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At least 127 records · Page 7

Fault-tolerant resource comparison of qudit and qubit encodings for diagonal quadratic operators

Finite local Hilbert-space truncations arise naturally in quantum simulations of lattice field theories and motivate qudit encodings, but their fault-tolerant advantage over qubit encodings remains unclear. We compare the non-Clifford cost of implementing quadratic diagonal evolutions, exemplified by 𝑈 = 𝑒$^{−𝑖⁢𝑡⁢𝜙^2_𝑥}$ in a uniform field-amplitude discretization of a real scalar field, using either one logical 𝑑-level qudit or 𝑛 𝑏 = ⌈log 2⁡ 𝑑⌉ logical qubits. We analyze two standard settings: product-formula simulation and linear combination of unitaries (LCU) per block encoding, taking the resource metric to be the number of non-Clifford gates after synthesis into a discrete logical gate set. Because tight synthesis bounds for general single-qudit rotations are not known, we express the qudit constructions in terms of embedded two-level SU⁡(2) rotations and derive explicit finite-𝑑 break-even conditions for their synthesis cost; these serve as compiler targets for when qudit encodings can outperform the qubit baseline. Within the constructive models studied here, product-formula implementations would require an exponentially stronger per-primitive synthesis advantage for qudits to win asymptotically, while in the LCU setting the qubit encoding is asymptotically cheaper in 𝑑. Nevertheless, the finite-𝑑 threshold analysis identifies low-dimensional regions in which qudits can yield meaningful constant-factor savings, particularly for LCU-based implementations. As a secondary analysis of the LCU construction, we use an idealized negligible-overhead qubit-qudit code-switching model to give an absolute 𝑇-count comparison and reinterpret the savings as an allowable per-switch overhead budget.

Godwood, Samuel [Univ. of Liverpool (United Kingdo↗

Performance Degradation of Amine-Infused Fiber Sorbents for Direct Air Capture: Mechanisms and Solutions

Sorbent stability poses significant impacts on longterm performance of direct air capture (DAC) of CO 2 and levelized cost of capture (LCOC). We report the DAC performance degradation of amine-infused fiber sorbents based on poly(ethylenimine) (PEI), mesoporous SiO 2 , and cellulose acetate (CA) over CO 2 cyclic sorption cycles in a nonoxidative environment. Infrared and nuclear magnetic resonance spectra indicate that the aminolysis reactions between CA ester moieties and PEI amine sites lead to the formation of acetamides and hence lower CO 2 affinities of the sorbents. This stability issue can be remedied by hydrolysis treatment of the CA fiber sorbents before PEI impregnation or replacing CA with poly(ether sulfone). This study underscores the importance of selecting proper support or additive materials of DAC contactors that are compatible with active species of CO 2 capture.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Selective Sorbent Design: CaS Aerogel for Rapid Remediation of Aqueous Pb (II)

Heavy metals are a persistent environmental problem due to their high toxicity, even at very low concentrations (parts per billion, ppb). The removal of such diluted heavy metals is challenging because of the competition the counterions (Ca 2+ , Na + , Mg 2+ , etc.) present in natural water bodies. The design of sorbents capable of removing ions below the action limit (15 ppb for Pb 2+ ) requires a strong driving force for selective uptake and rapid removal. In this work, we report the synthesis of porous CaS aerogels (surface area = 143.6 m 2 /g) by oxidative assembly of CaS nanoparticles and describe their use in selective Pb 2+ ion remediation from water. Despite the presence of amorphous CaCO 3 (up to 50 wt %) in the gel network, the gels demonstrated a capacity of 17.1 mmol Pb/g aerogel (3543 mg/g), and this could be augmented to 22.5 mmol Pb/g aerogel (4593 mg/g) by modifying the synthesis to reduce CaCO 3 content to ca. 15 wt %. Moreover, the selectivity of CaS aerogels toward Pb 2+ ions is high, as evidenced by little-to-no change in the distribution constant (K d ∼ 10 4 ) in the presence of competing ions (1 M) such as Na + , Mg 2+ , and Ca 2+ . During remediation with low concentrations (100 ppb) of Pb 2+ with CaS aerogels, the level of Pb 2+ dropped to 5.4 ppb (below the 15 ppb EPA limit) within 1 h with a 95.4% removal efficiency. In contrast to the CO 2 supercritically dried aerogels, lower surface area ambient dried gels (xerogels) only remove 40% of the lead ions from a 100 ppb solution, saturating within 1 h. The efficiency and rapidity of selective Pb 2+ uptake using CdS aerogels arise from a combination of a strong thermodynamic driving force for cation exchange (K eq = 2.5 × 10 27 ) and chemisorption along with favorable kinetics associated with the high surface area porous architecture. These results show that formation of high surface area metal chalcogenide aerogels by oxidative assembly to form nanocrystalline architectures, as previously demonstrated for II−VI and IV−VI semiconductors, can be extended to the more highly ionic alkaline earth sulfides.

