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Data and scripts associated with "Coupled primary production and respiration in a large river contrasts with smaller rivers and streams."

This data package is associated with the publication "Coupled primary production and respiration in a large river contrasts with smaller rivers and streams." in review at Limnology and Oceanography (Roley et al. 2023). This study focuses on understanding ecosystem metabolism for the Hanford Reach of the Columbia River in Washington state, a free-flowing stretch with a substantial discharge. Large rivers have been overlooked compared to small and medium rivers due to the challenges associated with measurements. Our study presents novel ways to address these challenges and highlights that metabolism patterns in large rivers differ from those observed in small-medium rivers and requires the application of knowledge and tools beyond those implemented for smaller rivers.This data package includes the data and R scripts for the analyses described in Roley et al. 2023. It includes dissolved oxygen and temperature data from a dissolved oxygen HOBO sensor, light data collected from the National Solar Radiation Database (https://nsrdb.nrel.gov/) and hydrologic variables estimated from the MASS-1 model (Niehus et al.; 2014). It also includes metabolism estimates (gross primary production, ecosystem respiration, and net ecosystem production) estimated via streamMetabolizer (Appling et al.; 2018). All analyses in the paper can be replicated with these data and scripts.The data package is comprised of one main data folder. The folder includes (1) file-level metadata (flmd); (2) a data dictionary (dd) for each data file; (3) data files; and (4) R scripts for metabolism estimates and data analysis. All files are .R, .csv, or .pdf.

54 ENVIRONMENTAL SCIENCES↗

Spatial Study 2022: Water Column, Sediment, and Total Ecosystem Respiration Rates across the Yakima River Basin, Washington, USA (v2)

This dataset supports a broader study examining the drivers of spatial variability in sediment respiration rates in the Yakima River Basin and is associated with the manuscript “Sediment-associated processes account for most of the spatial variation in ecosystem respiration in the Yakima River basin” submitted to Nature Communications Earth & Environment (Garayburu-Caruso et al., in review). The dataset provides ecosystem metabolism estimates generated from streamMetabolizer (Appling et al.; 2018) using data collected during the same five-week period at 48 sites within multiple rivers throughout the Yakima River Basin in Washington, USA. Additionally, it includes the scripts used for the analysis and producing the figures in the manuscript. The contents include streamMetabolizer inputs and outputs and additional relevant data needed to generate the main manuscript results. The data included are: total ecosystem respiration, water respiration, calculated sediment-associated respiration, gross primary production outputs from the river corridor model for the Yakima River Basin, median grain size (d50), depth, dissolved oxygen, water temperature, pressure, and annual oxygen consumption. The associated GitHub repository can be found at https://github.com/river-corridors-sfa/SSS_metabolism. Samples collected during this study were labeled as “Second Spatial Study” or “SSS.” Raw time series sensor data, total suspended solids, and depth data from SSS were published at https://data.ess-dive.lbl.gov/datasets/doi:10.15485/1969566. A subset of data from the SSS samples were published in the contiguous United States (CONUS)-Scale Model-Sample (CM) study data package available at https://data.ess-dive.lbl.gov/view/doi:10.15485/1923689 that presents data from across the CONUS. They include dissolved organic carbon (DOC, measured as non-purgeable organic carbon, NPOC), total nitrogen (TN), grain size, aerobic sediment respiration, dissolved oxygen (DO), and temperature. Parent IDs and Site IDs are consistent between the SSS and CM data packages, and they can be mapped directly so data across packages can be used together. Field metadata for the samples in this da This dataset is comprised of one main data folder with four subfolders. The main data folder contains of (1) file-level metadata; (2) data dictionary; (3) total/water column/sediment respiration; (4) gross primary production (GPP); (5) median grain size (d50); and (6) annual oxygen consumption. The “Figures” subfolder contains the figures used in the paper and all intermediate files (including geospatial files). The “Published_Data” contains a readme directing the user to download the public data to reproduce analyses and figures. The “Scripts” folder contains all scripts used in the analyses that were not part of running StreamMetabolizer. Lastly, the “Stream_Metabolizer” folder contains all files associated with running StreamMetabolizer including (1) model input files, (2) model output files, (3) processing scripts, (4) histogram plots of the outputs, and (5) an R project. All files are .csv, .pdf, .R, .Rmd, .Rproj, .html, .png, .txt, .qgz, .cpg, .dbf, .prj, .shp, .shp.ea.iso.xml, .shp.iso.xml, .shx, .sbn. ta package can be found at either link. We acknowledge the Yakama Nation as owners and caretakers of the lands where we collected these data. We thank the Confederated Tribes and Bands of the Yakama Nation Tribal Council and Yakama Nation Fisheries for working with us to facilitate sample collection and optimization of data usage according to their values and worldview.

