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At least 73 records · Page 4

Sensor Recommendations for Long Term Monitoring of the F-Area Seepage Basins

In mid-2018, a new paradigm for long-term monitoring was developed after of decade of applied research projects funded by the Department of Energy’s office of Environmental Management Technology Development program. The program at SRNL was focused on transitioning complex environmental waste sites from active to passive remediations strategies. A key result of these studies was that the use of enhanced attenuation approaches at radiologically contaminated sites will result in the creation of secondary source areas in the subsurface that will require monitoring for decades. Alternative monitoring approaches are being developed and tested at the Savannah River Site’s F-Area Hazardous Waste Management Facility, the new paradigm provides innovative solutions that will significantly lower costs of monitoring through the coupling of data collection, machine learning and deterministic groundwater modeling. The foundation of this approach is a well-optimized network of sensors for measuring hydrogeochemical master variables that control, and therefore act as indicators of groundwater contaminant transport. By monitoring changes in the controlling master variables over time arising from geological and environmental shifts, predictive modelling can assist with identifying new strategies for ensuring regulatory requirements are met if trends toward conditions for potential remobilization of attenuated contaminants are detected. In this report, we evaluated commercially available single parameter sensor platforms (e.g., temperature/depth) and configurable multi-parameter sensor platforms (e.g., pH, oxidation-reduction potential, temperature, depth, dissolved oxygen, and conductivity). Each was scored using an optimization function based on how well the system supports the proposed long-term monitoring paradigm, in general, and the site-specific conditions at F-Area, in particular. Several viable sensor systems were identified. Of these, a combined platform including the In-Situ Aqua TROLL 500 multi-parameter sensor platform and the In-Situ temperature/depth sensor had the highest rating and was identified as the most suitable candidate for installation and monitoring of the master variables and potentiometric surface that control groundwater contaminant plumes emanating from the F-Area Seepage Basins. The discussion of recommended potential deployment locations builds upon recommendations made by Denham et al (2019).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Ultrafast Oxygen Conduction in Sillén Oxychlorides

Oxygen ion conductors are crucial for enhancing the efficiency of various clean energy technologies, including fuel cells, solid oxide air batteries, electrolyzers, membranes, sensors, and more. In this study, a structure-similarity analysis of ≈62k oxygen-containing compounds identified the MBi 2 O 4 X (M = rare-earth element, X = halogen element) family as promising candidates for fast oxygen transport. Among these, LaBi 2 O 4 Cl is found as an ultrafast oxygen conductor with an ultralow migration barrier of 0.1 eV based on ab initio studies. Its 2D layered structure, featuring a “triple fluorite” layer, supports diffusion of both oxygen vacancies and interstitials. In addition to vacancy diffusion with a 0.1 eV barrier, ab initio studies show interstitial diffusion exhibits a modest barrier of 0.6–0.8 eV. Frenkel pairs are found to be the dominant defects in intrinsic LaBi 2 O 4 Cl, facilitating significant vacancy-mediated oxygen diffusion at elevated temperatures. With 2.8% oxygen vacancies, LaBi 2 O 4 Cl is predicted to achieve a conductivity of 0.3 S/cm at 25 °C in a single crystal. Experimental synthesis and characterization of polycrystalline LaBi 2 O 4 Cl and Sr-doped LaBi 2 O 4 Cl revealed conductivity exceeding that of YSZ and LSGM below 400 °C, with lower activation energies, achieving a total conductivity of 0.1−0.2 mS/cm at 300 °C. Here, while these results confirm its potential of fast oxygen transport, we suggest further experimental optimization of LaBi 2 O 4 Cl, including aliovalent doping and microstructure refinement, could significantly enhance its performance, facilitating fast oxygen conduction approaching room temperature.

