Results for “sample site selection” — Page 2

DOE OSTI2025

Long-term measurements of ice nucleating particles at Atmospheric Radiation Measurement (ARM) sites worldwide

Ice nucleating particles (INPs) play a critical role in cloud microphysics and precipitation formation, yet long-term, spatially extensive observational datasets remain limited. Here, we present one of the most comprehensive publicly available datasets of immersion-mode INP concentrations using a single analytical method, generated through the U.S. Department of Energy's (DOE) Atmospheric Radiation Measurement (ARM) user facility. INP filter samples have been collected across a broad range of environments – including agricultural plains, Arctic coastlines, high-elevation mountain sites, marine regions, and urban areas – via fixed observatories, mobile facility deployments, and vertically-resolved tethered balloon system operations. We describe the standardized processing and quality assurance pipeline, from filter collection and processing using the Ice Nucleation Spectrometer to final data products archived on the ARM Data Discovery portal. The dataset includes both total INP concentrations and selectively treated samples, allowing for classification of biological, organic, and inorganic INP types. It features a continuous 5-year record of INP measurements from a central U.S. site, with data collection still ongoing. Seasonal and site-specific differences in INP concentrations are illustrated through intercomparisons at −10 and −20 °C, revealing distinct regional sources and atmospheric drivers. We also outline mechanisms for researchers to access existing data, request additional sample analyses, and propose future field campaigns involving ARM INP measurements. This dataset supports a wide range of scientific applications, from observational and mechanistic studies to model development, and provides critical constraints on aerosol-cloud interactions across diverse atmospheric regimes (Creamean et al., 2024, 2020b; https://doi.org/10.5439/1770816).

Creamean, Jessie M. [Colorado State Univ., Fort Co↗

DOE OSTI2025

Federal Workplace Charging Program Guide

The 2015 Fixing America's Surface Transportation (FAST) Act authorizes the installation, operation, and maintenance of electric vehicle supply equipment (EVSE) for the purpose of recharging employees' privately owned vehicles (POVs) under the custody or control of the General Services Administration (GSA) or a Federal agency. It requires the collection of fees to recover the costs of installing, operating, and maintaining this equipment and imposes reporting requirements. This program guide reviews those requirements, excerpts the relevant language in Appendix A, and describes when and how fees may be required to cover costs of electricity, network costs, EVSE units, and installations in various scenarios. This program guide is designed to support Federal agencies developing and refining workplace charging programs for employee POVs. While it provides guidance and best practices, it does not replace agencywide policies or agency-specific legal counsel. It contains a roadmap for agency workplace charging programs and defines roles and responsibilities. This guide explains how to determine the number of POVs likely to charge at a given site and contains a sample employee survey in Appendix B. It reviews EVSE planning, including unit selection and acquisition, charger location(s), accounting for available power capacity, using existing infrastructure, and funding an incentive program. It also discusses the costs associated with EVSE acquisition, installation, and network management. These costs inform the subsequently provided information, which describes how to amortize costs to determine appropriate fees for each charging session. The final two sections of this guide address aspects of ongoing program management that the facility coordinator should consider and the reporting requirements associated with the FAST Act. The insights in this guide are applicable to all agency-owned and GSA-leased buildings or facilities offering the use of EVSE or a 120-volt receptacle for the purpose of recharging an employee's POV. However, the FAST Act requirements typically do not apply to any building or facility operated and maintained by a third-party vendor offering the use of EVSE as part of a commercial building lease unless the agency is managing the station and/or energy on behalf of the building and collecting POV fees.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2022

Triton Field Trials - Changes in Habitats, a Literature Review of Monitoring Technologies

Marine energy devices are installed in highly dynamic environments and have the potential to affect benthic and pelagic habitats around them. Regulatory bodies often require baseline characterization and/or post-installation monitoring to determine whether changes in these habitats are being observed. However, a great diversity of technologies is available for surveying and sampling marine habitats. Selecting the most suitable instrument to identify and measure changes in habitats at marine energy sites can become a daunting task. We conducted a thorough review of journal articles, survey reports, and grey literature to extract information about the technologies used, the data collection and processing methods, and the performance and effectiveness of these instruments. We examined documents related to marine energy development, offshore wind farms, oil and gas offshore sites, and other marine industries around the world over the last 20 years, as well as national and international guidelines for surveying habitats around offshore activities. A total of 120 different technologies were identified across six main habitat categories: seafloor, sediment, infauna, epifauna, pelagic, and biofouling. The technologies were organized into 12 broad technology classes: acoustic, corer, dredge, grab, hook and line, net and trawl, plate, remote sensing, scrape samples, trap, visual, and others. Visual was the most common and the most diverse technology class, with applications across all six habitat categories. Sampling designs varied considerably among the reviewed studies but transect was the predominant design for surveying seafloor, epifauna, and pelagic habitats. The most common data analyses were univariate and multivariate statistical analyses aimed at calculating and comparing biodiversity indices, characterizing faunal assemblages or sediment classes, or modeling the distribution of animals related to abiotic parameters. Technologies and sampling methods adaptable and designed to work efficiently in energetic environments have greater success at marine energy sites. In addition, sampling designs and statistical analyses should be carefully thought through to identify differences in faunal assemblages and spatiotemporal changes in habitats.