Aerogels↗

Dependence of Deep Convective Cell Properties on Meteorological and Aerosol Conditions during TRACER

Deep convective cells significantly influence Earth’s energy balance and water cycle. However, their accurate representation in numerical models remains challenging due to their small spatiotemporal scales and limited observational constraints. This study examines over ∼400 deep convective cells near Houston, observed by a dual-polarization C-band radar during the Tracking Aerosol Convection Interactions Experiment (TRACER) intensive observation period (June–September 2022). Cells are categorized by lifetime into short-lived (<40 min), intermediate-lived (40–80 min), and long-lived (80+ min) groups. Long-lived cells were broader (∼13.2 km at 2–4-km height) and deeper (∼11.4 km) than short-lived cells (∼6.4-km width, ∼7.31-km height). Using random forest (RF) modeling and correlation analyses, precipitable water vapor (PWV), 2–6-km lapse rate, 0–8-km bulk shear, and fine aerosol mass concentration (Mass_f) are identified as key predictors of cell lifetime. Higher PWV is associated with significantly longer convective cell lifetimes compared to the low-PWV group, particularly within low 2–6-km temperature lapse rate (LR_26km), moderate-to-higher 0–8-km bulk shear (BS_08km), and low-to-moderate Mass_f environments. RF analysis also identifies low-level (0–2 km) equivalent potential temperature, PWV, Mass_f, and surface latent heat flux as key predictors for cell width and height. Short-lived cells have higher aerosol number concentrations (500–1000-nm size range), linked to onshore wind conditions and marine aerosols; however, their low concentration suggests the sensitivity may reflect associated meteorological regimes rather than a direct aerosol effect. Long-lived cells have higher concentrations of organic and sulfate aerosols, while short-lived cells exhibit higher black carbon concentrations. These results highlight the intricate dependence of convective cell lifetimes and structure on environmental moisture, thermodynamics, wind shear, and aerosol characteristics.

54 ENVIRONMENTAL SCIENCES↗

Small-Molecule Models of Hydrogen-Evolving MX 2 (M = Mo, W; X = S, Se) Bulk Solids: Composition–Activity Relationships

Triangular metal chalcogenide clusters of the form [M 3 Q 7 L 3 ]An (M = Mo or W; Q = S or Se; L = i Bu 2 NCS 2 – , (CF 3 CH 2 ) 2 NCS 2 – , i Bu 2 NCSe 2 – , or i Bu 2 PS 2 – ; An = Cl – or I – ) have been investigated as molecular analogues of layered metal dichalcogenide (MX 2 ) H 2 -evolution catalysts. These clusters have been evaluated for their relative H 2 -evolving ability under a common photolysis protocol implementing [Ru(bpy) 3 ] 2+ as chromophore and Et 3 N as sacrificial electron donor. With M constant as Mo and with constant supporting ligand, clusters with an all-sulfide core enable greater H 2 -TON than clusters with an all-selenide core. A more active catalyst is produced by [Mo 3 S 7 (S 2 CN i Bu 2 ) 3 ] + I – than its W 3 analogue with the same core sulfide composition and supporting dithiocarbamate ligands. Dichalcogenocarbamate ligands provide more active catalysts than dialkyldithiophosphate ligated clusters, and within the dichalcogenocarbamate set, greater H 2 -turnovers correlate with more-electron-donating ligands (i.e., i Bu 2 NCS 2 – > (CF 3 CH 2 ) 2 NCS 2 – > i Bu 2 NCSe 2 – ). Cluster cations with Cl – as counteranion are very similar in activity H 2 -evolving levels to identical clusters with I – , ruling out any significant interfering effect by I – upon the electron transfer relay between Et 3 N and catalyst. In the aggregate, observations are consistent with a mechanism for H 2 evolution that involves reductive extrusion of H 2 from a metal hydride intermediate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