Defects↗

Assessing the Effects of Temperature and Oxygen Vacancy on Band Gap Renormalization in LaCrO 3-δ : First-Principles and Experimental Corroboration [plus supplemental information]

Understanding the temperature dependence of functional properties in high-temperature gas sensors is vital for applications in combustion environments. Temperature effect on the electronic structure due to electron-phonon coupling is a key property of interest as this influences other responses of sensors. In this work, we assess the impact of temperature on band gap renormalization of pristine and oxygen-vacant LaCrO 3–δ perovskite employing Allen–Heine–Cardona theory with first-principles simulations and corroborate with experimental observation. Antiferromagnetic cubic LaCrO 3 shows a direct ground-state band gap of 2.62 eV that is reduced by over 1 eV due to the presence of oxygen vacancies, which can form endothermically. We find excellent agreement in temperature-dependent band gap shift in LaCrO 3 between theory and an in-house experiment, proving that the theory can adequately predict renormalization on the band gap in a magnetic system. Band gaps in cubic LaCrO 3–δ are found to monotonically narrow by 1.13 eV in pristine and by around 0.62 eV in oxygen-vacant structures as temperature increases from 0 to 1500 K. The predicted band gap variations are rationalized using an analytical model. Furthermore, the experimental zero-temperature band gaps are extracted from the model fits that can provide useful insights on the simulated band gaps.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Measurements of Density and Sound Speed in Mixtures Relevant to Supercritical CO2 Cycles

Abstract The objective of this research is to validate properties of mixtures relevant to supercritical carbon dioxide (sCO2) power cycles. Direct-fired sCO2 cycles are a promising technology for the future power generation systems. The working fluid of sCO2 cycles will be near and above critical point of CO2. One of the challenges is that the simulation of mixtures should consider real gas behavior. Expected operating conditions of Allam cycles reach up to 300 bar and 1000 °C. Characterizing the mixtures at the extreme conditions is an important issue in current researches and industrial applications. Thermophysical properties of mixtures may be beyond the valid range of the widely used database such as NIST REFPROP. Experimental data of mixture properties in the literature are limited which is necessary to develop high-fidelity design tools for sCO2 power cycles. We measured the density and sound speed of several multi-component mixtures. A temperature-controlled high-pressure test cell was used for the density measurements. Sound speed was measured by resonant frequency detection using an external speaker and a piezoelectric pressure sensor. Mixtures studied in this work include carbon dioxide, methane, oxygen, and water vapor. Properties of pure CO2 were measured to show the validity of our technique. Compositions were selected to be close to frozen mixtures at the inlet, mid-progress, and exhaust conditions of a model sCO2 combustor in the previous numerical simulation work. Corresponding reaction progress variables (RPV) were RPV = 0, 0.5, and 1. Temperature and pressure conditions of experiments are 310–450 K and 0–150 bar. In our study, density and sound speed from the NIST REFPROP database agree with experimental measurements within the range of our measurement uncertainties.

Energy & Fuels↗

WHONDRS River Corridor Sediment and Water Geochemistry and In Situ Sensor Data from Machine-Learning-Informed Sites across the Contiguous United States (v6)