16 TIDAL AND WAVE POWER↗

DOE OSTI2022

What’s in My Toolkit? A Review of Technologies for Assessing Changes in Habitats Caused by Marine Energy Development

Marine energy devices are installed in highly dynamic environments and have the potential to affect the benthic and pelagic habitats around them. Regulatory bodies often require baseline characterization and/or post-installation monitoring to determine whether changes in these habitats are being observed. However, a great diversity of technologies is available for surveying and sampling marine habitats, and selecting the most suitable instrument to identify and measure changes in habitats at marine energy sites can become a daunting task. We conducted a thorough review of journal articles, survey reports, and grey literature to extract information about the technologies used, the data collection and processing methods, and the performance and effectiveness of these instruments. We examined documents related to marine energy development, offshore wind farms, oil and gas offshore sites, and other marine industries around the world over the last 20 years. A total of 120 different technologies were identified across six main habitat categories: seafloor, sediment, infauna, epifauna, pelagic, and biofouling. The technologies were organized into 12 broad technology classes: acoustic, corer, dredge, grab, hook and line, net and trawl, plate, remote sensing, scrape samples, trap, visual, and others. Visual was the most common and the most diverse technology class, with applications across all six habitat categories. Technologies and sampling methods that are designed for working efficiently in energetic environments have greater success at marine energy sites. In addition, sampling designs and statistical analyses should be carefully thought through to identify differences in faunal assemblages and spatiotemporal changes in habitats.

16 TIDAL AND WAVE POWER↗

DOE OSTI2023

Estimation of hydraulic conductivity in a watershed using sparse multi-source data via Gaussian process regression and Bayesian experimental design

Enhanced water management systems depend on accurate estimation of subsurface hydraulic properties. However, geologic formations can vary significantly, so information from a single source (e.g., widely spaced boreholes) is insufficient in characterizing subsurface aquifer properties. Therefore, multiple sources of information are needed to complement the hydrogeology understanding of a region. Here, this study presents a numerical framework in which information from different measurement sources is combined to characterize the 3D random field in a multi-fidelity prediction model. Coupled with the model, a Bayesian experimental design was used to determine the best future sampling locations. The Upper Sangamon watershed in east-central Illinois was selected as the case study site, where the multi-fidelity Gaussian process model was used to estimate the hydraulic conductivity in the region of interest. Multi-source observation data were obtained from electrical resistivity and borehole pumping tests. The accuracy of the model prediction is dependent on the locations and the distribution of both high- and low-fidelity data. Furthermore, the multi-fidelity model was compared with the single-fidelity model. The uncertainties and confidence in the measurements and parameter estimates were quantified and used to design future cycles of data collection to further improve the confidence intervals.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Anthropogenic Markers in Alta Irrigation District Water Supply Wells

