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At least 163 records · Page 9

Coupling dynamic in situ X-ray micro-imaging and indentation: A novel approach to evaluate micromechanics applied to oil shale

Oil and gas shales are a system where understanding the mechanical properties at the microscale is of paramount importance, e.g. to better understand the behavior of proppant-shale contacts and their role in the evolution of propped fractures in unconventional reservoirs. Here we show for the first time an experiment coupling indentation testing with in situ X-ray imaging in a Green River shale sample. A full compliance curve has been measured with the sample in water, allowing to visualize the indentation of the sample in function of axial load, in a purpose-built system for combined in situ indentation and X-ray imaging. A series of 3D datasets were used for a digital volume correlation study to obtain local strain fields. This analysis has been complemented with the analysis of cracks. Finally, geomechanical modeling has been carried out to replicate and generalize the observed behavior in the shale. This study validated this experimental approach, providing a breakthrough in understanding micro-mechanics in shales, and demonstrates how this class of experiments can be important for studies involving the prediction of the evolution of propped fractures in shale reservoirs, with possible applications in a much larger number of application fields (geothermal, materials science, etc.)

04 OIL SHALES AND TAR SANDS↗

High-accuracy absolute magnetometry with application to the Fermilab Muon g-2 experiment

We present details of a high-accuracy absolute scalar magnetometer based on pulsed proton NMR. The B-field magnitude is determined from the precession frequency of proton spins in a cylindrical sample of water after accounting for field perturbations from probe materials, sample shape, and other corrections. Features of the design, testing procedures, and corrections necessary for qualification as an absolute scalar magnetometer are described. The device was tested at B = 1.45 T but can be modified for a range exceeding 1–3 T. The magnetometer was used to calibrate other NMR magnetometers and measure absolute magnetic field magnitudes to an accuracy of 19 parts per billion as part of a measurement of the muon magnetic moment anomaly at Fermilab.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

WHONDRS Surface Water and Sediment Non-Purgeable Organic Carbon and FTICR-MS across Glacial Features in Svalbard 2021 (v3)

This dataset supports a broader study examining land-atmosphere gas exchange associated with permafrost and glaciers in Svalbard. The dataset provides geochemistry and organic matter characterization data generated from surface water and sediment. Samples were collected from 8 spatially diverse sites across central Svalbard and also from a more comprehensive temporal and spatial study within one glacial catchment area throughout one summer melt season. Related data were collected and will be published separately in collaboration with Yde and Kleber.This data package was originally published in September 2022. It was updated in March 2023 (v2; new and modified files), and July 2025 (v3; modified files). See the change history section in the readme for details.For details on how to navigate data packages generated by this project, see https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA/About. This dataset is comprised of one main data folder containing (1) file-level metadata; (2) data dictionary; (3) field metadata; (4) dissolved organic carbon (DOC; measure as non-purgeable organic carbon; NPOC); (5) surface water sampling protocol; (6) sediment extraction protocol; (7) readme; (8) methods codes; (9) international generic sample number (IGSN) mapping file; and (10) folder of high resolution characterization of organic matter via 7 and 12 Tesla (7T and 12T) Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) generated through the Environmental Molecular Sciences Laboratory (EMSL; https://www.pnnl.gov/environmental-molecular-sciences-laboratory). The FTICR folder contains two subfolders containing the 7T and 12T .xml data files and another subfolder containing instructions for using Formularity (https://omics.pnl.gov/software/formularity) and an R script to process the data based on the user's specific needs. All files are .csv, .pdf, .R, .ref, or .xml.

54 ENVIRONMENTAL SCIENCES↗

Water and Wastewater Annual Price Escalation Rates for Selected Cities Across the United States: 2023 Edition