This dataset supports a broader study examining hyporheic zone respiration rates to improve predictive models at a contiguous United States (CONUS) scale. The CONUS-Scale Model-Sample Study (CM) was designed following ICON (integrated, coordinated, open, and networked) principles to facilitate a model-experiment (ModEx) iteration approach, leveraging crowdsourced sampling across the CONUS. New machine learning models were created every month to guide sampling locations. Data from the resulting samples were used to test and rebuild the machine learning models for the next round of sampling guidance. Sampling began in April 2022 and ended in October 2023. In addition to the widely distributed CONUS sites, a more spatially focused sampling occurred in the Yakima River Basin, WA in summer 2022. Data from this more spatially intensive sampling occurred under the label “Second Spatial Study (SSS)” and were also included in the machine learning models. Other data types collected from SSS that were not part of CM were published in a separate data package (https://data.ess-dive.lbl.gov/view/doi:10.15485/1969566). This data package was originally published in February 2023. It was updated in June 2023 (v2; new and modified files); December 2023 (v3; new and modified files); June 2024 (v4; new and modified files); April 2024 (v5; new and modified files); and September 2025 (v6; modified files). See the change history section in the readme for more 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 two folders of field photos and videos, one folder of raw Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) data and one main data folder containing (1) file-level metadata; (2) data dictionary; (3) field metadata; (4) readme; (5) international generic sample number (IGSN) mapping file; (6) field protocols; (7) a subfolder with sample data; and (8) a subfolder with sensor data. The sample data subfolder contains (1) surface water and sediment dissolved organic carbon (DOC, measured as non-purgeable organic carbon, NPOC) data and averages; (2) surface water and sediment total nitrogen data and averages; (3) surface water major cations and anions and averages; (4) sediment grain size data; (5) sediment iron (II) data and averages; (6) wet sediment mass, dry sediment mass, water mass, and wet sediment volume in incubation and sediment ICR vials; (7) sediment incubation respiration rate data and averages; (8) normalized respiration rate data and averages; (9) methods codes; (10) sediment specific surface area; (11) sediment percent carbon and nitrogen; (12) sediment gravimetric moisture and averages; (15) sediment X-ray diffraction (XRD) data; (16) sediment adenosine triphosphate (ATP) and averages; (17) a subfolder with sediment incubation respiration data, scripts, and plots; (18) surface water and sediment FTICR methods; and (19) a subfolder of 9.4 Tesla (9.4T) FTICR-MS data. This folder contains five subfolders, one containing the sediment .xml data files, one containing the water .xml files, one containing the sediment CoreMS output files, one containing the water CoreMS output files, and the other containing instructions and scripts for processing the files in CoreMS (https://github.com/EMSL-Computing/CoreMS).The sensor data subfolder contains (1) a subfolder with miniDOT dissolved oxygen and temperature data and plots; (2) miniDOT dissolved oxygen and temperature summary data; and (3) miniDOT installation methods. All files are .csv, .pdf, .R, .xml, .d, .html, .Rmd, .py, .cal, .json, .jpg, .jpeg, .png, .mov, or .mp4. CORRECTION: Carbon and nitrogen content are reported as percentages. The current column headers "01395_C_percent_per_mg" and "01397_N_percent_per_mg" are incorrect. These should read "01395_C_percent" and "01397_N_percent" and will be corrected in the next version of this data package. We thank the United States Forest Service, Washington Department of Fish and Wildlife, Washington Department of Natural Resources, Cowiche Canyon Conservatory, Washington State Parks and Recreation Commission (Scientific Research Permit #210901), and the Confederated Tribes and Bands of the Yakama Nation for access to field locations where the samples labeled “SSS” were collected. We also thank 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. WHONDRS consortium members were asked to provide any acknowledgments for the collection of samples labeled “CM” and the following is a list of acknowledgments that were submitted with their corresponding Site IDs: (MART) Research activities were conducted in part on the Wind River Experimental Forest within the Gifford Pinchot National Forest; (MP- 100379) Philadelphia is part of Lenapehoking, the ancestral homelands of the Lenape peoples; (MP-102398) Land surveyed is the ancestral homelands of the Nookhose'iinenno (Arapaho), Tsis tsis'tas (Cheyenne), and Nuuchu (Ute); (MP-100749 and MP- 100747) Georgia Coastal Ecosystem LTER, OCE-1832178; (SP-70 and SP-72) Eastern Shoshone, Shoshone-Bannock; (MP- 102944) Funded by Oregon Watershed Enhancement Board. On the traditional lands of the Confederated Tribes of the Siletz, Confederated Tribes of the Grand Rhonde, and the Clatsop-Nehalem Confederated Tribe; (MP- 100607) Holiday Creek is located on the traditional territory of the Monacan Indian Nation; (SP-45) Lafayette Blue Springs State Park; (MP-102420) NSF DEB-2016749; (MP-100019) New Hampshire Agriculture Experiment Station; (SP-35) Rayonier (land owner; https://www.rayonier.com/); (MP- 101276) US Department of Energy, Office of Science, Biological and Environmental Research, Subsurface Biogeochemical Research, Watershed Dynamics and Evolution SFA at ORNL; (MP- 103224) Watershed Dynamics and Evolution SFA at ORNL; (MP- 101584) Traditional lands of the Oceti Sakowin (Dakota, Lakota, Nakoda) and Anishinaabe Peoples.

54 ENVIRONMENTAL SCIENCES↗

WHONDRS River Corridor Sediment and Water Geochemistry and In Situ Sensor Data from 7 Perennial and 7 Intermittent Streams across San Antonio, Texas (v3)