In July 2016, LLNL produced a report for the Kings River Watershed Coalition Authority (KRWCA) entitled “Groundwater Age and Nitrate Isotopic Composition in Alta Irrigation District Water Supply Wells” (Esser et al., 2016). That report summarized groundwater age and nitrate isotopic composition data produced by LLNL for Alta Irrigation District (AID) groundwater wells sampled by KRWCA in a pilot project to test the utility of advanced isotopic methods for constraining the timing and source of nitrate in groundwater at selected sites in the Kings River service area. One section of that report made recommendations for follow-on study. The first and strongest recommendation was to measure a wider suite of source tracers including co-contaminants such as herbicides, pesticides, pharmaceuticals, personal care products, and food constituents and additives. KRWCA followed up on this recommendation in Phase II of the pilot study by re-sampling the original set of wells and submitting the samples to a commercial laboratory for analysis of a limited range of co-contaminants (including pharmaceuticals, personal care products , and food constituents and additives, but not including herbicides or pesticides). They have asked that LLNL review and interpret these data in the context of previous LLNL analyses and to evaluate the utility of such co-contaminant analyses in providing additional constraints on the source of groundwater nitrate contamination in Alta Irrigation District water supply wells. The goal of the second phase of this pilot project is to evaluate the utility of co-contaminant occurrence for constraining nitrate source in groundwater at selected sites in the Kings River service area, with special reference to the use of such data in conjunction with advanced isotopic methods such as nitrate isotopic composition and groundwater age. Nitrate isotopic composition alone cannot distinguish nitrate derived from animal manure from nitrate derived from human septic waste. The presence or absence of agricultural chemicals (herbicides, pesticides, veterinary pharmaceuticals) or chemicals associated with people (human pharmaceuticals, artificial sweeteners) can help make this distinction. Co-contaminant analyses using multi-analyte LC-MS-MS protocols are now commercially available and reasonably priced. The feasibility and utility of the using co-contaminants for nitrate source attribution can be evaluated by 1) determining the degree to which co-contaminants occur in distinct and easily attributable groupings (e.g. agricultural chemicals vs personal care products and food additives); 2) determining the degree to which co-contaminant occurrence is consistent with nitrate isotopic composition and groundwater age (e.g. no co-contaminant occurrence in very old groundwater; co-contaminants consistent with animal manure or human septic waste occurring in groundwaters having nitrate isotopic composition also consistent with animal manure or human septic waste); and 3) determining the degree to which co-contaminants provide additional constraint on nitrate source over and beyond nitrate isotopic composition and groundwater age (e.g. distinguishing between animal manure and human septic waste).

58 GEOSCIENCES↗

DOE OSTI2020

Environmental fate of radiocesium in biota inhabiting a contaminated ecosystem on the U.S. Department of Energy's Savannah River Site

Although biomagnification of radiocesium ( 137 Cs) has been reported in food webs, most previous research has been limited to select trophic linkages. Few studies have included a comprehensive survey of fauna associated with aquatic, semi-aquatic, and terrestrial habitats within a single study framework. The objectives of this study were to advance our understanding of the dynamics of 137 Cs accumulation within food webs by quantifying 137 Cs activity across a wide range of biota found within a contaminated canal, as well as test the hypothesis that life-stage and body size influence 137 Cs bioaccumulation in select herpetofauna. With extensive sampling across multiple taxa collected from a contaminated canal system and associated floodplain on the Savannah River Site, we assessed 137 Cs activity and stable nitrogen isotopes for both aquatic organisms that were restricted to the contaminated effluent canal, and semi-aquatic organisms able to move freely between the contaminated canal and the adjacent uncontaminated terrestrial habitat. We found 137 Cs activity to be highly variable among species, with evidence for and against biomagnification in semi-aquatic and aquatic organisms, respectively. Furthermore, 137 Cs activity decreased with life stage and body size in bullfrogs (Lithobates catesbeianus), despite post-metamorphic bullfrogs having a more carnivorous diet compared to tadpoles, while cottonmouths (Agkistrodon piscivorus) retained similar 137 Cs activity regardless of their age and size. While evidence of biomagnification has been observed in some contaminated systems, results of our study suggest the extent to which 137 Cs biomagnifies within food webs is context-dependent and likely influenced by a suite of biotic and abiotic factors. Further, our data indicate sampling of a broad suite of species and environmental attributes are needed to elucidate the fate and dynamics of anthropogenic pollutants within contaminated ecosystems.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Orbitrap LC-MS Analysis of Nanoparticle Composition at the EPCAPE Mount Soledad site between 04 18 2023 and 06 14 2023

Weekly peak lists containing m/z, intensity, and assigned formula for filter samples, size selected for sub-100 nm particles. Filters were collected daily between 4/18/23 and 6/14/23, grouped based on calendar week for extraction, and analyzed via Thermo Scientific Q Exactive Plus Orbitrap LC-MS. Formulas were assigned to background-corrected peak lists and restricted to CHONS/CHONSNa atoms for the negative and positive modes respectively. Filters were grouped into calendar weeks 0-8 with dates provided in README text file.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Post-fire time series of sensor and geochemistry sample data from surface water, groundwater, precipitation, soil, and vegetation across Oak Creek watershed, Washington