High-Quality Factor Microwave Resonators using Rhenium

Coplanar waveguide resonators are a perfect tool to evaluate the losses induced by defects and interfaces in superconducting devices. Even if niobium is the most used superconductor for resonators and qubits, its native oxide at the metal-air (MA) interface limits the device results. Tantalum has recently significantly improved qubit performances due to a thinner and less disordered oxide layer compared to Nb. To further improve the MA interface, we used rhenium, a superconducting material with 1.7 K critical temperature resistant to oxidation: it forms an oxide layer thinner than 1 nm. In this study, we will present a thorough investigation of rhenium CPW resonator measurements with internal quality factors at the single photon level exceeding 2 million. The devices have been fabricated on a sapphire substrate while the processing parameters have been varying and optimized. The measurements have been performed as a function of power and temperature to disentangle different sources of losses, such as two-level systems (TLS) and quasi-particles. A peculiar TLS temperature dependence has been measured and analyzed. In this work, we also vary the participation ratio of the devices to extract the losses introduced by the involved interfaces with higher fidelity and precision. We carried on a deep material characterization effort to link the results to the differences in the fabrication steps, and we will present material characterization measurements performed via AFM, ToF-SIMS, XPS, and TEM.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Measuring and unbiasing the BAO shift in the Ly α forest with AbacusSummit

ABSTRACT The Dark Energy Spectroscopic Instrument (DESI) places sub- per cent constraints on measurements of the Baryon Acoustic Oscillation (BAO) scaling parameters from the Ly $\alpha$ forest. However, no systematic error budget stemming from non-linearities in the three-dimensional clustering of the Ly $\alpha$ forest is included in the DESI-Ly $\alpha$ analysis. In this work, we measure the size of the shift of the BAO peak using large Ly $\alpha$ forest mocks produced on the N-body simulation suite AbacusSummit, which adopt the Fluctuating–Gunn–Peterson Approximation (FGPA). Specifically, we measure the Ly $\alpha$ autocorrelation and the Ly $\alpha$-quasar cross-correlation functions. To mitigate the noise, we adopt a linear control variates technique, reducing the error bars by a factor of up to $\sim \sqrt{50}$ on large scales. From the autocorrelation, we detect a small positive shift in radial direction of $\Delta \alpha _{\parallel }= 0.35~{{\ \rm per\ cent}}$ at the 3$\sigma$ level and virtually no shift in the transverse direction, $\alpha _\perp$. From the cross-correlation, we see a similar shift to $\Delta \alpha _\parallel$, albeit with larger error bars, and a small negative shift, $\Delta \alpha _{\perp }=\sim$0.25 per cent, at the 2$\sigma$ level. We also make a connection with the Ly $\alpha$ forest effective field theory (EFT) framework and find that the one-loop EFT power spectrum yields unbiased measurements of the BAO shift parameters in radial and transverse direction for Ly $\alpha$ auto- and the Ly $\alpha$-quasar cross-correlation measurements. When using the one-loop EFT framework, we find that we can recover the BAO parameters without a shift, which has important implications for future Ly $\alpha$ forest analyses based on EFT. This work paves the way for novel full-shape analyses of the currently observing DESI and future surveys such as the PFS, WEAVE-QSO, and 4MOST.

Hadzhiyska, Boryana↗

Solution-Processable Polymer Donor-Small Molecule Acceptor Bulk Heterojunction Organocatalysts for Enhancing CO 2 -to-CO Photoconversion