This dataset supports a broader study examining the effects of intermittency on sediment respiration. The dataset provides sediment and surface water geochemistry and in situ sensor data from 7 perennial and 7 intermittent streams in San Antonio, Texas. Each stream/site was visited both in summer during base flow (July-September 2023) and winter during peak flow (January-February 2024). Related data were collected and will be published separately in collaboration with A. Veach. The data package was originally published in April 2025. It was updated in June 2025 (v2; modified and new files) and September 2025 (v3; modified files). See the change history section in the readme for more 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 two folders of field photos and videos, one folder of raw Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) data and one main data folder containing (1) file-level metadata; (2) data dictionary; (3) field metadata; (4) readme; (5) international generic sample number (IGSN) mapping file; (6) field protocol; (7) a subfolder with sample data; and (8) a subfolder with sensor data. The sample data subfolder contains (1) surface water and sediment dissolved organic carbon (DOC, measured as non-purgeable organic carbon, NPOC) data and averages; (2) surface water and sediment total nitrogen data and averages; (3) sediment grain size data; (4) sediment iron (II) data and averages; (5) wet sediment mass, dry sediment mass, water mass, and wet sediment volume in incubation and sediment ICR vials; (7) sediment incubation respiration rate data and averages; (8) normalized respiration rate data and averages; (9) methods codes; (10) sediment percent carbon and nitrogen; (11) sediment X-ray diffraction (XRD) data; (12) gravimetric moisture and averages; (13) a subfolder with sediment incubation respiration data, scripts, and plots; (14) surface water and sediment FTICR methods; and (15) a subfolder of 9.4 Tesla (9.4T) FTICR-MS data. This folder contains five subfolders, one containing the sediment .xml data files, one containing the water .xml files, one containing the sediment CoreMS output files, one containing the water CoreMS output files, and the other containing instructions and scripts for processing the files in CoreMS (https://github.com/EMSL-Computing/CoreMS). The sensor data subfolder contains (1) a subfolder with miniDOT dissolved oxygen and temperature data and plots; (2) miniDOT dissolved oxygen and temperature summary data; and (3) miniDOT installation methods. All files are .csv, .pdf, .R, .xml, .d, .html, .Rmd, .py, .cal, .json, .jpg, .jpeg, .png, .mov, or .mp4. CORRECTION: The data processing methods for FTICR described in “v3_WHONDRS_AV1_Methods_Codes.csv” mistakenly indicate that users should process the data in Formultitude. The corrected description should read: “Both unprocessed and processed data are provided to allow users flexibility in data processing. Instructions and scripts for processing the data using CoreMS are included.” CORRECTION: Carbon and nitrogen content are reported as percentages. The current column headers "01395_C_percent_per_mg" and "01397_N_percent_per_mg" are incorrect. These should read "01395_C_percent" and "01397_N_percent" and will be corrected in the next version of this data package.

54 ENVIRONMENTAL SCIENCES↗

A Synoptic System for Capturing Ecosystem Control Points Across Terrestrial‐Aquatic Interfaces

Interconnected landscape features such as terrestrial‐aquatic interfaces play an outsized role in biogeochemical cycles as ecosystem control points, but it is notoriously challenging to characterize these. Here, we document a synoptic sensor network design that is (a) flexible to accommodate diverse ecosystem interfaces and gradients, (b) adaptable to monitoring and modeling needs of small and large projects alike, (c) standardized for intercomparability across sites and field experiments, and (d) adequately replicated to capture heterogeneity of each parameter monitored. This real‐time monitoring of surface water, groundwater, soil, and vegetation supports configuration and evaluation of models that span upland, wetland, open water strata, and transitions between them. We established the network at seven sites along the Chesapeake Bay and Lake Erie coastlines, including large‐scale flood manipulation experiments in both regions. A central design element is “one data logger program to rule them all”—a collection of sensor‐specific modules deployed on 40 loggers controlling ∼2,000 sensors, with the goal of streamlining maintenance, debugging, and reproducible data processing. The network generates ∼6 M observations per month, capturing system dynamics at the broad spatial and fine temporal scales needed to initialize and benchmark models; measurement frequency can be modified remotely to capture events. This network design has also revealed behaviors not represented in Earth system models, such as transient groundwater oxygen pulses. Completely documented and open source, this standardized, flexible, and efficient sensor network design can reduce barriers to understanding environmental changes and ecosystem responses across systems and scales.