This dataset supports a broader study examining wildfire impacts on hydrologic connectivity across 5 sites within the Oak Creek watershed and the resulting biogeochemical impacts. Stream sites were selected using the Advanced Terrestrial Simulator (ATS) hydrologic model to identify locations with varying groundwater contributions and hydrologic responses across different burn severity scenarios. The Retreat Fire burned from July 23 to August 2 in 2024, affecting the five study sites at varying burn severities. Each site is equipped with YSI EXO2 sondes logging sub-hourly throughout the year, and grab samples are collected approximately every six weeks. YSI sondes are used to measure temporally resolved proxies for groundwater inputs (specific conductivity) and organic matter (fluorescent dissolved organic matter; fDOM) along with basic water quality and depth. Grab samples of surface water, groundwater, and precipitation are analyzed for water stable isotopes and conductivity to understand endmembers for hydrologic mixing Grab samples of surface water, groundwater, soil water, and litter/vegetation/soil leachates are analyzed for organic matter composition measured by Fourier-Transform Ion Cyclotron Resonance Mass Spectrometry (FTICR-MS) to understand organic matter dynamics. Game camera photos are provided in a separate data package available at https://data.ess-dive.lbl.gov/datasets/doi:10.15485/3018598. Future versions of this dataset will include time series data from YSI EXO2 sondes (fDOM, dissolved oxygen, temperature, depth, specific conductance, turbidity, pH), BaroTROLL sensors (air temperature and barometric pressure), rain gauges (precipitation), and data from the soil and vegetation samples. Because this study is ongoing, this data package will be updated regularly to include newly collected data and the additional data types. For details on how to navigate data packages generated by this project, see https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA/About. In addition to a readme, this data package also includes a file-level metadata (FLMD) file that describes each file and a data dictionary (DD) that describes all column/row headers and variable definitions. This dataset is comprised of (1) a folder of field photos; (2) a folder of surface water sample data; (3) a folder of raw Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) data; (4) a data checks report; (5) file-level metadata; (6) data dictionary; (7) field metadata; (8) readme; (9) international generic sample number (IGSN) mapping file; and (10) field protocols. The sample data subfolder contains (1) dissolved organic carbon (DOC, measured as non-purgeable organic carbon, NPOC) data and averages; (2) total dissolved nitrogen data and averages; (3) stable water isotopes and averages; (4) methods codes; (5) FTICR-MS methods; and (15) a subfolder of 9.4 Tesla (9.4T) FTICR-MS data. This folder contains the processed data and three subfolders, one containing the .xml 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). All files are .csv, .pdf, .R, .xml, .d, .html, .Rmd, .py, .cal, .json, .jpg, .jpeg, .png, .mov, or .mp4.

Biogeochemistry↗

DOE OSTI2023

CPC data from TAMU TRACER campaign in the Houston, TX region from July to September 2022

During TRACER, the Texas A&M Rapid Onsite Atmospheric Measurements Van (ROAM-V) was deployed to capture airmasses behind (maritime) and ahead (continental) of the passage of the sea-breeze front through Houston. On select sampling days, ROAM-V sampled in the morning/mid-day on the coast and then transited to a second inland site for the afternoon/evening. The suite of instruments deployed on ROAM-V included a Condensation Particle Counter (CPC; GRIMM Model 5.403 CPC), Scanning Mobility Particle Sizer (SMPS; TSI 3750 detector, TSI 3082 classifier, TSI 3088 neutralizer, TSI 3081A Differential Mobility Analyzer), Cloud Condensation Nuclei counter (Droplet Measurement Technologies CCN Counter), micro pulse lidar (Droplet Measurement Technologies Micro Pulse LiDAR (miniMPL)), and a Davis Rotating Uniform size-cut Monitor (DRUM; DRUMAir 4-DRUM). Before sampling at each location, the latitude and longitude were recorded using the GPS on the phone application “My Altitude”. Onboard the ROAM-V, aerosol samples are drawn through a shared isokinetic inlet at a flow rate ranging from 3.5 to 7.0 LPM. A portion of this flow is directed through a cyclone impactor (Brechtel, Inc. Model SCC 0.732) and 0.3 LPM is directed to the CPC. To correct the data for particle losses, we used a two-step method. First, the measured SMPS size distributions were used to calculate total particle loss through the inlet for every SMPS scan at a single deployment location. Second, the CPC data was corrected for particle losses using the average of the total losses per scan. This calculation was done separately for each deployment location due to changes in the measured size distributions between locations. Particle loss from diffusion (based on Kesten, 1991 and Gormley, 1949), inertial impaction in 90-degree bends (based on Aerosol Measurement, 2011 and Crane, 1977), and cyclone impactor efficiency (based on Dirgo, 1985) were included in the loss calculation. When the SMPS was not sampling at a location (in the case of an instrument malfunction or operator error), the reported CPC data was corrected with an average of the total losses for the entire campaign at the specified deployment location (e.g., if we needed to correct Galveston data, then the average of all calculated losses at Galveston was taken). These flatline corrections were used for all data on 22/07/13, 22/07/20, 22/07/22, and the data from Galveston on 22/08/09. An additional flatline correction of 14% was applied to all CPC data based on laboratory calibration prior to and after the campaign. In laboratory calibrations, we identified that for the same sample of air the field CPC (GRIMM Model 5.403 CPC) undercounted the total concentration of particles by 14% compared to the ground truth laboratory CPC (TSI Model 3750). This data was collected for ARM Field Campaign AFC07055 and supported by DOE ASR grant DE-SC0021047. For any further questions, please feel free to contact the instrument PI, Sarah D. Brooks, sbrooks@tamu.edu. Kesten et. al. Calibration of a TSI Model 3025 Ultrafine Condensation Particle Counter. Aerosol Science and Technology, 15:2, 107-111, 1991. Gormley et. al. Diffusion from a Stream Flowing through a Cylindrical Tube. Proceedings of the Royal Irish Academy, Vol 52, 163-169, 1948. Aerosol Measurement: Principles, Techniques, and Applications, Third Edition. John Wiley & Sons, Inc, 2011. Crane et. al. Inertial Deposition of Particles in a Bent Pipe. Journal of Aerosol Science, Vol 8, 161-170, 1977. Dirgo et. al. Cyclone Collection Efficiency: Comparison of Experimental Results with Theoretical Predictions. Aerosol Science and Technology, 4:4, 401-415, 1985.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