54 ENVIRONMENTAL SCIENCES↗

Drivers of Natural Variation in Water-Use Efficiency Under Fluctuating Light Are Promising Targets for Improvement in Sorghum

Improving leaf intrinsic water-use efficiency ( iWUE ), the ratio of photosynthetic CO 2 assimilation to stomatal conductance, could decrease crop freshwater consumption. iWUE has primarily been studied under steady-state light, but light in crop stands rapidly fluctuates. Leaf responses to these fluctuations substantially affect overall plant performance. Notably, photosynthesis responds faster than stomata to decreases in light intensity: this desynchronization results in substantial loss of iWUE . Traits that could improve iWUE under fluctuating light, such as faster stomatal movement to better synchronize stomata with photosynthesis, show significant natural diversity in C 3 species. However, C 4 crops have been less closely investigated. Additionally, while modification of photosynthetic or stomatal traits independent of one another will theoretically have a proportionate effect on iWUE , in reality these traits are inter-dependent. It is unclear how interactions between photosynthesis and stomata affect natural diversity in iWUE , and whether some traits are more tractable drivers to improve iWUE . Here, measurements of photosynthesis, stomatal conductance and iWUE under steady-state and fluctuating light, along with stomatal patterning, were obtained in 18 field-grown accessions of the C 4 crop sorghum. These traits showed significant natural diversity but were highly correlated, with important implications for improvement of iWUE . Some features, such as gradual responses of photosynthesis to decreases in light, appeared promising for improvement of iWUE . Other traits showed tradeoffs that negated benefits to iWUE , e.g., accessions with faster stomatal responses to decreases in light, expected to benefit iWUE , also displayed more abrupt losses in photosynthesis, resulting in overall lower iWUE . Genetic engineering might be needed to break these natural tradeoffs and achieve optimal trait combinations, e.g., leaves with fewer, smaller stomata, more sensitive to changes in photosynthesis. Traits describing iWUE at steady-state, and the change in iWUE following decreases in light, were important contributors to overall iWUE under fluctuating light.

54 ENVIRONMENTAL SCIENCES↗

Real-Time Partitioning of Diurnal Stem CO 2 Efflux into Local Stem Respiration and Xylem Transport Processes

The apparent respiratory quotient (ARQ) of tree stems, defined as the ratio of net stem CO 2 efflux (E S_CO2 ) to net stem O 2 influx (E S_O2 ), offers insights into the balance between local respiratory CO 2 production and CO 2 transported via the xylem. Traditional static chamber methods for measuring ARQ can introduce artifacts and obscure natural diurnal variations. Here, we employed an open flow-through stem chamber with ambient air coupled with cavity ring-down spectrometry, which uses the molecular properties of CO 2 and O 2 molecules to continuously measure E S_CO2 , E S_O2 , and ARQ, at the base of a California cherry tree (Prunus ilicifolia) during the 2024 growing season. Measurements across three stem chambers over 3–11-day periods revealed strong correlations between E S_CO2 and E S_O2 and mean ARQ values ranging from 1.3 to 2.9, far exceeding previous reports. Two distinct diurnal ARQ patterns were observed: daytime suppression with nighttime recovery, and a morning peak followed by gradual decline. Partitioning E S_CO2 into local respiration and xylem-transported CO 2 indicated that the latter can dominate when ARQ exceeds 2.0. Furthermore, transported CO 2 exhibited a higher temperature sensitivity than local respiration, with both processes showing declining temperature sensitivity above 20 °C. These findings underscore the need to differentiate stem CO 2 flux components to improve our understanding of whole-tree carbon cycling.

59 BASIC BIOLOGICAL SCIENCES↗

The Dynamic Assimilation Technique measures photosynthetic CO2 response curves with similar fidelity as steady-state approaches in half the time

The net CO2 assimilation (A) response to intercellular CO2 concentration (Ci) is a fundamental measurement in photosynthesis and plant physiology research. The conventional A/Ci protocols rely on steady-state measurements and take 15-40 minute per measurement, limiting data resolution or biological replication. Additionally, there are several CO2 protocols employed across the literature, without clear consensus as to the optimal protocol or systematic biases in their estimations. We compared the non-steady state Dynamic Assimilation Technique (DAT) protocol and the three most used CO2 protocols in steady-state measurements, and tested whether different CO2 protocols lead to systematic differences in estimations of the biochemical limitations to photosynthesis.