Ward, Nicholas D. [Pacific Northwest National Labo↗

Revealing the Chemical State of Palladium in Operating In 2 O 3 Gas Sensors: Metallic Pd Enhances Sensing Response and Intermetallic In x Pd y Compound Blocks It

The sensing response of metal oxides activated with noble metal nanoparticles is significantly influenced by changes to the chemical state of corresponding elements under operating conditions. Here, a PdO/rh-In 2 O3 consisting of PdO nanoparticles loaded onto rhombohedral In 2 O 3 was studied as a gas sensor for H 2 gas (100–40000 ppm in an oxygen-free atmosphere) in the temperature range of 25–450 °C. The phase composition and chemical state of elements were examined by resistance measurements combined with synchrotron-based in situ X-ray diffraction and ex situ X-ray photoelectron spectroscopy. As found, PdO/rh-In 2 O 3 undergoes a series of structural and chemical transformations during operation: from PdO to Pd/PdH x and finally to the intermetallic In x Pd y phase. The maximal sensing response (R N2 /R H2 ) of ~5 · 10 7 towards 40000 ppm (4 vol %) H 2 at 70 °C is correlated with the formation of PdH 0.706 /Pd. The In x Pd y intermetallic compounds formed around 250 °C significantly decrease the sensing response.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A bacterial sensor taxonomy across earth ecosystems for machine learning applications

Microbial communities have evolved to colonize all ecosystems of the planet, from the deep sea to the human gut. Microbes survive by sensing, responding, and adapting to immediate environmental cues. This process is driven by signal transduction proteins such as histidine kinases, which use their sensing domains to bind or otherwise detect environmental cues and “transduce” signals to adjust internal processes. We hypothesized that an ecosystem’s unique stimuli leave a sensor “fingerprint,” able to identify and shed insight on ecosystem conditions. To test this, we collected 20,712 publicly available metagenomes from Host-associated, Environmental, and Engineered ecosystems across the globe. We extracted and clustered the collection’s nearly 18M unique sensory domains into 113,712 similar groupings with MMseqs2. We built gradient-boosted decision tree machine learning models and found we could classify the ecosystem type (accuracy: 87%) and predict the levels of different physical parameters (R2 score: 83%) using the sensor cluster abundance as features. Feature importance enables identification of the most predictive sensors to differentiate between ecosystems which can lead to mechanistic interpretations if the sensor domains are well annotated. To demonstrate this, a machine learning model was trained to predict patient’s disease state and used to identify domains related to oxygen sensing present in a healthy gut but missing in patients with abnormal conditions. Moreover, since 98.7% of identified sensor domains are uncharacterized, importance ranking can be used to prioritize sensors to determine what ecosystem function they may be sensing. Furthermore, these new predictive sensors can function as targets for novel sensor engineering with applications in biotechnology, ecosystem maintenance, and medicine.

97 MATHEMATICS AND COMPUTING↗

Wireless oxygen dosimeter

A tag for detecting an analyte can include a radio frequency identification tag including a sensor portion, the sensor portion configured to change resistivity when the radio frequency identification tag contacts or interacts with an analyte, whereby the resistivity change alters an output of the radio frequency identification tag, wherein the sensor portion includes a circuit, and wherein the sensor portion is configured to activate the circuit or deactivate the circuit when contacted or having interacted with the analyte, wherein the sensor portion includes a conductive material associated with a polymer complex.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Data for: A Synoptic System for Capturing Ecosystem Control Points Across Terrestrial-Aquatic Interfaces

The investigation of how climate change and water level fluctuations impact variable and interconnected ecosystems, like the interfaces between terrestrial and aquatic environments, requires the collection and integration of many data types. We describe an integrative and autonomous environmental monitoring approach that uses environmental sensors and data loggers to monitor surface water, groundwater, soil, and vegetation changes and generate essential data for predictive models. We established the network at seven sites along the Chesapeake Bay and Lake Erie coastlines, including a large-scale flood manipulation experiment, collectively generating over three million observations per month. Such sensor networks hold great promise for tracking and comprehending environmental changes where land and water intersect. The sensor system and overall approach to sensor management that we have designed is intended to be widely accessible for research teams spanning in size from an individual investigator to large multi-institution projects. This dataset shows example data generated by the sensor network described above. Data output for data loggers connected to groundwater water quality sondes measuring dissolved oxygen, pH, oxidative redox potential (ORP), groundwater elevation, groundwater salinity and temperature, and groundwater elevation; replicate soil moisture and conductivity probes installed at 10 and 30 cm below the ground surface; rainfall and solar radiation; and mean sap flow from 8 replicate probes. Sensors are installed at upland forest (UP), wetlands (W), and transitional locations between these ecosystems (TR). Example datasets are from Goodwin Islands in the Chesapeake Bay and Portage River along the Lake Erie coastline.