CCN data from TAMU TRACER campaign in the Houston TX region from July to September 2022

During TRACER, the Texas A&M Rapid Onsite Atmospheric Measurements Van (ROAM-V) was deployed to capture airmasses behind (maritime) and ahead (continental) of the passage of the sea-breeze front through Houston. On select sampling days, ROAM-V sampled in the morning/mid-day on the coast and then transited to a second inland site for the afternoon/evening. The suite of instruments deployed on ROAM-V included a Condensation Particle Counter (CPC; GRIMM Model 5.403 CPC), Scanning Mobility Particle Sizer (SMPS; TSI 3750 detector, TSI 3082 classifier, TSI 3088 neutralizer, TSI 3081A Differential Mobility Analyzer), Cloud Condensation Nuclei counter (Droplet Measurement Technologies CCN Counter), micro pulse lidar (Droplet Measurement Technologies Micro Pulse LiDAR (miniMPL)), and a Davis Rotating Uniform size-cut Monitor (DRUM; DRUMAir 4-DRUM). Before sampling at each location, the latitude and longitude were recorded using the GPS on the phone application “My Altitude”. Onboard the ROAM-V, aerosol samples are drawn through a shared isokinetic inlet at a flow rate ranging from 3.5 to 7.0 LPM. A portion of this flow is directed through a cyclone impactor (Brechtel, Inc. Model SCC 0.732) and 0.5 LPM is directed to the CCN. To calculate particle losses, we used a two-step method. First, the measured SMPS size distributions were used to calculate particle loss through the inlet during sampling. Second, the corrected SMPS data was used to calculate the average of the total losses per scan down the CCN line. Then, the correction was applied to the CCN data. This calculation was done separately for each deployment location due to changes in the measured size distributions between locations. Particle loss from diffusion (based on Kesten, 1991 and Gormley, 1949), inertial impaction in 90-degree bends (based on Aerosol Measurement, 2011 and Crane, 1977), and cyclone impactor efficiency (based on Dirgo, 1985) were included in the loss calculation. When the SMPS was not sampling at a location (in the case of an instrument malfunction or operator error), the reported CPC data was corrected with an average of the total losses for the entire campaign at the specified deployment location (e.g., if we needed to correct Galveston data, then the average of all calculated losses at Galveston was taken). These flatline corrections were used for all data on 22/07/13, 22/07/20, 22/07/22, and the data from Galveston on 22/08/09. The supersaturation uncertainty is estimated conservatively at +/- 0.03%, where variation in the inlet temperature, pressure, and calibration technique prevents a more accurate measurement. Confidence in the reported supersaturation measurements is based on a pre-campaign calibration (following the methods from our previous work and Deng, 2014 based on Rose, 2008) in addition to inter-comparisons with the DOE for two days (22/08/18 and 22/09/01) where TAMU was co-located with AMF1. The inter-comparisons show good agreement between our instrument and the DOEs instrument on both days at all supersaturations. After the last inter-comparison on 22/09/01, there was no indication of a malfunction by our instrument through the rest of the campaign. Unfortunately, the instrument was dropped during demobilization. A post-campaign calibration was conducted, which showed a substantial departure from the pre-campaign calibration. The drop may have damaged the instrument’s ability to produce the desired supersaturations. Therefore, we do consider the data after 22/09/01 to be correct, but it should be used with caution. The CCN counter sampled for 3 minutes at each supersaturation setpoint (0.2, 0.4, 0.6, 0.8, 1.0, and 1.2%). At the end of a cycle, the instrument was set to 0.01% supersaturation for 5 minutes. The data is comprised of the last 60 seconds of each supersaturation set point (0.2, 0.4, 0.6, 0.8, 1.0, and 1.2%) to ensure the instrument stabilized and was able to reach thermal equilibrium. We removed the data during the periods where there were operational difficulties, setup, or maintenance. This data was collected for ARM Field Campaign AFC07055 and supported by DOE ASR grant DE-SC0021047. For any further questions, please feel free to contact the instrument PI, Sarah D. Brooks, sbrooks@tamu.edu. Rose et. al. Calibration and Measurement Uncertainties of a Continuous-Flow Cloud Condensation Nuclei Counter (DMT-CCNC): CCN Activation of Ammonium Sulfate and Sodium Chloride Aerosol Particles in Theory and Experiment. Atmos. Chem. Phys., 8, 1153-1179, 2008. Deng et. al. Using Raman Microspectroscopy to Determine Chemical Composition and Mixing State of Airborne Marine Aerosols over the Pacific Ocean. Aerosol Science and Technology, Vol 48, Issue 2, 2014. Kesten et. al. Calibration of a TSI Model 3025 Ultrafine Condensation Particle Counter. Aerosol Science and Technology, 15:2, 107-111, 1991. Gormley et. al. Diffusion from a Stream Flowing through a Cylindrical Tube. Proceedings of the Royal Irish Academy, Vol 52, 163-169, 1948. Aerosol Measurement: Principles, Techniques, and Applications, Third Edition. John Wiley & Sons, Inc, 2011. Crane et. al. Inertial Deposition of Particles in a Bent Pipe. Journal of Aerosol Science, Vol 8, 161-170, 1977. Dirgo et. al. Cyclone Collection Efficiency: Comparison of Experimental Results with Theoretical Predictions. Aerosol Science and Technology, 4:4, 401-415, 1985.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

