, with approximately the same level of technical expertise. This will be attractive to operators of fuel fabrication facilities as it will lower costs and improve efficiencies.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Genetic Complexity of CC5 Staphylococcus aureus Isolates Associated with Sternal Bursitis in Chickens: Antimicrobial Resistance, Virulence, Plasmids, and Biofilm Formation

Sternal bursitis, a common inflammatory condition in poultry, poses significant challenges to both animal welfare and public health. This study aimed to investigate the prevalence, antimicrobial resistance, and genetic characteristics of Staphylococcus aureus isolates associated with sternal bursitis in chickens. Ninety-eight samples were collected from affected chickens, and 24 S. aureus isolates were identified. Antimicrobial susceptibility testing revealed resistance to multiple agents, with a notable prevalence of aminoglycoside resistance genes. Whole genome sequencing elucidated the genetic diversity and virulence profiles of the isolates, highlighting the predominance of clonal complex 5 (CC5) strains. Additionally, biofilm formation assays demonstrated moderate biofilm production capacity among the isolates. These findings underscore the importance of vigilant monitoring and targeted interventions to mitigate the impact of sternal bursitis in poultry production systems.

Silva, Vanessa (ORCID:0000000194068433)↗

Detector Instrumentation, Energy Reconstruction and Data Analysis in the DUNE and NOvA Neutrino Experiments

Neutrino oscillations are so far the only experimental observation beyond the standard model since its development four decades ago. The remaining fundamental questions that can be answered by long-baseline neutrino oscillations are (1) the CP violation (whether neutrinos and antineutrinos behave the same way in oscillation), and (2) the mass hierarchy ($m_3>m_{1,2}$ or $m_{1,2}>m_3$), and (3) the octant of $\theta_{23}$ ($\theta_{23}>45^\circ, =45^\circ$ or $<45^\circ$). The PI's group at UCI focuses on long-baseline neutrino experiments DUNE and NOvA, key components of DOE's Intensity Frontier program. NOvA is the current major U.S.-based long-baseline neutrino experiment aiming to solve the mass hierarchy and $\theta_{23}$ octant. It is taking $\nu$ and $\bar{\nu}$ data from the NuMI beam at Fermilab. DUNE is the next-generation flagship neutrino experiment in the U.S. which is designed to decisively determine neutrino CP violation, mass hierarchy and $\theta_{23}$ octant. DUNE is Fermilab's first priority, and has been established as an international collaboration. During the period covered by the report, the PI's group has been exceptionally productive, with leading contributions to DUNE argon-purity monitoring detectors, NOvA/DUNE deep-learning reconstruction, and NOvA oscillation and near detector (ND) analyses. The group also is actively involved in DUNE/NOvA detector operation, data production, calibration, software upgrade and maintenance, and ProtoDUNE cold electronic QA/QC. Specifically, we have made accomplishments in the following four research projects: 1) Purity monitor R\&D and data analysis for DUNE, 2) Deep-learning-based energy reconstruction at NOvA and DUNE, 3) Oscillation analysis at NOvA, and 4) $\nu$-e elastic scattering analysis at NOvA.

47 OTHER INSTRUMENTATION↗

Seismic Monitoring at the Farnsworth CO2-EOR Field Using Time-Lapse Elastic-Waveform Inversion of 3D-3C VSP Data

During the Development Phase of the U.S. Southwest Regional Partnership on Carbon Sequestration, supercritical CO2 was continuously injected into the deep oil-bearing Morrow B formation of the Farnsworth Unit in Texas for Enhanced Oil Recovery (EOR). The project injected approximately 94 kilotons of CO2 to study geologic carbon storage during CO2-EOR. A three-dimensional (3D) surface seismic dataset was acquired in 2013 to characterize the subsurface structures of the Farnsworth site. Following this data acquisition, the baseline and three time-lapse three-dimensional three-component (3D-3C) vertical seismic profiling (VSP) data were acquired at a narrower surface area surrounding the CO2 injection and oil/gas production wells between 2014 and 2017 for monitoring CO2 injection and migration. With these VSP datasets, we inverted for subsurface velocity models to quantitatively monitor the CO2 plume within the Morrow B formation. We first built 1D initial P-wave (Vp) and S-wave (Vs) velocity models by upscaling the sonic logs. We improved the deep region of the Vp and Vs models by incorporating the deep part of a migration velocity model derived from the 3D surface seismic data. We improved the shallow region of 3D Vp and Vs models using 3D traveltime tomography of first arrivals of VSP downgoing waves. We further improved the 3D baseline velocity models using elastic-waveform inversion (EWI) of the 3D baseline VSP upgoing data. Our advanced EWI method employs alternative tomographic and conventional gradients and total-variation-based regularization to ensure the high-fidelity updates of the 3D baseline Vp and Vs models. We then sequentially applied our 3D EWI method to the three time-lapse datasets to invert for spatiotemporal changes of Vp and Vs in the reservoir. Our inversion results reveal the volumetric changes of the time-lapse Vp and Vs models and show the evolution of the CO2 plume from the CO2 injection well to the oil/gas production wells.