54 ENVIRONMENTAL SCIENCES↗

AmeriFlux US-GL1 Stannard Rock

This is the AmeriFlux version of the carbon flux data for the site US-GL1 Stannard Rock. Site Description - Stannard Rock is located 39 km from the nearest shore (Keweenaw Peninsula) in Lake Superior, 44 miles NNE of Marquette, Michigan, and 24 miles ESE of Manitou Island. The site is located on the historic Stannard Rock Lighthouse, which was completed in 1882. Eddy covariance instrumentation was installed in 2008 by a network of scientists from both US and Canada, eventually to be called the Great Lakes Evaporation Network (GLEN). The intent of GLEN has been to provide observations of over-lake meteorology and evaporation, improve forecasting of Great Lakes water levels, and support a wide variety of stakeholders, including the National Weather Service (NWS), Environment and Climate Change Canada, National Oceanic and Atmospheric Administration, U.S. Coast Guard, recreational boaters and commercial shipping, emergency management officials, and the Great Lakes research community. The eddy covariance station along with other ancillary meteorological instrumentation is located at an approximate elevation of 39.2 meters above mean lake water level. Meteorological data from the lighthouse are sent to the National Data Buoy Center, where they can be viewed in real-time at http://www.ndbc.noaa.gov/station_page.php?station=stdm4 Uncorrected half-hour fluxes were computed directly on the logger using a 30-minute block averaging period as high-frequency data were not available. The half hour flux measurements downloaded from the datalogger were post-processed with the following filters and corrections. Latent and sensible heat and carbon dioxide fluxes were corrected with 2-D coordinate rotation. Although the primary objective of data collection at Stannard Rock was to quantify the evaporative flux, additional preliminary measurements of the carbon dioxide concentration and flux from the LI-7500 are also included in this dataset but it is advised to use the carbon data with caution. Carbon data reported in this dataset includes turbulent fluxes of CO2 with no storage correction (FC, µmol m-2 s-1) and CO2 density in mole fraction of wet air (CO2), which was originally output on the datalogger as average CO2 density (mg m-2 s-1) and converted into µmol mol-1 using air temperature and pressure in post-processing. Webb, Pearman, and Leuning terms were applied to account for density fluctuations for water vapor and CO2. Sonic path length, high-frequency attenuation and sensor separation were accounted for according to Horst and Massman, and the oxygen absorption correction for the KH2O hygrometer was also applied. Latent and sensible heat fluxes were assumed to be unrealistic above an absolute value of 1000 W m-2 and were removed. Both carbon flux (FC) and carbon dioxide mole fraction in wet air (CO2) and were assumed to be unrealistic above 1000 µmol m-2 s-1 and 1000 µmol mol-1 respectively. Spikes in latent and sensible heat and carbon fluxes and densities (often due to periods of precipitation) were identified by computing the mean and standard deviation over a moving, overlapping window of 336 half-hours (7 days), similar to Shao et al., and were removed when the flux was more than 1.5 standard deviations from the moving window’s mean. While Vickers and Mahrt use a threshold of 3.5 standard deviations from the mean, a conservative value of 1.5 was chosen due to the noisy nature of over-lake data at this particular site. This process was repeated twice for latent and sensible heat, and carbon dioxide fluxes and densities and therefore it is possible that some real, realistic data was filtered out in this process. No detrending was performed. As per AmeriFlux standards, no friction velocity (USTAR, m s-1) filtering was performed.

