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Data-Driven Method for Groundwater-Level Mapping and Monitoring-Well Network Optimization at Hanford

This report summarizes the initial results and outcomes of a physics-informed, data-driven groundwater level (GWL) mapping capability for the Hanford Site. GWL mapping at Hanford is typically conducted annually and requires a significant amount of computational and expert resources, and it does not allow assessment of the informational value of specific monitoring wells. The proposed method produces spatially and temporally resolved fields consistent with sparse, irregularly sampled, and nonuniformly distributed well measurements. Implemented successfully, this capability will allow rapid mapping of groundwater levels and provide an opportunity to optimize monitoring activities (both location and sampling frequency) based on data information value evaluation. The approach integrates a diffusion-based generative model – trained on MODFLOW simulation data from the Plateau-to-River (P2R) model – with score-based data assimilation (SDA), allowing observation-conditioned mapping without retraining for each monitoring-network layout.

54 ENVIRONMENTAL SCIENCES↗

The Microbial Community and Functional Potential in the Midland Basin Reveal a Community Dominated by Both Thiosulfate and Sulfate-Reducing Microorganisms

The Permian Basin is the highest producing oil and gas reservoir in the United States. Hydrocarbon resources in this region are often accessed by unconventional extraction methods, including horizontal drilling and hydraulic fracturing. Despite the importance of the Permian Basin, there is no publicly available microbiological data from this region. We completed an analysis of Permian produced water samples to understand the dynamics present in hydraulically fractured wells in this region. We analyzed produced water samples taken from 10 wells in the Permian region of the Midland Basin using geochemical measurements, 16S rRNA gene sequencing, and metagenomic sequencing. Compared to other regions, we found that Permian Basin produced water was characterized by higher sulfate and lower total dissolved solids (TDS) concentrations, with a median of 1,110 mg/L and 107,000 mg/L. Additionally, geochemical measurements revealed the presence of frac hits, or interwell communication events where an established well is affected by the pumping of fracturing fluid into a new well. The occurrence of frac hits was supported by correlations between the microbiome and the geochemical parameters. Our 16S rRNA gene sequencing identified a produced water microbiome characterized by anaerobic, halophilic, and sulfur reducing taxa. Interestingly, sulfate and thiosulfate reducing taxa including Halanaerobium, Orenia, Marinobacter, and Desulfohalobium were the most prevalent microbiota in most wells. We further investigated the metabolic potential of microorganisms in the Permian Basin with metagenomic sequencing. We recovered 15 metagenome assembled genomes (MAGs) from seven different samples representing 6 unique well sites. These MAGs corroborated the high presence of sulfate and thiosulfate reducing genes across all wells, especially from key taxa including Halanaerobium and Orenia. The observed microbiome composition and metabolic capabilities in conjunction with the high sulfate concentrations demonstrate a high potential for hydrogen sulfide production in the Permian Basin. Additionally, evidence of frac hits suggests the possibility for the exchange of microbial cells and/or genetic information between wells. This exchange would increase the likelihood of hydrogen sulfide production and has implications for the oil and gas industry.

16S RNA↗

Core Analysis E-Reports Produced for the Southwest Regional Partnership on Carbon Sequestration for Wells 13-10A, 13-14, and 32-8 of the Farnsworth Unit, Texas