A/Ci response↗

Optical quantum memory for noble-gas spins based on spin-exchange collisions

Optical quantum memories, which store and preserve the quantum state of photons, rely on a coherent mapping of the photonic state onto matter states that are optically accessible. Here we outline and characterize schemes to map the state of photons onto long-lived but optically inaccessible collective states of noble-gas spins. The mapping employs coherent spin-exchange interaction arising from random collisions with alkali vapor. We propose efficient storage strategies in two operating regimes and analyze their performance for several proposed experimental configurations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

System for fast draining of an airfan heat exchanger and methods of using the same

A system for draining an airfan heat exchanger includes an airfan heat exchanger including a housing, a pressurized gas source fluidly coupled to the airfan heat exchanger and configured to hold a purging gas at a predetermined pressure, and a controller configured to control delivery of the purging gas to the airfan heat exchanger. The pressurized gas source is configured to provide a flow of the purging gas to the airfan heat exchanger and thereby drain water held in the airfan heat exchanger. The purging gas to the airfan will cause the airfan to drain quickly avoiding potential damage to the airfan from freezing of the water during cold weather.

Jahnke, Fred C.↗

Experimental and computational study of the microporous layer and hydrophobic treatment in the gas diffusion layer of a proton exchange membrane fuel cell

Enabling fuel cell operation at high current density is critical for developing competitive alternative power system to replace internal combustion engine. However, liquid water management continues to be a challenge for high humidity or high current density operation. Water condensation in the porous media hinders efficient oxygen transport to the catalyst layer, which in turns, reduces fuel cell performance. To improve water management capability, the gas diffusion layer is often impregnated with Polytetrafluoroethylene (PTFE) and coated with a thin microporous layer, which have shown to improve fuel cell performance, especially under wet conditions. However, the fundamental mechanism that drives the performance enhancement is still not well understood. In this work, the effects of PTFE impregnation and MPL were studied using both experimental and computational techniques. Both limiting current and polarization tests under dry and wet operating condition are conducted to study the oxygen transport resistance and fuel cell performance. In addition, a 2-D, two-phase, multi-physics PEMFC model is developed to simulate performance and gain a fundamental understanding of local water saturation and oxygen concentration. The combined results show that 5 wt% PTFE impregnation with MPL significantly enhances liquid water management, which enables higher current density operation of a fuel cell.

25 ENERGY STORAGE↗

Design and Optimization of a Gas-Cooled, Airfoil Fin Microchannel Heat Exchanger

High-performance microchannel heat exchangers are needed to supply heat for power conversion for nuclear microreactors. An airfoil fin microchannel design, constructed of Alloy 617 with helium as the working fluid, was analyzed and optimized using a design of experiments with artificial intelligence and machine learning techniques. The use of airfoil fins offers the potential to reduce pressure drop across the heat exchanger, as compared to other types of channel configurations. A framework for topology optimization of airfoil fin PCHEs has been developed that can be readily extended to different fin sizes and shapes, as well as different inlet and operating conditions, materials of construction, and working fluids. An optimization procedure was developed that employs computational fluid dynamics for a set of design points identified using Latin hypercube sampling. STAR-CCM+ was used to analyze a simplified two-channel configuration where five parameters were varied – inlet angle, fin scale, extent of staggering, transverse and longitudinal pitches. Two methods were compared for generating surrogate models – a 5D polynomial and a regression neural network. A response surface approximation was created from the surrogate models and input to a genetic algorithm. The genetic algorithm identified a set of optimal points on the Pareto front. The optimal geometry was found across six channel Reynolds numbers ranging from 1000 to 5000 to analyze how varying inlet conditions affects the optimal design. A set of optimal designs that maximizes heat transfer and minimizes pressure drop was identified, and a thermal stress analysis was performed on the optimal design. This work has developed a digital framework for the expedient topology design and evaluation of PCHE designs for gas-cooled microreactor applications. Correlations for the Nusselt number and Darcy friction factor were developed that can be useful for thermal hydraulic analyses using system codes. A thermal stress analysis was conducted and a brief discussion of the status of code cases of PCHEs for nuclear applications is given. Testing and thermomechanical modeling is needed to facilitate future code compliance of PCHEs for high pressure and high temperature applications.