Metal-free organic semiconductors have emerged as a kind of promising star material in photocatalysis. However, their photocatalytic efficacy is impeded by the great recombination rate of the photogenerated charge carriers. Herein, we demonstrate the devising of solution-processable organic semiconductor bulk heterojunction (BHJ) systems with varying ratios by using BP3DT and PC 61 BM as the donor (D) and acceptor (A) candidates, respectively, for enhanced selective CO production from CO 2 photoreduction. The prepared BP3DT/PC 61 BM BHJs are solution-processed on both glass substrates (GS) and molecular sieves (MS) via a drop-casting technique to form an active thin film and porous photocatalysts to catalyze CO production. All BP3DT/PC 61 BM BHJs efficiently produce CO as the primary product in the existence of trace-level TEA/H 2 O (0.5 mL). Our results show that the photocatalytic efficiency depended on the D/A w% ratios and its nanoscale phase separation morphology within the BHJ, contributing to the promotion of exciton dissociation. Additionally, the BHJ undergoes an ostensible morphological transition from large-scale phase-separation to a fine mixed homogeneous nanoscale by varying the BP3DT/PC 61 BM blend ratio from 30/70 w% to 70/30 w%, which increases the interfacial area and shortens the distance of the exciton to the D/A surface, and promotes charge carrier separation, corroborated by photo-optical and photoelectrochemical experimental results. Accordingly, the resulting BP3DT/PC 61 BM BHJ@MS with a D/A ratio of 70/30 w% achieves a CO yield of 819 μmol·g cat -1 h -1 , surpassing those of pure PC 61 BM (126 μmol·g cat -1 h -1 ) and BP3DT (72 μmol·g cat -1 h -1 ) by 6.5- to 11.3-fold and also exceeding that of metal-free linear conjugated polymer-based organocatalysts reported to date. Specifically, this is the first work to develop an organic-semiconductor-based BHJ photocatalyst, which may offer a nascent way to design more efficient organocatalysts for CO 2 reduction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Metal–bicarbonate ion pairing in alkaline aqueous solutions from multilevel embedded correlated wavefunction theory and molecular dynamics

In this work, we examine ion-pairing mechanisms of bicarbonates in alkaline aqueous solutions with the divalent metal ions most abundantly present in seawater, namely, Ca 2+ and Mg 2+ . We employ a rare-event enhanced sampling approach within first-principles molecular dynamics to explore regions of phase space spanning solvent-shared to contact ion pairs. Second-order Møller–Plesset perturbation theory (MP2) corrections are subsequently applied in an embedding framework (EMB) to refine the electronic structure of stationary states and associated reaction barriers along the free-energy profiles while retaining the extended solvent effects at the density functional theory (DFT) level. Ca 2+ –HCO 3 − was previously hypothesized to exist in a solvent-shared ion pair (SSHIP) by DFT studies with an endergonic contact ion pair (CIP) formation; however, our EMB-MP2 refinement of the DFT ion-pairing pathways reveals that Ca 2+ and HCO 3 − form a virtually barrier-free CIP in alkaline solutions, with even more energetic ease than the widely studied Ca–CO 3 ion pair. We find qualitative agreement between DFT and EMB-MP2 for Mg 2+ —unlike Ca 2+ , Mg 2+ refuses to shed its strong hydration shell, thereby preferring a SSHIP state with a significant activation barrier to crossover to the CIP forms—a trait reminiscent of ion pairing in Mg–CO 3 and closely related to the kinetic limitations underlying the famous subject of the dolomite problem. Our study highlights the importance of improved electronic structure descriptions of liquids, modeled as a condensed phase of matter lacking in long-range crystalline order. It also strongly suggests that Ca 2+ –HCO 3 − CIPs are likely precursors involved in prenucleation of CaCO 3 mineral formation in seawater.

Sharma, Vidushi [Princeton Plasma Physics Laborato↗

Post-fire time series photos from five sites across the 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. 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, 2024, affecting all five sites. This dataset provides time series game camera photos, while the broader study includes continuous water quality monitoring, biogeochemical sampling of water and soils, precipitation data, and organic matter analysis. The other data types and additional metadata (include site environmental information) can be found at https://data.ess-dive.lbl.gov/datasets/doi:10.15485/3018020. Because this study is ongoing, this data package will be updated regularly to include newly collected photos. 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) file-level metadata; (2) data dictionary; (3) field metadata; (4) readme; (5) field protocol; and (6) folders of game camera photos. The game camera photos are organized by site with subfolders by month of collection. The field metadata contains a subset of the information collected that is most relevant to photo-processing. The full set of field metadata can be found at https://data.ess-dive.lbl.gov/datasets/doi:10.15485/3018020. All files are .csv, .pdf, or .jpg.