The submission is three electronic reports (e-reports) produced by Terra Tek, a former Schlumberger company, for and under the oversight of the Southwest Regional Partnership on Carbon Sequestration (SWP). The SWP designed and implemented a coring and core analysis program in conjunction with the previous field operator Chaparral Energy, L.L.C. The main SWP contacts who oversaw the coring and core analysis program, including geologic core descriptions and sample selection for testing by the Terra Tek, are listed below in the Authors section. The three reports are for Wells 13-10A, 13-14, and 32-8 of the Farnsworth Unit, TX, a site of the SWP's CO2 storage and enhanced oil recovery project. The e-reports include many data types that are not listed in full detail here, but may include: geomechanical, geochemical, and petrophysical measurements; white light and UV core photos; spectral gamma logs on the core; and Heterogeneous Rock Analysis logs. Fracture core review reports are included for Wells 13-14 and 32-8. The three e-reports each have many subfolders with the various types of data in spreadsheets, pdfs, image files, or other formats. The main e-reports for each well are listed by the well name. The sub-folder “E-Report” for each well has a Report.html file, which, when opened, will have hyperlinks to the various data sets and information. The files in the zipped folder will need to be extracted for the Report.html files to work properly. These authors thank Joseph Hall, a geologist formerly of Chaparral Energy, L.L.C., for assistance in designing the coring program, his geologic expertise of the Farnsworth Unit, and his assistance with characterizing the core. Christopher Gillespie, of Terra Tek at the time, managed the myriad geomechanical, geochemical, and petrophysical measurements provided by Terra Tek for this project. The core from which the samples were collected for this project are housed at the Subsurface Data and Core Libraries of the New Mexico Bureau of Geology and Mineral Resources, Socorro, New Mexico, USA. Funding for this project is provided by the U.S. Department of Energy's (DOE) National Energy Technology Laboratory (NETL) through the Southwest Regional Partnership on Carbon Sequestration (SWP) under Award No. DE-FC26-05NT42591. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525. These e-reports describe objective technical results and analysis. Any subjective views or opinions that might be expressed in the reports do not necessarily represent the views of the US Department of Energy or the United States Government.

Caprock↗

Active and passive defects in tetragonal tungsten bronze relaxor ferroelectrics

Tetragonal tungsten bronze (TTB) based oxides constitute a large family of dielectric materials which are known to exhibit complex distortions producing incommensurately modulated superstructures as well as significant local deviations from their average symmetry. The local deviations produce diffuse scattering in diffraction experiments. The structure as well as the charge dynamics of these materials are anticipated to be sensitive to defects, such as cation or oxygen vacancies. In this work, in an effort to understand how the structural and charge dynamical properties respond to these two types of vacancy defects, we have performed measurements of dielectric susceptibilities and single crystal diffraction experiments of two types of TTB materials with both ‘filled’ (Ba 2 NdFeNb 4 O 15 and Ba 2 PrFeNb 4 O 15 ) and ‘unfilled’ (Sr 0.5 Ba 0.5 Nb 2 O 6 ) cation sublattices. We also perform these measurements before and after oxygen annealing, which alters the oxygen vacancy concentrations. Surprisingly, we find that many of the diffuse scattering features that are present in the unfilled structure are also present in the filled structure, suggesting that the random fields and disorder that are characteristic of the unfilled structure are not responsible for many of the local structural features that are reflected in the diffuse scattering. Furthermore, oxygen annealing clearly affected both color and dielectric properties, consistent with a diminishment of the oxygen vacancy concentration, but had little effect on observed diffuse patterns.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

SAGE II measurements of early Pinatubo aerosols

SAGE II satellite measurements of the Mt. Pinatubo eruption cloud in the stratosphere during June, July, and early August 1991 show that aerosols in the tropics reached as high as 29 km altitude with most of the cloud between 20 and 25 km. The most optically thick portions of the cloud covered latitudes from 10 deg S to 30 deg N during the early part of this period. By late July, high stratospheric optical depths were observed to at least 70 deg N, with the high values north of about 30 deg N from layers below 20 km. High pressure systems in both hemispheres were observed to be correlated with the movement of volcanic material at 21 km into the westerly jet stream at high southern latitudes and similarly to high northern latitudes at 16 km. By August, the entire Southern Hemisphere had experienced a 10-fold increase in optical depth relative to early July due to layers above 20 km. Initial mass calculations using SAGE II data place the aerosol produced from this eruption at 20 to 30 megatons, well above the 12 megatons produced by El Chichon.