Spence, Chris↗

AmeriFlux FLUXNET-1F US-GL1 Stannard Rock

This is the AmeriFlux Management Project (AMP) created FLUXNET-1F version of the carbon flux data for the site US-GL1 Stannard Rock. This is the FLUXNET version of the carbon flux data for the site US-GL1 Stannard Rock produced by applying the standard ONEFlux (1F) software. Site Description - Stannard Rock is located 39 km from the nearest shore (Keweenaw Peninsula) in Lake Superior, 44 miles NNE of Marquette, Michigan, and 24 miles ESE of Manitou Island. The site is located on the historic Stannard Rock Lighthouse, which was completed in 1882. Eddy covariance instrumentation was installed in 2008 by a network of scientists from both US and Canada, eventually to be called the Great Lakes Evaporation Network (GLEN). The intent of GLEN has been to provide observations of over-lake meteorology and evaporation, improve forecasting of Great Lakes water levels, and support a wide variety of stakeholders, including the National Weather Service (NWS), Environment and Climate Change Canada, National Oceanic and Atmospheric Administration, U.S. Coast Guard, recreational boaters and commercial shipping, emergency management officials, and the Great Lakes research community. The eddy covariance station along with other ancillary meteorological instrumentation is located at an approximate elevation of 39.2 meters above mean lake water level. Meteorological data from the lighthouse are sent to the National Data Buoy Center, where they can be viewed in real-time at http://www.ndbc.noaa.gov/station_page.php?station=stdm4 Uncorrected half-hour fluxes were computed directly on the logger using a 30-minute block averaging period as high-frequency data were not available. The half hour flux measurements downloaded from the datalogger were post-processed with the following filters and corrections. Latent and sensible heat and carbon dioxide fluxes were corrected with 2-D coordinate rotation. Although the primary objective of data collection at Stannard Rock was to quantify the evaporative flux, additional preliminary measurements of the carbon dioxide concentration and flux from the LI-7500 are also included in this dataset but it is advised to use the carbon data with caution. Carbon data reported in this dataset includes turbulent fluxes of CO2 with no storage correction (FC, µmol m-2 s-1) and CO2 density in mole fraction of wet air (CO2), which was originally output on the datalogger as average CO2 density (mg m-2 s-1) and converted into µmol mol-1 using air temperature and pressure in post-processing. Webb, Pearman, and Leuning terms were applied to account for density fluctuations for water vapor and CO2. Sonic path length, high-frequency attenuation and sensor separation were accounted for according to Horst and Massman, and the oxygen absorption correction for the KH2O hygrometer was also applied. Latent and sensible heat fluxes were assumed to be unrealistic above an absolute value of 1000 W m-2 and were removed. Both carbon flux (FC) and carbon dioxide mole fraction in wet air (CO2) and were assumed to be unrealistic above 1000 µmol m-2 s-1 and 1000 µmol mol-1 respectively. Spikes in latent and sensible heat and carbon fluxes and densities (often due to periods of precipitation) were identified by computing the mean and standard deviation over a moving, overlapping window of 336 half-hours (7 days), similar to Shao et al., and were removed when the flux was more than 1.5 standard deviations from the moving window’s mean. While Vickers and Mahrt use a threshold of 3.5 standard deviations from the mean, a conservative value of 1.5 was chosen due to the noisy nature of over-lake data at this particular site. This process was repeated twice for latent and sensible heat, and carbon dioxide fluxes and densities and therefore it is possible that some real, realistic data was filtered out in this process. No detrending was performed. As per AmeriFlux standards, no friction velocity (USTAR, m s-1) filtering was performed.

Spence, Chris [Environment and Climate Change Cana↗

Microbial sensor system for the assessment of subsurface environments

A microbial sensor, system, and method that can be used to determine a chemical environment and/or substrate concentrations in anaerobic or aerobic environments, such as soils, sediments and ground waters, are disclosed. An exemplary system uses one or more (e.g., inert) measurement electrodes and a reference electrode. The reference electrode can include an electrode exposed to atmospheric oxygen (e.g., a cathode) or an electrode exposed to stable anaerobic or aerobic conditions. The exemplary microbial sensor system measures open-circuit voltage to characterize the chemical (oxidizing or reducing) environment and/or recovery voltage to measure substrate concentrations in the subsurface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Microbial sensor system for the assessment of subsurface environments

A microbial sensor, system, and method that can be used to determine a chemical environment and/or substrate concentrations in anaerobic or aerobic environments, such as soils, sediments and ground waters, are disclosed. An exemplary system uses one or more (e.g., inert) measurement electrodes and a reference electrode. The reference electrode can include an electrode exposed to atmospheric oxygen (e.g., a cathode) or an electrode exposed to stable anaerobic or aerobic conditions. The exemplary microbial sensor system measures open-circuit voltage to characterize the chemical (oxidizing or reducing) environment and/or recovery voltage to measure substrate concentrations in the subsurface.