SMPS data from TAMU TRACER campaign in the Houston TX region from July to September 2022

During TRACER, the Texas A&M Rapid Onsite Atmospheric Measurements Van (ROAM-V) was deployed to capture airmasses behind (maritime) and ahead (continental) of the passage of the sea-breeze front through Houston. On select sampling days, ROAM-V sampled in the morning/mid-day on the coast and then transited to a second inland site for the afternoon/evening. The suite of instruments deployed on ROAM-V included a Condensation Particle Counter (CPC; GRIMM Model 5.403 CPC), Scanning Mobility Particle Sizer (SMPS; TSI 3750 detector, TSI 3082 classifier, TSI 3088 neutralizer, TSI 3081A Differential Mobility Analyzer), Cloud Condensation Nuclei counter (Droplet Measurement Technologies CCN Counter), micro pulse lidar (Droplet Measurement Technologies Micro Pulse LiDAR (miniMPL)), and a Davis Rotating Uniform size-cut Monitor (DRUM; DRUMAir 4-DRUM). Before sampling at each location, the latitude and longitude were recorded using the GPS on the phone application “My Altitude”. Onboard the ROAM-V, aerosol samples are drawn through a shared isokinetic inlet at a flow rate ranging from 3.5 to 7.0 LPM. A portion of this flow, 1.0 LPM, is directed through TSI's 0.071 cm impactor attached to the classifier of the SMPS setup. The SMPS’s DMA and CPC are connected through a 20.3 cm length of 0.48 cm diameter tubing. Measured SMPS size distributions were used to calculate size-dependent particle losses for each SMPS scan. Particle losses from diffusion (based on Kesten, 1991 and Gormley, 1949) and inertial impaction in 90-degree bends (based on Aerosol Measurement, 2011 and Crane, 1977) were included in the loss calculation. This data was collected for ARM Field Campaign AFC07055 and supported by DOE ASR grant DE-SC0021047. For any further questions, please feel free to contact the instrument PI, Sarah D. Brooks, sbrooks@tamu.edu. Kesten et. al. Calibration of a TSI Model 3025 Ultrafine Condensation Particle Counter. Aerosol Science and Technology, 15:2, 107-111, 1991. Gormley et. al. Diffusion from a Stream Flowing through a Cylindrical Tube. Proceedings of the Royal Irish Academy, Vol 52, 163-169, 1948. Aerosol Measurement: Principles, Techniques, and Applications, Third Edition. John Wiley & Sons, Inc, 2011. Crane et. al. Inertial Deposition of Particles in a Bent Pipe. Journal of Aerosol Science, Vol 8, 161-170, 1977.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Mini-Micropulse Lidar data from TAMU TRACER campaign in the Houston TX region from July to September 2022