Mccormick, M. P.↗

Sister Rod Destructive Examinations (FY23) Appendix F: Cyclic Integrated Reversible-Bending Fatigue Tests

Spent nuclear fuel (SNF) assemblies must be shipped to other sites for processing and disposal. During shipment, the fuel is typically oriented horizontally, and the fuel rods are subject to periodic alternating loads related to the movement of the vehicle that results in alternating bending of the SNF fuel rods. The number of bending cycles is related to the length of the shipping route, with longer routes producing more cycles. Because it is well-known that cyclic loads can produce failures, even when the stress and strain imposed are below the material’s yield point, investigation of the SNF’s fatigue behavior is prudent. This report discusses the results of fatigue testing conducted at Oak Ridge National Laboratory (ORNL) using the Cyclic Integrated Reversible-Bending Fatigue Tester (CIRFT) created by the US Department of Energy Office of Nuclear Energy for the High Burnup Spent Fuel Data Project and its sister rods. The results of the tests are compared with results obtained over the last decade using the same CIRFT for the US Nuclear Regulatory Commission (NRC).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Grazing-Activated Production of Dimethyl Sulfide (DMS) by two clones of Emiliania huxleyi

Emiliania huxleyi clones CCMP 370 and CCMP 373 produced similar amounts of dimethylsulfoniopropionate (DMSP) during axenic exponential growth, averaging 109 mM internal DMSP. Both clones had detectable DMSP lyase activity, as measured by production of dimethyl sulfide (DMS) during in vitro assays of crude cell preparations, but activities and conditions differed considerably between clones. Clone 373 had high activity; clone 370 had low activity and required chloride. For both strains, enzyme activity per cell was constant during exponential growth, but little DMS was produced by healthy cells. Rather, DMS production was activated when cells were subjected to physical or chemical stresses that caused cell lysis. We propose that DMSP lyase and DMSP are segregated within these cells and re-action only under conditions that result in cell stress or damage. Such activation occurs during microzooplankton grazing. When these clones were grazed by the dinoflagellate Oxyrrhis marina, DMS was produced; ungrazed cells, as well as those exposed to grazer exudates and associated bacteria, generated no DMS. Grazing of clone 373 produced much more DMS than grazing of clone 370, consistent with their relative in vitro DMSP lyase activities. DMS was only generated when cells were actually being grazed, indicating that ingested cells were responsible for the DMS formation. We suggest that even low levels of grazing can greatly accelerate DMS production.

Wolfe, Gordon V.↗

Strong temporal variability in methane fluxes from natural gas well pad soils

We measured methane and carbon dioxide fluxes at natural gas well pad soils and undisturbed soils in the Rocky Mountain and Gulf Coast regions of the United States, including producing and gas storage wells. We collected both short-term (15 min) and multi-day (between 3 and 8), continuous measurements at 47 well pads and two undisturbed locations. Methane fluxes varied by more than an order of magnitude over periods as short as 30 min (e.g., 19–593 mg m -2 h -1 in one instance), and diurnal and seasonal variability was also significant (e.g., spring-to-fall change from 509 to 14174 mg m -2 h -1 ). We hypothesize that short-term flux variability was caused by pulsed flow of methane during its migration through the subsurface. Barometric pressure and well conditions likely impacted fluxes, but we found only weak evidence for this. Bacterial methanotrophy appeared to impact methane flux magnitude and variability. We injected methane into the subsurface at one well, and we found that, while fluxes of methane and carbon dioxide, and combustible soil gas concentrations, increased in response to the injection, the response was not uniform, and fluxes exhibited high hourly-scale variability, in spite of a constant injection rate. Methane fluxes tended to be higher at well pad soils compared to background soils (often much higher), and fluxes tended to be higher at well pad locations closer to the well head.

03 NATURAL GAS↗

Analysis of Photospheric Convection Cells with SDO/HMI

Supergranulation is a component of solar convection that assists in the outward transportation of internal energy. Supergranule cells are approximately 35 Mm across, have lifetimes on the order of a day and have divergent horizontal velocities of around 300 m/s, a factor of 10 higher than their central radial components. While they have been observed using Doppler methods for around half a century, their existence is also observed in other datasets such as magnetograms and Ca II K images. These datasets clearly show the influence of supergranulation on solar magnetism and how the local field is organized by the flows of supergranule cells. The Heliospheric and Magnetic Imager (HMI) aboard SDO is making fresh observations of convection phenomena at a higher cadence and a higher resolution that should make granular features visible. Granulation and supergranulation characteristics can now be compared within the same datasets, which may lead to further understanding of any mutual influences. The temporal and spatial enhancements of HMI will also reduce the noise level within studies of convection so that more detailed studies of their characteristics may be made. We present analyses of SDO/HMI Dopplergrams that provide new estimates of convection cell sizes, lifetimes, and velocity flows, as well as the rotation rates of the convection patterns across the solar disk. We make comparisons with previous data produced by MDI, as well as from data simulations.