42 ENGINEERING↗

Mineralogical and isotopic constraints on early, high-temperature events and reservoirs recorded in the interior of a Type B Ca-Al-rich inclusion from the reduced CV3 chondrite Vigarano

A coordinated mineralogical and oxygen and Al-Mg isotopic study of a Type B Ca-Al-rich inclusion (CAI) from the reduced CV3 chondrite Vigarano was carried out using electron microprobe analysis, transmission electron microscopy, and secondary ion mass spectrometry. This CAI, a once molten igneous object, shows heterogeneous oxygen isotopic compositions among its constituent mineral phases. Spinel is uniformly 16 O-rich with Δ 17 O ≤ −23 ‰. The Δ 17 O values of Al,Ti-diopside in the CAI core range from −11 ‰ to −18 ‰, which are positively correlated with its TiO 2 contents, whereas diopside in the Wark–Lovering (WL) rim is 16 O-rich with Δ 17 O = −23 ‰. Melilite in the CAI mantle shows Δ 17 O values ≤ −10 ‰ only when Åk <15 but becomes more 16 O-poor (Δ 17 O = −3 ‰ to −9 ‰) when Åk >15 . These correlated chemical and oxygen isotopic variations were likely established during crystallization of melilite and Al,Ti-diopside from a partial melt, while spinel preserves the original 16 O-rich composition of the CAI precursor. We infer that a partial melt was isotopically evolving from 16 O-rich to 16 O-poor during melilite crystallization, then back to 16 O-rich during Al,Ti-diopside crystallization via exchange with different gas reservoirs of 16 O-poor and 16 O-rich compositions during heating event(s). Our Al-Mg isotopic measurements of the CAI core and mantle define a single isochron with an inferred initial 26 Al/ 27 Al ratio of (4.93 ± 0.18) × 10 −5 , indistinguishable from that of the WL rim. This indicates that multiple high-temperature events and oxygen isotope exchange with isotopically distinct gas reservoirs occurred rapidly during the CAI formation.

Al-Mg isotopic systematic↗

Molecular structure and catalytic promotional effect of Mn on supported Na 2 WO 4 /SiO 2 catalysts for oxidative coupling of methane (OCM) reaction

The structure and promotional effect of Mn in supported Mn-Na 2 WO 4 /SiO 2 catalysts for the oxidative coupling of methane (OCM) reaction has been debated for a longtime in the literature. In the current investigation, with the aid of multiple in-situ characterization studies, we show that the freshly calcined supported 1.2Mn-5Na 2 WO 4 /SiO 2 catalyst possesses crystalline Na 2 WO 4 , Mn 2 O 3 and SiO 2 (cristobalite phase) along with surface MnO x and Na-WO x sites at low temperature and oxidizing environments. Under the OCM reaction environment (T>800°C), the crystalline Na 2 WO 4 phase melts and Mn 2 O 3 phase reduces. In contrast, the surface MnO x and Na-WO x sites exhibit excellent thermal and chemical stability. Exposure of the 1.2Mn-5Na 2 WO 4 /SiO 2 catalyst to the OCM reaction environment redisperses the molten Na 2 WO 4 phase on the SiO 2 support to form new surface WO x sites. Interestingly, the stable MnO x species interacts with both molten Na 2 WO 4 phase and surface Na-WO x sites during OCM reaction. Controlled transient kinetic experiments in TAP and detailed steady state OCM fixed-bed reaction studies reveal the role and promotional effect of Mn in the 1.2Mn-5Na 2 WO 4 /SiO 2 catalyst. The W-oxides (both molten Na 2 WO 4 and surface Na-WO x sites) are the active sites for the catalytic OCM reaction and the MnO x species only function as promoters. The promotion of MnO x strongly depends on the gas phase O 2 partial pressure and the MnO x species act as mediators for oxygen exchange between the gas phase molecular O 2 and catalyst lattice oxygen. In conclusion, the temperature dependent MnO x promotion reveals that the MnO x species selectively promote the molten Na 2 WO 4 phase at lower reaction temperature and the surface Na-WO x sites at higher temperature.

36 MATERIALS SCIENCE↗

Process for delivering liquid H 2 from an active magnetic regenerative refrigerator H 2 liquefier to a liquid H 2 vehicle dispenser

A process that includes pre-cooling a H 2 gas feedstock with a compressed liquid natural gas via a heat exchanger, introducing the pre-cooled H 2 gas feedstock into an active magnetic regenerative refrigerator H 2 liquefier module, and delivering liquid H 2 from the active magnetic regenerative refrigerator H 2 liquefier module to a liquid H 2 vehicle dispenser.