Burge, Scott R.↗

LIGHT-bgcArgo-1.0: using synthetic float capabilities in E3SMv2 to assess spatiotemporal variability in ocean physics and biogeochemistry

Since their advent over 2 decades ago, autonomous Argo floats have revolutionized the field of oceanography, and, more recently, the addition of biogeochemical and biological sensors to these floats has greatly improved our understanding of carbon, nutrient, and oxygen cycling in the ocean. While Argo floats offer unprecedented horizontal, vertical, and temporal coverage of the global ocean, uncertainties remain about whether Argo sampling frequency and density capture the true spatiotemporal variability in physical, biogeochemical, and biological properties. As the true distributions of, e.g., temperature or oxygen are unknown, these uncertainties remain difficult to address with Argo floats alone. Numerical models with synthetic observing systems offer one potential avenue to address these uncertainties. Here, we implement synthetic biogeochemical Argo floats into the Energy Exascale Earth System Model version 2 (E3SMv2), which build on the Lagrangian In Situ Global High-Performance Particle Tracking (LIGHT) module in E3SMv2 (E3SMv2-LIGHT-bgcArgo-1.0). Since the synthetic floats sample the model fields at model run time, the end user defines the sampling protocol ahead of any model simulation, including the number and distribution of synthetic floats to be deployed, their sampling frequency, and the prognostic or diagnostic model fields to be sampled. Using a 6-year proof-of-concept simulation, we illustrate the utility of the synthetic floats in different case studies. In particular, we quantify the impact of (i) sampling density on the float-derived detection of deep-ocean change in temperature or oxygen and on float-derived estimates of phytoplankton phenology, (ii) sampling frequency and sea-ice cover on float trajectory lengths and hence float-derived estimates of current velocities, and (iii) short-term variability in ecosystem stressors on estimates of their seasonal variability.

54 ENVIRONMENTAL SCIENCES↗

Surface oxygen exchange kinetics of mixed conducting oxides: Dilatometric vs electrical conductivity relaxation study

The surface oxygen exchange kinetics of mixed ionic-electronic conducting (MIEC) oxides play a crucial role in a variety of applications, including solid oxide fuel/electrolysis cells (SOFCs/SOECs), permeation membranes and sensors. To date, a variety of methods, including isotope exchange, electrical conductivity, optical absorptivity and thermogravimetry relaxation, and impedance spectroscopy have been used to measure the oxygen exchange coefficient of MIEC oxides. Each of these methods have their advantages and limitations, depending on the physical and chemical properties of the investigated materials and their sample dimensions and densities. Here, we demonstrate the ability to precisely measure the surface oxygen exchange coefficient (k chem ) of MIEC model material Pr 0.1 Ce 0.9 O 2-δ (PCO) by use of dilatometric relaxation measurements, particularly of interest for materials that exhibit larger chemical expansion coefficients. This is achieved by use of porous bulk specimens to ensure that the contribution of oxygen exchange to the overall kinetics is dominant. We demonstrate that k chem values extracted from chemical expansion relaxation measurements on PCO are nearly identical to those derived from electrical conductivity relaxation measurements. As a result, this provides the opportunity to precisely investigate the oxygen exchange and chemical expansion kinetics of a wide range of materials used in high-temperature applications, particularly where more conventional methods are difficult or inappropriate to apply.

(Pr,Ce)O2-x↗

XPS analysis of molecular contamination and sp 2 amorphous carbon on oxidized (100) diamond

The efficacy of oxygen (O) surface terminations on diamond is an important factor for the performance and stability for diamond-based quantum sensors and electronics. Given the wide breadth of O-termination techniques, it can be difficult to discern which method would yield the highest and most consistent O coverage. Furthermore, the interpretation of surface characterization techniques is complicated by surface morphology and purity, which if not accounted for will yield inconsistent determination of the oxygen coverage. We present a comprehensive approach to consistently prepare and analyze oxygen termination of surfaces on (100) single-crystalline diamond. We report on x-ray photoelectron spectroscopy (XPS) characterization of diamond surfaces treated with six oxidation methods that include various wet chemical oxidation techniques, photochemical oxidation with UV illumination, and steam oxidation using atomic layer deposition (ALD). Our analysis entails a rigorous XPS peak-fitting procedure for measuring the functionalization of O-terminated diamond. The findings herein have provided molecular-level insights on oxidized surfaces in (100) diamond, including the demonstration of clear correlation between the measured oxygen atomic percentage and the presence of molecular contaminants containing nitrogen, silicon, and sulfur. We also provide a comparison of the sp 2 carbon content with the O1s atomic percentage and discern a correlation with the diamond samples treated with dry oxidation which eventually tapers off at a max O1s atomic percentage value of 7.09 ± 0.40%. Given these results, we conclude that the dry oxidation methods yield some of the highest oxygen amounts, with the ALD water vapor technique proving to be the cleanest technique out of all the oxidation methods explored in this work.

XPS↗