Williams, Peter E.↗

Experimental verification of modified synthetic discriminant function filters for rotation invariance

Experimental results are presented which demonstrate that effective binary synthetic discriminant functions (SDFs) can be constructed if the binary nature of the filter modulation is included in SDF synthesis. It is also shown that the iterative procedure needed to produce the SDF is well performed on the optical correlator, as opposed to off-line computation. Binary SDF filters have been demonstrated which produce approximately equal correlation peaks over in-plane rotation ranges up to 75 deg and out-of-plane rotation ranges up to 60 deg. This technique, combined with the translational position invariance of optical filters, allows a single filter to track a Shuttle Orbiter as it moves along a curved path across the input field.

Reid, Max B.↗

Derivation of Aerosol Profiles for MC3E Convection Studies and Use in Simulations of the 20 May Squall Line Case

Advancing understanding of deep convection microphysics via mesoscale modeling studies of well-observed case studies requires observation-based aerosol inputs. Here, we derive hygroscopic aerosol size distribution input profiles from ground-based and airborne measurements for six convection case studies observed during the Midlatitude Continental Convective Cloud Experiment (MC3E) over Oklahoma. We demonstrate use of an input profile in simulations of the only well-observed case study that produced extensive stratiform outflow on 20 May 2011. At well-sampled elevations between −11 and −23 C over widespread stratiform rain, ice crystal number concentrations are consistently dominated by a single mode near approx. 400 microm in randomly oriented maximum dimension (Dmax). The ice mass at −23 C is primarily in a closely collocated mode, whereas a mass mode near Dmax approx. 1000 microns becomes dominant with decreasing elevation to the −11 C level, consistent with possible aggregation during sedimentation. However, simulations with and without observation-based aerosol inputs systematically overpredict mass peak Dmax by a factor of 3-5 and underpredict ice number concentration by a factor of 4-10. Previously reported simulations with both two-moment and size-resolved microphysics have shown biases of a similar nature. The observed ice properties are notably similar to those reported from recent tropical measurements. Based on several lines of evidence, we speculate that updraft microphysical pathways determining outflow properties in the 20 May case are similar to a tropical regime, likely associated with warm-temperature ice multiplication that is not well understood or well represented in models.

Fridlind, Ann M.↗

Derivation of Aerosol Profiles for MC3E Convection Studies and Use in Simulations of the 20 May Squall Line Case

Advancing understanding of deep convection microphysics via mesoscale modeling studies of well-observed case studies requires observation-based aerosol inputs. Here, we derive hygroscopic aerosol size distribution input profiles from ground-based and airborne measurements for six convection case studies observed during the Midlatitude Continental Convective Cloud Experiment (MC3E) over Oklahoma. We demonstrate use of an input profile in simulations of the only well-observed case study that produced extensive stratiform outflow on 20 May 2011. At well-sampled elevations between -11 and -23 degree C over widespread stratiform rain, ice crystal number concentrations are consistently dominated by a single mode near 400 micrometer in randomly oriented maximum dimension (D[superscript max] ). The ice mass at -23 degree C is primarily in a closely collocated mode, whereas a mass mode near D[superscript max] -1000 micrometer becomes dominant with decreasing elevation to the -11 degree C level, consistent with possible aggregation during sedimentation. However, simulations with and without observation-based aerosol inputs systematically overpredict mass peak D[superscript max] by a factor of 3-5 and underpredict ice number concentration by a factor of 4-10. Previously reported simulations with both two-moment and size-resolved microphysics have shown biases of a similar nature. The observed ice properties are notably similar to those reported from recent tropical measurements. Based on several lines of evidence, we speculate that updraft microphysical pathways determining outflow properties in the 20 May case are similar to a tropical regime, likely associated with warm-temperature ice multiplication that is not well understood or well represented in models.