During TRACER, the Texas A&M Rapid Onsite Atmospheric Measurements Van (ROAM-V) was deployed to capture airmasses behind (maritime) and ahead (continental) of the passage of the sea-breeze front through Houston. On select sampling days, ROAM-V sampled in the morning/mid-day on the coast and then transited to a second inland site for the afternoon/evening. The suite of instruments deployed on ROAM-V included a Condensation Particle Counter (CPC; GRIMM Model 5.403 CPC), Scanning Mobility Particle Sizer (SMPS; TSI 3750 detector, TSI 3082 classifier, TSI 3088 neutralizer, TSI 3081A Differential Mobility Analyzer), Cloud Condensation Nuclei counter (Droplet Measurement Technologies CCN Counter), micro pulse lidar (Droplet Measurement Technologies Micro Pulse LiDAR (mini-MPL)), and a Davis Rotating Uniform size-cut Monitor (DRUM; DRUMAir 4-DRUM). Before sampling at each location, the latitude and longitude were recorded using the GPS on the phone application “My Altitude”. The mini-MPL deployed with ROAM-V is a 532 nm elastic and polarization lidar. The mini-MPL outputs normalized relative backscatter (NRB) derived from raw signal after after-pulse, overlap, and dead-time correction calibration. The depolarization ratio is calculated from the co-polarized and cross-polarized NRB (Flynna et al., 2007). The NRB and depolarization ratio data are resampled from the original data at 1-minute intervals. The vertical resolution of the mini-MPL data is 15 meters. The mini-MPL data can be used to determine the boundary layer, cloud top, and cloud bottom height and can be used to retrieve aerosol type and concentration profile. This data was collected for ARM Field Campaign AFC07055 and supported by DOE ASR grant DE-SC0021047. For any further questions, please feel free to contact the instrument PI, Sarah D. Brooks, sbrooks@tamu.edu . Flynna, C. J., Mendozaa, A., Zhengb, Y., & Mathurb, S. (2007). Novel polarization-sensitive micropulse lidar measurement technique. Optics express, 15(6), 2785-2790.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Toward Spatial Control of Reaction Selectivity on Photocatalysts Using Area-Selective Atomic Layer Deposition on the Model Dual Site Electrocatalyst Platform

Photocatalytic water splitting is a promising route to low-cost, green H 2 . However, this approach is currently limited in its solar-to-hydrogen conversion efficiency. One major source of efficiency loss is attributed to the high rates of undesired side and back reactions, which are exacerbated by the proximity of neighboring oxidation and reduction sites. Nanoscopic oxide coatings have previously been used to selectively block undesired reactants from reaching active sites; however, a coating encapsulating the entire photocatalyst particle limits activity as it cannot facilitate both half-reactions. In this work, area selective atomic layer deposition (AS-ALD) was used to selectively deposit semipermeable TiO 2 films onto model metallic cocatalysts for enhancing reaction selectivity while maintaining a high overall activity. Pt and Au were used as exemplary reduction and oxidation cocatalyst sites, respectively, where Au was deactivated toward ALD growth through self-assembled thiol monolayers while TiO 2 was coated onto Pt sites. Electroanalytical measurements of monometallic thin film electrodes showed that the TiO 2 -encapsulated Pt effectively suppressed undesired H 2 oxidation and Fe(II)/Fe(III) redox reactions while still permitting the desired hydrogen evolution reaction (HER). A planar model photocatalyst platform containing patterned interdigitated arrays of Au and Pt microelectrodes was further assessed using scanning electrochemical microscopy (SECM), demonstrating the successful use of AS-ALD to enable local reaction selectivity in a dual-reaction-site (photo)electrocatalytic system. Finally, interdigitated microelectrodes having independent potential control were used to show that selectively deposited TiO 2 coatings can suppress the rate of back reactions on neighboring active sites by an order of magnitude compared with uncoated control samples.