42 ENGINEERING↗

Unsupervised multimodal fusion of in-process sensor data for advanced manufacturing process monitoring

Effective monitoring of manufacturing processes is crucial for maintaining product quality and operational efficiency. Modern manufacturing environments often generate vast amounts of complementary multimodal data, including visual imagery from various perspectives and resolutions, hyperspectral data, and machine health monitoring information such as actuator positions, accelerometer readings, and temperature measurements. However, fusing and interpreting this complex, high-dimensional data presents significant challenges, particularly when labeled datasets are unavailable or impractical to obtain. This paper presents a novel approach to multimodal sensor data fusion in manufacturing processes, inspired by the Contrastive Language-Image Pre-training (CLIP) model. We leverage contrastive learning techniques to correlate different data modalities without the need for labeled data, overcoming limitations of traditional supervised machine learning methods in manufacturing contexts. Our proposed method demonstrates the ability to handle and learn encoders for five distinct modalities: visual imagery, audio signals, laser position (x and y coordinates), and laser power measurements. By compressing these high-dimensional datasets into low-dimensional representational spaces, our approach facilitates downstream tasks such as process control, anomaly detection, and quality assurance. The unsupervised nature of our method makes it broadly applicable across various manufacturing domains, where large volumes of unlabeled sensor data are common. We evaluate the effectiveness of our approach through a series of experiments, demonstrating its potential to enhance process monitoring capabilities in advanced manufacturing systems. This research contributes to the field of smart manufacturing by providing a flexible, scalable framework for multimodal data fusion that can adapt to diverse manufacturing environments and sensor configurations. The proposed method paves the way for more robust, data-driven decision-making in complex manufacturing processes.

Contrastive Learning↗

Minimizing Fraud in the Carbon Offset Market Using Blockchain Technologies

Fraud in the Environmental Benefit Credit (EBC) markets is pervasive. To make matters worse, the cost of creating EBCs is often higher than the market price. Consequently, a method to create, validate, and verify EBCs and their relevance is needed to mitigate fraud. The EBC market has focused on geologic (fossil fuel) CO 2 sequestration projects that are often over budget and behind schedule and has failed to capture the "lowest hanging fruit" EBCs - terrestrial sequestration via the agricultural industry. This project reviews a methodology to attain possibly the least costly EBCs by tracking the reduction of inputs required to grow crops. The use of bio- stimulant products, such as humate, allows a farmer to use less nitrogen without adversely affecting crop yield. Using less nitrogen qualifies for EBCs by reducing nitrous oxide emissions and nitrate runoff from a farmer's field. A blockchain that tracks the bio-stimulant material from source to application provides a link between a tangible (bio-stimulant commodity) and the associated intangible (EBCs) assets. Covert insertion of taggants in the bio-stimulant products creates a unique barcode that allows a product to be digitally tracked from beginning to end. This process (blockchain technology) is so robust, logical, and transparent that it will enhance the value of the associated EBCs by mitigating fraud. It provides a real time method for monetizing the benefits of the material. Substantial amounts of energy are required to produce, transport, and distribute agricultural inputs including fertilizer and water. Intelligent optimization of the use of agricultural inputs can drive meaningful cost savings. Tagging and verification of product application provides a valuable understanding of the dynamics in the water/food energy nexus, a major food security and sustainability issue. As technology in agriculture evolves so to must methods to verify the Enterprise Resource Planning (ERP) potential of innovative solutions. The technology reviewed provides the ability to combine blockchain and taggants ("taggant blockchains") as the engine by which to (1) mitigate fraudulent carbon credits; (2) improve food chain security, and (3) monitor and manage sustainability. The verification of product quality and application is a requirement to validate benefits. Recent upgrades to humic and fulvic quality protocols known as ISO CD 19822 TC134 offers an analytical procedure. This work has been assisted by the Humic Products Trade Association and International Humic Substance Society. In addition, providing proof of application of these products and verification of the correct application of prescriptive humic and bio-stimulant products is required. Individual sources of humate have unique and verifiable characteristics. Additionally, methods for prescription of site- specific agricultural inputs in agricultural fields are available. (See US Patents 734867B2, US 90658633B2.) Finally, a method to assure application rate is required through the use of taggants. Sensors using organic solid to liquid phase change nanoparticles of various types and melting temperatures added to the naturally occurring materials provide a barcode. Over 100 types of nanoparticles exist ensuring numerous possible barcodes to reduce industry fraud. Taggant materials can be collected from soil samples of plant material to validate a blockchain of humic, fulvic and other soil amendment products. Other non-organic materials are also available as taggants; however, the organic tags are biodegradable and safe in the environment allowing for use during differing application timeliness.