Fridlind, Ann M.↗

Resource Characterization to Estimate Potential for Electricity Co-Production at Blackburn Oil Field, Nevada

The U.S. Department of Energy estimates that an annual average of 25 billion barrels of hot water are produced from oil and gas wells within the United States. The thermal energy available in the co-produced water stream is usually discarded, as the produced waters are considered an inconvenience by the operators and are disposed of using injection wells. However, utilizing organic Rankine cycle (ORC) generators, a vast amount of thermal energy can be captured and converted into electricity (albeit at relatively low efficiency due to the low temperatures). The National Renewable Energy Laboratory (NREL), in collaboration with Transitional Energy and Grant Canyon Oil & Gas, evaluated the feasibility of geothermal co-production of electricity by utilizing existing oil wells in Blackburn oil field in Nevada. The once prolific Blackburn oil field is located in Pine Valley, approximately 45 miles east-southeast of Elko, Nevada. Currently, the wells targeting the highly fractured Devonian Nevada dolomite reservoir are operating at a water cut ratio of more than 99%, with individual fluid (oil and water) production rates reaching 7.4 L/s (4,021 BBL/day). Analysis of publicly available data showed that the combination of the suitable wells' maximum historical production rates reached 22.90 L/s. The production from these wells occurs naturally and the wells are choked (and even shut down) by the operator to mitigate excessive water production, indicating a strong reservoir recharge and future opportunity to increase the water production for geothermal electricity generation. The main goal of this study was to evaluate the productivity of the existing wells, the performance of the reservoir, the surface network, and the operational constraints in order to achieve 1 MWe of electricity production from the field's water production. Utilizing the GEOPHIRES tool, we have determined that a twofold to threefold increase in the total fluid production, compared to the historical production under artificial restraint (choke), is required to reach a 1-MWe net target output for a low-temperature ORC system with air-cooled condensers. Lower flow rates would be required when utilizing water-based condensers instead of air-cooled condensers. However, that would require a constant supply of cold water, which may be challenging given the arid environment of the project site.

Blackburn↗

Nitric acid and ammonia emissions from a mid-latitude prescribed wetlands fire

The first simultaneous measurements of gaseous nitric acid and ammonia in the smoke plume of a wetlands biomass burn were obtained. The measurements were made using tungsten oxide-coated diffusion denuder tubes from a helicopter during a prescribed burn on November 9, 1987, at the Merritt Island National Wildlife Refuge, located at the NASA John F. Kennedy Space Center, Florida. The mean NH3 and HNO3 mixing ratios measured in the smoke plume were 19 ppbv and 14 ppbv, respectively, both significantly higher than background mixing ratios. Nitric acid correlated well with carbon dioxide produced by the combustion. The mean CO2-normalized emission ratio for HNO3 was found to be 0.00012. Ammonia, however, dit not correlate well with CO2, suggesting a more complex relationship between combustion and production/release of NH3.

Lebel, P. J.↗

Techno-economic analysis of converting oil & gas produced water into valuable resources

Managing produced water from oil and gas wells constitutes a significant portion of the costs of operating a well. Here, in this work, we have designed two different centralized water treatment facilities capable of managing produced water from oil and gas wells in Texas and Louisiana, both of which convert the produced water into the following valuable resources: ten-pound brine and fresh water. The two main designs each use commercially available technology with varying levels of establishment in treating produced water. Both treatment processes remove oil and grease and suspended solids, reduce the divalent ion concentrations, and concentrate the brines to a near-saturation state. The baseline design uses chemical precipitation to remove the divalent ions to meet the reuse specifications, whereas the advanced design uses nanofiltration (NF) membranes to separate divalent ions and uses reverse osmosis (RO) membranes to partially concentrate the brine. Both models use mechanical vapor recompression to concentrate the brine up to NaCl saturation. The baseline process is shown to be cost-effective for low-hardness brines. In the case of high hardness, the chemical precipitation step is cost-prohibitive. We find that NF membranes are a promising alternative to chemical precipitation as a means of separating monovalent and divalent ions.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Ecophysiological Changes in Microbial Mats Incubated in a Greenhouse Collaboratory