08 HYDROGEN↗

DOE OSTI2024

Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography

Enzymes populate ensembles of structures necessary for catalysis that are difficult to experimentally characterize. We use time-resolved mix-and-inject serial crystallography at an x-ray free electron laser to observe catalysis in a designed mutant isocyanide hydratase (ICH) enzyme that enhances sampling of important minor conformations. The active site exists in a mixture of conformations, and formation of the thioimidate intermediate selects for catalytically competent substates. The influence of cysteine ionization on the ICH ensemble is validated by determining structures of the enzyme at multiple pH values. Large molecular dynamics simulations in crystallo and time-resolved electron density maps show that Asp 17 ionizes during catalysis and causes conformational changes that propagate across the dimer, permitting water to enter the active site for intermediate hydrolysis. ICH exhibits a tight coupling between ionization of active site residues and catalysis-activated protein motions, exemplifying a mechanism of electrostatic control of enzyme dynamics.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Ice Nucleation Measurements during TRACER (Field Campaign Report)

This campaign, Ice Nucleation Measurements during TRACER, was conducted during the TRacking Aerosol Convection Interactions ExpeRiment (TRACER) in Houston, Texas during June-September, 2022. Specifically, our ice nucleation campaign was designed to improve understanding of ice nucleating particles (INPs) and their role in deep convective clouds across the Houston region. Summertime deep convection in southeast Texas is regularly tied to the sea-breeze front (SBF) that pushes inland from the Gulf of Mexico across the region. During TRACER, three Davis Rotating Uniform size-cut Monitors (DRUM; DRUMAir 4-DRUM) were used to collect aerosols for offline ice nucleation measurements in the Brooks laboratory at Texas A&M University. The three instruments were located at the U.S. Department of Energy Atmospheric Radiation Measurement (ARM) first Mobile Facility (AMF1) in La Porte, at the ancillary site in Guy (ANC), and onboard the newly developed Texas A&M Rapid Onsite Atmospheric Measurements Van (ROAM-V). Aerosol at the main ARM TRACER site, ARM1, is expected to arise from local urban, industrial, and ship channel sources. In contrast, the ANC is isolated and rural, and can therefore provide a continental background aerosol population. On select days when convective development was forecast to be probable, ROAM-V commuted from College Station, Texas to Galveston, sampled in the morning/mid-day on the coast, and then transited to a second inland site for the afternoon/evening. Sampling from the ROAM-V allowed us to capture aerosol and meteorological differences between maritime and continental airmasses by strategically positioning the ROAM-V near the coast in the morning in the opposite airmass from the AMF1 site.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Advanced Laboratory and Field Arrays: Evaluating Sampling Techniques for MHK Biological Monitoring (Task 6)

The overall goal of the task was to identify cost effective biological sampling techniques for MHK environmental monitoring. Protected, demersal, and pelagic fish and selected nektonic invertebrates were surveyed using capture and remote sensing techniques at the PacWave sites. The performance of capture and remote sensing monitoring techniques were evaluated and generic nekton monitoring indices were developed for MHK technologies and sites. In parallel to data collections at the PacWave site, the ability of regression models to characterize, detect, and predict change in acoustic data was evaluated using acoustic data collected in Admiralty Inlet, WA, during a biological monitoring study of the proposed SnoPud tidal turbine project site. Expected outcomes of these efforts included an evaluation of instrumentation and techniques used to monitor biological variability; identification of data streams that can be used to detect and quantify change; and sampling requirements to ensure detection of change in monitored variables.

13 HYDRO ENERGY↗

DOE OSTI2024

Growth, mortality, wood density, biomass data from BIONTE inventories in Manaus, Brazil

BIONTE (BIOmass and NuTrient Experiment) is a selective logging experiment established at the Experimental Station of Tropical Forestry (EEST, aka “ZF2”) field research station in the mid 1980s in the central Amazon (Higuchi et al. 1997, Amaral et al. 2019). Led by the National Institute for Amazon Research (INPA) in Brazil, the project aimed at assessing the effects of logging intensity on forest dynamics and enabling the creation of a model of forest management for the Central Amazon. The experiment included three levels of increasing selective logging intensity and controls, with 1 hectare sample plots (12 total) located at the center of 4 hectare treatment plots. The site’s Köppen classification is tropical rainforest (Af), characterized by high temperatures and humidity, with mean annual temperatures around 27 ℃ and mean annual precipitation around 2200 mm of rain. The vegetation has a high floristic diversity, the soils of the region are poor in nutrients, and the topography is characterized by plateaus (where BIONTE is located), and also valley bottoms and slopes. The inventory (growth and mortality) and biomass data included here covers the 1990 to 2019 period, with wood density being averaged from existing datasets. This dataset includes a data file in .csv file format and a .txt file, BIONTE_mortality-rates_headers.txt, that provides descriptions for the data file headers.

54 ENVIRONMENTAL SCIENCES↗