54 ENVIRONMENTAL SCIENCES↗

Application of an Embedded Fracture and Borehole Modeling Approach to the Understanding of EGS Collab Experiment 1

EGS Collab is a series of meso-scale experiments and associated numerical simulation activities being funded by the United States Department of Energy, Geothermal Technologies Office (GTO) to investigate enhanced geothermal system processes under in-situ stress and slightly elevated temperature conditions. This project is designed to provide scientists and engineers with immediate access to impermeable rock at scales larger than possible in the laboratory, but generally smaller than those for commercial production. Immediate access to rock is provided via the existing drifts of the former Homestake Gold Mine, now operated as the Sanford Underground Research Facility in Lead, South Dakota. The objectives of the EGS Collab project are to develop well controlled fracture networks between injector and producer boreholes using normal and shear stimulation for permeability enhancement. The first experimental site was located off the West Access drift on the 4850 Level (4850 feet below ground surface) in phyllite of the Precambrian Poorman formation, and involved the creation of a fracture network comprising a combination of hydraulic and natural fractures. A second experimental site is now being considered near the battery alcove on the 4100 Level in amphibolite and rhyolite of the Yates Unit. Data generated during these experiments will be compared against predictions of a suite of computer codes specifically designed to solve problems involving coupled thermal, hydrological, geomechanical, and geochemical processes. Comparisons between experimental and numerical simulation results will provide code developers with direction for improvements and verification of process models, build confidence in the suite of available numerical tools, and ultimately identify critical future development needs for the geothermal modeling community. Moreover, conducting thorough comparisons of models, modelling approaches, measurement approaches and measured data, via the EGS Collab project, will serve to identify techniques that are most likely to succeed at the Frontier Observatory for Research in Geothermal Energy (FORGE), the GTO’s flagship EGS research effort. Experiment 1 has comprised a series of successful tests, including a long-term chilled-water circulation test, but the testbed has two atypical EGS elements. Active ventilation in the adjacent drift over a 50-year period cooled the testbed rock mass and hydraulic fracturing intersected monitoring boreholes making them conduits for fluid flow. Numerical simulations executed in support of the design of the EGS Collab Experiment 1, computed a radial temperature distribution and stress gradient orthogonal to the drift axis, resulting in the forecast of an oblong hydraulic fracture geometry, extended in the direction of the drift from the stimulation borehole. This paper describes the numerical simulation of long-term chilled-water circulation test with an embedded fracture and borehole modeling approach. The principal objective of the simulation work is show agreement between experimental observations in terms of production fluid temperatures, monitoring borehole temperatures, injection and production pressures, and tracer recoveries using a single conceptual model for the fracture network, using characterization and monitoring data generally available for EGS. A secondary objective is to improve the numerical simulation result comparisons with additional data available from the broader monitoring equipment within the testbed versus deeper, hotter, and more remote EGS. One complicating factor for comparisons between the numerical simulation results and experimental observations, is the Joule-Thomson heating associated with large pressure drops across the fracture network.

numerical simulation, embedded fractures and boreh↗

Computational Optimization of 133m Xe Production via Neutron Irradiation in a TRIGA Reactor

Here, the Comprehensive Nuclear-Test-Ban Treaty bans all nuclear tests worldwide. As part of treaty compliance, the concentration of radioactive nuclides in the atmosphere is monitored to detect nuclear weapons tests. Radioactive noble gas fission products, specifically radioxenon, can vent into the atmosphere after a nuclear weapons test, even if the test is well contained underground or underwater. Radioxenon thus serves as a signal for nuclear weapons tests. All atmospheric monitoring systems require samples of radioxenon isotopes for detector calibration, quality control, and certification. Here, we present a novel, improved method for creating samples of 133m Xe via neutron irradiation of 132 Xe in the Washington State University TRIGA reactor. 132 Xe neutron absorption results in either 133 Xe or 133m Xe—thermal neutron absorption results in 133m Xe 12% of the time, while fast neutron absorption (above ~1 MeV) results in 133m Xe ~50% of the time. To optimize the production of 133m Xe via neutron absorption in 132 Xe in the thermal TRIGA reactor, spectral tuning using an irradiation chamber is required to maximize the fraction of fast neutrons being absorbed and minimize the number of thermal neutrons interacting with the 132 Xe. We used MCNP to tally 132 Xe absorptions with the isotopic tally function, flux tallies and neutron attenuation to estimate the number of neutrons reaching the 132 Xe through the irradiation chamber, and the adjoint importance function to improve the source strength estimate. Additionally, we performed a heat transfer analysis for safety considerations. It was determined that the use of a 96% enriched 10 B boron carbide chamber, placed next to the fuel elements in reactor position D8, increases the 133m Xe/ 133 Xe activity ratio from a baseline value of 0.3 to 1.0, a 233% increase. Additionally, it was determined that the alpha heating produced in the boron does not become an unmanageable problem in the Washington State University reactor.

37 - INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL C↗