Microbial mats are modern examples of the earliest microbial communities known. Among the best studied are microbial mats growing in hypersaline ponds managed for the production of salt by Exportadora de Sal, S.A. de C.V., Guerrero Negro, Baja California Sur, Mexico. In May, 2001, we collected mats from Ponds 4 and 5 in this system and returned them to Ames Research Center, where they have been maintained for a period of over nine months. We report here on both the ecophysiological changes occurring in the mats over that period of time as well as the facility in which they were incubated. Mats (approximately 1 sq. meter total area) were incubated in a greenhouse facility modified to provide the mats with natural levels of visible and ultraviolet radiation as well as constantly flowing, temperature-controlled water. Two replicated treatments were maintained, a 'high salinity' treatment (about 120 ppt) and a 'low salinity' treatment (about 90 ppt). Rates of net biological activity (e.g., photosynthesis, respiration, trace gas production) in the mats were relatively constant over the several months, and were similar to rates of activity measured in the field. However, over the course of the incubation, mats in both treatments changed in physical appearance. The most obvious change was that mats in the higher salinity treatments developed a higher proportion of carotenoid pigments (relative to chlorophyll), resulting in a noticeably orange color in the high salinity mats. This trend is also seen in the natural salinity gradient present at the field site. Changes in the community composition of the mats, as assayed by denaturing gradient gel electrophoresis (DGGE), as well as biomarker compounds produced in the mats were also monitored. The degree to which the mats kept in the greenhouse changed from the originally collected mats, as well as differences between high and low salinity mats will be discussed. Additional information is contained in the original extended abstract.

Bebout, Brad↗

Glass shell manufacturing in space

Residual gases always found in glass shells are CO2, O2 and N2. In those cases where high water vapor pressure is maintained in the furnace, water is also found in the shells. Other evidence for the existence of water in shells is the presence of water-induced surface weathering of the interior shell surface. Water and CO2 are the predominant volatiles generated by the pyrolysis of both inorganic and hydrolyzed metal-organic gels. The pyrolysates of unhydrolyzed metal-organic gels also contain, in addition to water and CO2, significant levels of organic volatiles, such as ethanol and some hydrocarbons; on complete oxidation, these produce CO2 and water as well. Water is most likely the initial blowing agent, it is produced copiously during the initial stages of heating. In the later stages, CO2 becomes the dominant gas as H2O is lost at increasing rates. Water in the shell arises mainly from gel dehydration, CO2 by sodium bicarbonate/carbonate decomposition and carbon oxidation, and O2 and N2 by permeation of the ambient furnace air through the molten shell wall.

Nolen, R. J.↗

Methods to Evaluate Subcolumn Profiles Based on Two-Point Diagnostics

In atmospheric models, stochastic generation of subgrid-scale profiles or “subcolumns” has been used for a variety of purposes. Such subcolumns can be generated from subgrid probability density functions (PDFs) at different vertical levels, when such PDFs are available. To do so, the generator needs to decide how strongly points should be correlated in the vertical, that is, how much the values should be overlapped. This is sometimes called “PDF overlap.” To assess vertical correlation in a simplified, observable setting, here the vertical correlation of vertical velocity in subcloud layers is examined. Doppler lidar is used to evaluate the vertical profiles of vertical velocity produced by a large-eddy simulation (LES) model and the Subgrid Importance Latin Hypercube Sampler (SILHS) subcolumn generator. In order to diagnose unrealistic features in subcolumn profiles, various statistical diagnostics are examined here, including the bivariate PDF of vertical velocity at two separated points (i.e., altitudes), the two-point velocity correlation, the integral correlation length, the PDF of two-point velocity differences, and the skewness and kurtosis of two-point velocity differences. The profiles produced by LES match lidar well, except that they are too smooth at small scales. The profiles produced by SILHS exhibit sharp jumps from updraft to downdraft that are not observed in the lidar data. To reduce the generation of these unrealistically sharp jumps, the SILHS sampling method is revised. The diagnostics confirm that the revised sampling method reduces the overprediction of sharp jumps.

54 ENVIRONMENTAL SCIENCES↗