This report builds on the 2016 Water and Wastewater Annual Price Escalation Rates for Selected Cities across the United States report prepared by Pacific Northwest National Laboratory (PNNL) for the U.S. Department of Energy’s (DOE) Federal Energy Management Program (FEMP). The 2017 report examined annual water and wastewater price escalation rate trends across the U.S. Annual water and wastewater price escalation rates are an important factor when conducting life-cycle cost analyses (LCCA) of water efficiency measures, which is required for Federal agencies. Following the framework of the 2017 report, PNNL used the American Water Works Association (AWWA) water and wastewater rate surveys to gather historical rate data for water and wastewater utilities in the US, which were used to calculate a sample set of water and wastewater annual price escalation rates (Figure E.1). An annual price escalation rate was calculated for 113 water utilities and 76 wastewater utilities that reported at least two AWWA surveys across the past 13 years (i.e., 2008 to 2021) and at least a five-year range between those two surveys. Statistical trends in the annual price escalation rates are also provided by the seven regions identified in Figure E.1. In the 2017 report, the average annual price escalation for the surveyed sample of water and wastewater rates were 3.0% and 3.2%, respectively. This report also calculated aggregate average annual price escalation rates for the surveyed sample of water and wastewater utilities to be 3.1% and 2.7%, respectively. These escalation rates were based on 87 water utilities and 46 wastewater utilities that reported data in at least two AWWA surveys with at least a five-year range between those two surveys and reported at least one AWWA survey in 2019 or 2021. Among water utilities, the highest average annual price escalation rate was 8.8%, and the highest average annual water de-escalation rate was -2.0%. And for wastewater utilities, the highest average annual wastewater price escalation rate was 10.2%, and the highest average annual wastewater de-escalation rate was -2.3%.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Relationship between isotope ratios in precipitation and stream water across watersheds of the National Ecological Observation Network

The timescales associated with precipitation moving through watersheds reveal processes that are critical to understanding many hydrologic systems. Measurements of environmental stable water isotope ratios (δ 2 H and δ 18 O) have been used as tracers to study hydrologic timescales by examining how long it takes for incoming precipitation tracers become stream discharge, yet limited measurements both spatially and temporally have bounded macroscale evaluations so far. Here in this observation driven study across North American biomes within the National Ecological Observation Network (NEON), we examined δ 18 O and δ 2 H stable water isotope in precipitation (δP) and stream water (δQ) at 26 co-located sites. With an average 54 precipitation samples and 139 stream water samples per site collected over 2014–2022, assessment of local meteoric water lines and local stream water lines showed geographic variation across North America. Taking the ratio of estimated seasonal amplitudes of δP and δQ to calculate young water fractions (F yw ), showed a Fyw range from 1% to 93% with most sites having F yw below 20%. Calculate d mean transit times (MTT) based on a gamma convolution model showed a MTT range from 0.10 to 13.2 years, with half of the sites having MTT estimates lower than 2 years. Significant correlations were found between the F yw and watershed area, longest flow length, and the longest flow length/slope. Significant correlations were found between MTT and site latitude, longitude, slope, clay fraction, temperature, precipitation magnitude, and precipitation frequency. The significant correlations between water timescale metrics and the environmental characteristics we report share some similarities with those reported in prior studies, demonstrating that these quantities are primarily driven by site or area specific factors. The analysis of isotope data presented here provides important constraints on isotope variation in North American biomes and the timescales of water movement through NEON study sites.

54 ENVIRONMENTAL SCIENCES↗

Product Consistency Test Results for the HLW HAlG Glasses

This report summarizes the chemical analysis of Product Consistency Test leachates received from Pacific Northwest National Laboratory (PNNL). The leachates are from a series of quenched simulated nuclear waste glasses designated High-Level Waste High Aluminum Glass that were designed and fabricated at PNNL. The reported data is provided to be used in the development, validation, and implementation of enhanced property/composition models for waste glass vitrification at Hanford. The elemental release for the study glasses is reported as normalized concentration NCi. NCi of several elements was computed for both the target and measured glass compositions. Several of the glasses exhibited NC B , NC Li , and/or NC Na values that were greater than the Environmental Assessment (EA) benchmark values. Several of the leachates from approved reference material (ARM) glasses included with the study glasses had elemental concentrations greater than the expected ranges. Two water blanks contained measurable amounts of Si; measurements confirmed by rerun samples. One water blank also contained a measurable amount of Na.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Spatial and temporal metagenomics of river compartments reveals viral community dynamics in an urban impacted stream