Burn severity↗

Temporal Study 2022-2024: Sample-Based Surface Water Dissolved Inorganic Carbon, Dissolved Organic Carbon, Total Nitrogen, Stable Isotopes, and Total Suspended Solids from across Multiple Watersheds in the Yakima River Basin, Washington, USA

This dataset supports a broader study examining the drivers of temporal variability in sediment respiration rates in the Yakima River Basin. The dataset provides geochemistry data generated from samples collected at bi-weekly or monthly intervals at six sites across the Yakima River Basin in Washington, USA. Sample and sensor data from previous years (2021-2022) can be found at https://data.ess-dive.lbl.gov/datasets/doi:10.15485/1898912 and https://data.ess-dive.lbl.gov/datasets/doi:10.15485/1892054, respectively. Related sensor data from 2022-2024 will be published separately. This dataset is comprised of one main data folder containing (1) file-level metadata; (2) data dictionary; (3) readme; (4) field metadata; (5) dissolved inorganic carbon (DIC) and averages; (6) dissolved organic carbon (DOC; reported as non-purgeable organic carbon; NPOC) and averages; (7) total dissolved nitrogen (TN) and averages; (8) total suspended solids (TSS); (9) stable isotopes; (10) surface water sampling protocol; (11) sensor protocol; (12) methods codes; and (13) international generic sample number (IGSN) mapping file. All files are .csv or .pdf. For details on how to navigate data packages generated by this project, see https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA/About. For data and scripts associated with "Shifts in rain-snow partitioning drive faster water transit times in the US Pacific Northwest" (Butler et al., 2026), go to https://data.ess-dive.lbl.gov/datasets/doi:10.15485/3025481

18-O↗

Microwave-Assisted Reactive CO 2 Capture with the SrCO 3 -Graphite System

This study details the initial development of a microwave heat-driven reactive CO 2 capture (RCC) process using the SrO/SrCO 3 cycle and graphitic carbon to absorb ppm-levels of CO 2 from humidified room temperature air and selectively convert it into CO. By combining first-principles density functional theory (DFT) simulations with thermogravimetric analysis (TGA) and X-ray diffraction (XRD) verification, it is demonstrated that SrO spontaneously absorbs moisture to generate Sr(OH) 2 followed by Sr(OH) 2 *1H 2 O, which then can spontaneously react with atmospheric levels of CO 2 to form SrCO 3 . The resulting SrCO 3 can then react with solid carbon at elevated temperatures to selectively produce CO and regenerate SrO. Graphitic carbon is an excellent microwave absorber that can quickly generate temperatures approaching 1000 °C and then cool to room temperature within minutes, potentially allowing for integration with intermittent electricity. It is shown that using microwaves to selectively heat a mixture of graphitic carbon and SrCO 3 produced CO with 85 ± 3% selectivity and stable performance over ten cycles. The rapid heating for release and room temperature CO 2 uptake processes appeared to prevent performance loss from particle sintering typically observed with traditional thermal systems. In conclusion, these results demonstrate a new RCC approach that adds to the growing number of potential technologies available for converting CO 2 to useful chemicals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Ecological Insights from Transferable Plant Biomass Mapping across the Arctic using High-resolution Structure-from-Motion and LiDAR Data

Warmer temperatures, permafrost thaw, and increased wildfire activity are driving rapid ecological change across the Arctic, significantly altering plant productivity and aboveground biomass (AGB). These rapid changes highlight the urgent need to improve monitoring of vegetation dynamics in the Earth’s northern ecosystems, where high spatiotemporal heterogeneity occurs at scales finer than those captured by traditional satellite observations. The growing use of Unoccupied Aerial Systems (UASs) presents an opportunity to overcome this limitation. Yet, the diversity of UAS platforms, sensors, and data collection and processing workflows presents challenges for developing standardized, generalizable approaches. To address this challenge, we compiled 672 AGB plots co-located with 183 UAS-based Structure-from-Motion (SfM) or Light Detection and Ranging (LiDAR) surveys collected across the Arctic. Here, we: (1) evaluated the generalizability of UAS-derived canopy structure derived from high-resolution SfM and LiDAR for estimating AGB, (2) assessed scaling errors and their sources in two recent satellite-based AGB products derived from Landsat and MODIS, and (3) demonstrated the use of high-resolution AGB maps to quantify biomass variation across tundra plant functional types (PFTs) and to monitor post-fire recovery. Our results show that both SfM and LiDAR accurately captured AGB and its variability across tundra PFTs using a Random Forest (RF) model (overall RMSE: 0.336 kg/m2), with mapping performance varying slightly by region and data source. Using UAS-derived AGB maps as a benchmark, we identified systematic biases in satellite-derived AGB products, largely attributable to the magnitude of AGB and structural heterogeneity within coarse-resolution pixels. Applying our model to repeat UAS surveys following a tundra fire on Seward Peninsula, we observed rapid AGB recovery in non-shrub patches, with biomass recovering to pre-fire levels within 2 years. In contrast, shrub patches recovered more slowly, with AGB gains continuing over 2–4 years through both in-patch growth and lateral expansion (via dispersal) into remaining burned areas. Overall, these findings demonstrate the generalizability of UAS-based SfM and LiDAR data for estimating tundra AGB and highlight the potential of our approach to be broadly applied to generate high-quality AGB data for ecological monitoring and model benchmarking across the Arctic.