Although river ecosystems constitute a small fraction of Earth’s total area, they are critical modulators of microbially and virally orchestrated global biogeochemical cycles. However, most studies either use data that is not spatially resolved or is collected at timepoints that do not reflect the short life cycles of microorganisms. To address this gap, we assessed how viral and microbial communities change over a 48-hour period by sampling surface water and pore water compartments of the wastewater-impacted River Erpe in Germany. We sampled every 3 hours resulting in 32 samples for which we obtained metagenomes along with geochemical and metabolite measurements. From our metagenomes, we identified 6,500 viral and 1,033 microbial metagenome assembled genomes (MAGs) and found distinct community membership and abundance associated with each river compartment (e.g., Competibacteraceae in surfacewater and Sulfurimonadaceae in pore water). We show that 17% of our viral MAGs clustered to viruses from other ecosystems like wastewater treatment plants and rivers. Our results also indicated that 70% of the viral community was persistent in surface waters, whereas only 13% were persistent in the pore waters taken from the hyporheic zone. Finally, we predicted linkages between 73 viral genomes and 38 microbial genomes. These putatively linked hosts included members of the Competibacteraceae, which we suggest are potential contributors to river carbon and nitrogen cycling via denitrification and nitrogen fixation. Together, these findings demonstrate that members of the surface water microbiome from this urban river are stable over multiple diurnal cycles. These temporal insights raise important considerations for ecosystem models attempting to constrain dynamics of river biogeochemical cycles.

54 ENVIRONMENTAL SCIENCES↗

Safety Compliance Verification of Fuel Cell Electric Vehicle Exhaust

NREL has been developing compliance verification tools for allowable hydrogen levels prescribed by the Global Technical Regulation Number 13 (GTR-13) for hydrogen fuel cell electric vehicles (FCEVs). As per GTR-13, FCEV exhaust is to remain below 4 vol% H2 over a 3-second moving average and shall not at any time exceed 8 vol% H2 and that this requirement is to be verified with an analyzer that has a response time of less than 300 ms. To be enforceable, a means to verify regulatory requirements must exist. In response to this need, NREL developed a prototype analyzer that meets the GTR metrological requirements for FCEV exhaust analysis. The analyzer was tested on a commercial fuel cell electric vehicle (FCEV) under simulated driving conditions using a chassis dynamometer at the Emissions Research and Measurement Section of Environment and Climate Change Canada and FCEV exhaust was successfully profiled. Although the prototype FCEV Exhaust Analyzer met the metrological requirements of GTR-13, the stability of the hydrogen sensor was adversely impacted by condensed water in the sample gas. FCEV exhaust is at an elevated temperature and nearly saturated with water vapor. Furthermore, condensed water is present in the form of droplets. Condensed water in the sample gas can collect on the hydrogen sensing element, which would not only block access of hydrogen to the sensor but can also permanently damage the sensor. In the past year, the design of the gas sampling system was modified to mitigate against the transport of liquid water to the sensing element. Laboratory testing confirmed the effectiveness of the modified sampling system water removal strategy while maintaining the measurement range and response time required by GTR-13. Testing of the upgraded analyzer design on an FCEV operating on a chassis dynamometer is scheduled for the summer of 2021.

DIRECT ENERGY CONVERSION,HYDROGEN↗

2019 Meander C and Meander Z floodplain groundwater chemistry from the East River Watershed, CO, USA

This dataset includes groundwater geochemistry data from floodplain piezometers collected as a part of the Watershed Function Scientific Focus Area (SFA) located in the Upper Colorado River Basin. The data were collected in order to investigate the role of hyporheic exchange and other river corridor processes on riverine export of solutes. Data includes samples from two intra-meander zones: Meander C, in the Pumphouse vicinity, and Meander Z, just upstream of the confluence with Brush Creek. Floodplain piezometers installed along two transects across Meander C (MCP and MCB wells) and Meander Z (MZA and MZB wells) were sampled on daily to weekly time scales during summer-fall 2019. Some river water grab samples are also included. Data includes in-field measurements (pH, electrical conductivity [EC], oxidation reduction potential [ORP], dissolved oxygen [DO], and groundwater level) along with laboratory measurements (dissolved inorganic carbon [DIC], dissolved organic carbon [DOC], metals and major cations, anions [chloride, sulfate, nitrate], and dissolved ammonium). Files are included in this dataset include: sample locations and depths in both a kmz file which can be opened in Google Earth and a csv file, aqueous geochemistry data in a csv files for Meander C and Meander Z, and analytical detection limits in a csv file. This dataset also includes a file-level metadata (flmd.csv) file that lists each file contained in the dataset with associated metadata and a data dictionary (dd.csv) file that contains column/row headers used throughout the files along with a definition, units, and data type.

54 ENVIRONMENTAL SCIENCES↗

Time-series dissolved oxygen, other bigeochemically-relevant analytes, and pressure gradients associated with the manuscript “Dissolved oxygen sensor in an automated hyporheic sampling system reveals biogeochemical dynamics”

This dataset contains time-series data from a vertical profile within the bed and banks of the Columbia river near Richland, WA. Water was sampled through 3 small tubes embedded in the sediment at 50,100, and 200 cm below the sediment-water interface. The goal of this study was to observe the correlations between hydraulic drivers and biogeochemical responses. The results of this study are published in the manuscript “Dissolved oxygen sensor in an automated hyporheic sampling system reveals biogeochemical dynamics”. The file types included in the data package are all time-series spreadsheet data, including hydraulic head gradients, physical parameters (temperature, pressure, SpC (specific conductivity)), and biogeochemical parameters (dissolved oxygen, pH, NO3 (nitrate) and ORP (oxidation-reduction potential)).

54 ENVIRONMENTAL SCIENCES↗

2018 Meander C floodplain groundwater chemistry from the East River Watershed, Colorado

This dataset includes groundwater geochemistry data from floodplain piezometers collected as a part of the Watershed Function Scientific Focus Area (SFA) located in the Upper Colorado River Basin. The data were collected in order to investigate the role of hyporheic exchange and other river corridor processes on riverine export of solutes. Floodplain piezometers installed along two transects across Meander C in the Pumphouse vicinity (MCP and MCB wells) were sampled on daily to weekly time scales during summer-fall 2018. Some river water grab samples are also included. Data includes in-field measurements (pH, electrical conductivity [EC], oxidation reduction potential [ORP], dissolved oxygen [DO], Fe(II), and groundwater level) along with laboratory measurements (dissolved inorganic carbon [DIC], dissolved organic carbon [DOC], metals and major cations, anions [chloride, sulfate, nitrate], and dissolved ammonium). Five files are included in this dataset, including: sample locations and depths in both a kmz file which can be opened in Google Earth and a csv file, sampling protocol as a pdf document, aqueous geochemistry data in a csv file, and analytical detection limits in a csv file.

54 ENVIRONMENTAL SCIENCES↗

2018 Meander Y and Meander Z floodplain groundwater chemistry from the East River watershed, Colorado

This dataset includes groundwater geochemistry data from floodplain piezometers collected as a part of the Watershed Function Scientific Focus Area (SFA) located in the Upper Colorado River Basin. The data were collected in order to investigate the role of hyporheic exchange and other river corridor processes on riverine export of solutes. Floodplain piezometers installed in Meander Z (MZA, MZB wells) and Meander Y (MYP wells) just upstream of the confluence with Brush Creek were sampled on daily to weekly time scales during summer-fall 2018. Some river water grab samples are also included. Data includes in-field measurements (pH, electrical conductivity [EC], oxidation reduction potential [ORP], and groundwater level) along with laboratory measurements (dissolved inorganic carbon [DIC], dissolved organic carbon [DOC], metals and major cations, anions [chloride, sulfate, nitrate], and dissolved ammonium). Five files are included in this dataset, including: sample locations and depths in both a kmz file which can be opened in Google Earth and a csv file, sampling protocol as a pdf document, aqueous geochemistry data in a csv file, and analytical detection limits in a csv file.

54 ENVIRONMENTAL SCIENCES↗

Phase equilibrium of liquid water and hexagonal ice from enhanced sampling molecular dynamics simulations

We study the phase equilibrium between liquid water and ice Ih modeled by the TIP4P/Ice interatomic potential using enhanced sampling molecular dynamics simulations. Our approach is based on the calculation of ice Ih-liquid free energy differences from simulations that visit reversibly both phases. The reversible interconversion is achieved by introducing a static bias potential as a function of an order parameter. The order parameter was tailored to crystallize the hexagonal diamond structure of oxygen in ice Ih. Furthermore, we analyze the effect of the system size on the ice Ih-liquid free energy differences, and we obtain a melting temperature of 270 K in the thermodynamic limit. This result is in agreement with estimates from thermodynamic integration (272 K) and coexistence simulations (270 K). Since the order parameter does not include information about the coordinates of the protons, the spontaneously formed solid configurations contain proton disorder as expected for ice Ih.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Direct measurement and calculation of rubber bulk modulus by piston-cylinder method using conventional mechanical testing equipment