Yang, Daryl [ORNL] (ORCID:0000000317057823)↗

Timeseries Photos of a Variably Inundated Stream: Umtanum Creek, Washington, United States

This dataset is associated with a broader study using game camera timeseries photos collected to evaluate stream variable inundation via changes in width (i.e. wet fraction). Four game cameras were deployed along Umtanum Creek (Washington, United States) to track changes in stream inundation over time. Drone imagery was collected at the same location on October 18, 2024 which was used to construct a digital elevation model (DEM) of the streambed topography. The associated paper and data can be found at https://doi.org/10.1016/j.envsoft.2025.106715 (Bao et al., 2025a)) and https://doi.org/10.15485/2589885 (Bao et al., 2025b), respectively. 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 this readme, this data package also includes a file-level metadata (FLMD) files that describes each file and a data dictionaries (DD) that describe all column/row headers and variable definitions. This dataset is comprised of (1) file-level metadata; (2) data dictionary; (3) readme; (4) field metadata; (5) field protocol; and (5) folders containing game camera photos. Game camera photos are organized into folders for each camera (CDL, CUL, CDR, CUR; see readme for information on camera naming) by the month photos were collected. All files are .csv, .jpg, or .pdf.

AI image segmentation↗

Soil nitrogen mineralization rates, nutrient stocks, stable isotopes, and water volumetric measurements across terrestrial-aquatic interfaces from three wetlands at the Tanglewood Biological Station, Alabama

This dataset supports a broader study investigating wetland hydrologic and biogeochemical responses to inundation events. Soil samples were collected across four sampling events along terrestrial-aquatic gradients at three wetland sites located within the Tanglewood Biological Station in Alabama from April 2024 to June 2025. The contents in this data package include soil in-situ nitrogen mineralization rates (measurements of net nitrification, net ammonification, and net mineralization), nutrient stocks (total carbon, total nitrogen, and organic matter), stable isotopes (carbon and nitrogen), and water volumetric measurements (water-filled pore space). Water level data related to each wetland location can be found at https://data.ess-dive.lbl.gov/view/doi:10.15485/2530253 (Kirker et al., 2024), related water geochemistry data can be found at https://data.ess-dive.lbl.gov/datasets/doi:10.15485/3001967 (Forbes et al., 2025), and related surface water sediment chemistry data can be found at https://data.ess-dive.lbl.gov/datasets/doi:10.15485/3377325 (Molina Serpas et al., 2026). In addition to this 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) file-level metadata; (2) data dictionary; (3) field metadata and international generic sample numbers (IGSNs); (4) readme; (5) the field protocol; and (6) a subfolder with sample data. The sample data subfolder contains (1) net nitrification rate, (2) net ammonification rate, (3) areal net mineralization rate, (4) percent organic matter, (5) water-filled pore space, (6) total carbon content, (7) total nitrogen content, (8) stable carbon isotope (delta carbon-13), and (9) stable nitrogen isotope (delta nitrogen-15), and (10) methods codes. All files are .csv or .pdf.

13-C↗

Surface water nitrogen and sediment potential nitrate reduction rates, nutrient stocks, and stable isotopes from nine wetlands at the Tanglewood Biological Station, Alabama

This dataset supports a broader study investigating wetland hydrologic and biogeochemical responses to inundation disturbances. Bimonthly surface water and sediment sampling events were conducted at nine wetland sites situated within the Tanglewood Biological Station in Alabama from April 2023 to February 2024. The contents included in the data package include surface water nitrogen (nitrogen oxides and ammonium) and sediment potential nitrate reduction rates (measured as potential denitrification and dissimilatory nitrate reduction to ammonium processing), nutrient stocks (total carbon, total nitrogen, and organic matter), and stable isotopes (carbon and nitrogen). Water level data related to each wetland location can be found at https://data.ess-dive.lbl.gov/view/doi:10.15485/2530253 (Kirker et al., 2024) and related water geochemistry data can be found at https://data.ess-dive.lbl.gov/datasets/doi:10.15485/3001967 (Forbes et al., 2025). 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) file-level metadata; (2) data dictionary; (3) field metadata and international generic sample numbers (IGSNs); (4) readme; (5) the field protocol; and (6) a subfolder with sample data. The sample data subfolder contains (1) sediment potential denitrification rate, (2) sediment potential dissimilatory nitrate reduction to ammonium (DNRA) rate, (3) sediment total carbon and nitrogen content, (4) sediment stable isotopes (delta nitrogen-15 and delta carbon-13), (5) sediment percent organic matter, (6) surface water nitrous oxides, (7) surface water ammonium, and (8) methods codes. All files are .csv or .pdf.

Ammonium↗

Organic Matter Concentration and Composition in November 2021 and April 2022 from 12 Streams Impacted by the 2020 Holiday Farm Fire (v2)

This dataset represents results from a field study aiming to understand storm induced transport of pyrogenic materials to streams impacted by varying degrees of burn severity. Time series samples were collected at 5 sites within the McKenzie River Watershed (Oregon, USA) whose catchment were each completely engulfed by the 2020 Holiday Farm Fire. An additional 7 sites were sampled once during the storm. The samples were collected during storm events in November 2020, January 2021, November 2021, and April 2022. Samples were characterized for benezenepolycarboxylic acids (BPCA), ultra-high resolution mass spectrometry, dissolved organic carbon and optics (absorbance and fluorescence). Fourier-transform ion cyclotron resonance mass spectrometry (FTICR) and dissolved organic carbon data from the November 2020 (referred to as “EWEB_2020”) sampling can be found in a separate data package (doi: 10.15485/1869708). NOTE: The 2020 samples were run on FTICR-MS in two unique instances. The first run can be found in the previous data package (EWEB_2020). The second run is included in this data package. These samples were run for a second time so that the data were more directly interoperable with the other samples in this data package. We have not done any investigation into the differences/similarities between these datasets and the previously ran/published data in the other data package. This data package was originally published in November 2024. It was updated in April 2025 (v2; new and modified files). See the change history section below 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 contains (1) file-level metadata; (2) data dictionary; (3) data package readme; (4) metadata; (5) methods information; (6) dissolved organic carbon (DOC, measured as non-purgeable organic carbon, NPOC) data; (7) excitation emission matrix (EEM) methods; and (8) a sub-folder with processed EEM data (9) benzene polycarboxylic acid (BPCA) concentration data; (10) Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) methods; and (11) folder of high-resolution characterization of organic matter via 12 Tesla FTICR-MS generated through the Environmental Molecular Sciences Laboratory (EMSL; https://www.pnnl.gov/environmental-molecular-sciences-laboratory). The EEMs sub-folder contains two additional folders; the Absorbance and Fluorescence folders which contain the processed EEMs absorbance and fluorescence data respectively. This package contains the following file types: csv, xml, pdf.

54 ENVIRONMENTAL SCIENCES↗

Laboratory time series moisture manipulative experiment from sediment across San Antonio, Texas: time series aerobic respiration and geochemistry

This dataset supports a broader study examining the effects of wetting and drying on hyporheic zone respiration. The dataset provides data generated from a laboratory moisture manipulation experiment. The contents include time series aerobic respiration and moisture; dissolved oxygen; sediment geochemistry data; and field metadata (including qualitative information on instream and river corridor characteristics). Samples were collected as part of the WHONDRS Allison Veach collaboration (AV1). The data package associated with the AV1 study is available at https://data.ess-dive.lbl.gov/datasets/doi:10.15485/2529428. AV1 sampling occurred across 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). This study uses subsamples from a subset of AV1 samples. The original field samples were labeled as AV1_###. Subsequent subsamples for this study were labeled as EV_###. The labels from the field samples and the EV subsamples can be mapped directly based on the digits following the prefix and underscore (i.e., EV_001 is a subsample from AV1_001). See the critical details section below for more details on sample naming. 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) readme; (5) field protocol; and a (6) a subfolder with sediment sample data from the incubation experiment. The sample data subfolder contains (1) effect size; (2) iron (II); (3) gravimetric moisture; (4) respiration rates; (5) raw dissolved oxygen values and plots; (6) specific conductance; (7) pH; (8) temperature; (9) a summary containing mean, median, and standard deviation values of each data type for each treatment (wet and dry); and (10) methods codes. All files are .csv or.pdf.

54 ENVIRONMENTAL SCIENCES↗