This article describes a method to directly measure the bulk modulus of rubber using a piston-cylinder type apparatus. The function of the testing apparatus is to reliably transfer load to the water inside the vessel and allow for the accurate and continuous measurement of volumetric displacement as the contents are compressed. During the test, load is applied to a piston-cylinder containing the rubber test sample and water using a conventional mechanical testing load frame. Load and the travel of the piston are recorded by a load cell and extensometer, respectfully. A brass or stainless steel plug of the same dimensions as the test sample is tested as a control sample to isolate the compliance of the system, including the compressibility of water and compliance of the piston-cylinder. The results from this control test are used to disincorporate the compliance of the system from the sample test results. Load-linear displacement data are mathematically converted to pressure-volumetric displacement data, from which bulk modulus is calculated. The test apparatus and method are validated using the known bulk modulus of water. Finally, the bulk modulus for two similar rubbers is evaluated. The validity of the results and limitations of the device are discussed.

36 MATERIALS SCIENCE↗

Spatial Study 2021: Sensor-Based Time Series of Surface Water Temperature, Specific Conductance, Total Dissolved Solids, pH, and Dissolved Oxygen from across Multiple Watersheds in the Yakima River Basin, Washington, USA (v3)

This dataset supports a broader study examining the drivers of spatial variability in sediment respiration rates in the Yakima River Basin. The dataset provides two-hour time series hydrological and water chemistry sensor data, manual chamber open channel respiration data, handheld sensor water chemistry data, river substrate grain size photos, general environmental context photos, and field metadata (including qualitative information on instream and river corridor characteristics) collected during the same two-week period at 47 sites within multiple rivers throughout the Yakima River Basin in Washington, USA. Grain size photos can be used to improve estimates of channel substrate D50 data. Related sample-based water chemistry data are published separately at https://data.ess-dive.lbl.gov/datasets/doi:10.15485/1898914.This dataset is comprised of four main folders, one containing three sensor-specific subfolders and the others containing photographs. The SFA_SpatialStudy_2021_SensorData main data folder includes file-level metadata (FLMD), data dictionary (dd), installation methods, field metadata, Ultrameter water chemistry data, field data collection protocols, international generic sample number (IGSN) mapping file, and a readme file. The “Sensor_Manual_Specifications” subfolder contains pdf files from the manufacturer of each sensor with details on the sensor specifications. Each sensor subfolder (BarotrollAtm, MantaRiver, and MinidotManualChamber) contains a sensor data subfolder for timeseries data and a subfolder for plots and summary statistics. The BarotrollAtm Data subfolder contains In Situ Rugged BaroTROLL pressure and temperature data. The MantaRiver Data subfolder contains Eureka Manta+ 35B multisonde temperature, specific conductance, and pH data. The MinidotManualChamber Data subfolder contains PME MiniDOT Logger dissolved oxygen (mg/L and percent saturation) and temperature data. The folder SFA_SpatialStudy_2021_EnvironmentalContextPhotos contains environmental context photographs and videos. The folders SFA_SpatialStudy_2021_SedimentQuadratPhotos_Part1 and SFA_SpatialStudy_2021_SedimentQuadratPhotos_Part2 contain sediment quadrat photographs. All files are .csv, .pdf, .R, .jpg, .jpeg, .mp4, or .mov. This data package was originally published September 2022. It was updated January 2023 (modified files) and June 2024 (new and modified files). See the change history in data package readme for more details.We acknowledge the Yakama Nation as owners and caretakers of the lands where we collected these data. We thank the Confederated Tribes and Bands of the Yakama Nation Tribal Council and Yakama Nation Fisheries for working with us to facilitate sample collection and optimization of data usage according to their values and worldview.

54 ENVIRONMENTAL SCIENCES↗

Non-destructive, in-situ evaluation of water presence using thermal contrast and cooled detector

Exemplary methods for detecting presence of water in a sample include: heating a light source to a predetermined temperature at which the light source emits thermal radiation; placing a sample between the light source and a detector; transmitting the thermal radiation from the light source through the sample and onto the detector; and determining a presence or an absence of water within the sample based on the thermal radiation transmitted onto the detector. Exemplary systems for detecting presence of water in a sample are also disclosed.

Bora, Mihail↗