Holladay, Jamie D.↗

Operation, maintenance, and installation instructions for HLW thermal catalytic oxidizer/reducer (TCO)

The HLW TCO Units are a combination of four rectangular vessels; the Recuperative Heat Exchanger, Electric Heater, Selective Catalytic Oxidizer (SCO), and the Selective Catalytic Reducer (SCR). Each housing is simply a closed rectangular box with formed angle stiffeners welded to the outside perimeter. The housings are connected with process piping and sit on a skid. There is an external frame to support all major process piping and the Electric Heater. The process piping consists of a 14" inlet which enters the heat exchanger. Then the off-gas flows through 18" cross over piping which leads to the heater. Once the off-gas is heated, another section of 18" process piping leads the off-gas through the SCO and SCR. The off-gas then flows through the heat exchanger before exiting through 16" process piping which leads to the customer's piping. The other equipment associated with the HLW TCO is the Ammonia Dilution Skid. The dilution skid controls the ammonia injection into the off-gas. The dilution skid supports two process lines, a 2" line and a 1" line which carries process air and anhydrous ammonia respectively. Ammonia injection into the off-gas is required prior to entering the SCR to ensure the NOx reduction occurs through the SCR catalyst bank.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

A careful examination of closure models in Euler–Lagrange Simulations of compressible multiphase flow in a planar shock particle curtain problem

In this work we present a comprehensive investigation of state-of-the-art closure models employed to represent interphase momentum, thermal, and work exchange between the gas and particulate phases for Euler–Lagrange (EL) simulations in shock-driven flows. A complete list of closures for the force, torque, heat transfer, and work exchange models is provided. In particular, the present work includes a stochastic closure for the particle-to-particle variation in the quasi-steady force and a deterministic closure for particle-to-particle variation in the added mass force in an EL framework. These variations arise due to the presence of neighboring particles and particle–particle interactions. To investigate the importance of each closure term, we carry out fully three-dimensional simulations for a planar shock propagating over a random bed of inert particles. The primary goal is to evaluate the role of each closure term on the gas dynamic features (such as transmitted and reflected shock locations) and particle curtain features (such as upstream and downstream curtain locations). To this end, thirteen cases are considered, with each case progressively including a closure model with the goal to identify and quantify its contribution to the simulated dynamics. We show that the volume fraction dependence of the mean force models plays an important role in generating wave-like instabilities that lead to concentration bands. In addition, fluctuations in quasi-steady and added mass forces primarily decrease the internal instabilities that tend to enhance local volume fraction variations. Particle rotation is primarily due to inter-particle collisions, is generally weak, and does not play an important role in the translational dynamics for the present configuration. Inter-phase heat transfer has a strong effect on gas phase temperature, slows down the transmitted and reflected shocks, and decreases the width of the curtain. Furthermore, the absence of a work-coupling model fails to conserve the total energy, greatly under-predicts the gas temperature which in turn affects the particle dynamics.

Compressible flow↗

Computational Investigation of Fuel Dispersal Phenomena during Large-Break Loss of Coolant Accident in Light-Water Reactors

In the event of cladding rupture, which could occur in light water reactor fuel assemblies during a loss-of-coolant accident (LOCA), fuel particles, along with fission gases, can be expelled into the reactor core from the fractured fuel rod. This expulsion of fragmented fuel particles, referred as fuel dispersal, is the subject of investigation to evaluate the safety implications of increasing fuel burnup in light water reactors, with a specific focus on fuel fragmentation, relocation, and dispersal. Particle trajectories and the resulting mass distribution of the settled particles within the reactor pressure vessel can pose a long-term cooling challenge for the reactor core. The fuel dispersal phenomenon is significantly influenced by the ejection characteristics of the fuel fragments, as well as the size and shape of the cladding rupture and fuel rod depressurization history during LOCA transients. In this study, the transport of fuel particles within a scaled 5 × 5 lattice of a pressurized water reactor rod bundle geometry is modeled through a two-fluid Eulerian framework that treats the gas and solid phases as interpenetrating continua. The required boundary conditions are evaluated from the fuel performance code BISON in a postulated large-break LOCA scenario. The modeling framework considers solid fuel particles as granular matter, interacting with the gaseous dry steam phase and fission gases through the governing interfacial momentum and energy exchange between the gas and solid phases. The simulation results provide the volume fraction of the solids settled on the bottom surface of the fuel bundle, quantifying the deposition within the bundle geometry.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Real-Time Detection of Hydrogen and Ammonia Isotopologues for Impurity Removal and Recovery of Tritium

To accommodate gas measurements for impurity removal and recovery of tritium, a silver-coated optical or waveguide is employed for collecting Raman scattered signals to determine relative hydrogen and ammonia isotopologue populations in real time. The data and results presented here demonstrate an analytical methodology for the analysis of four ammonia and three hydrogen isotopologues in a hydrogen–deuterium exchange reaction by gas phase Raman spectroscopy. Standard chemometric modeling techniques effectively unravel the signatures of the isotopologues involved observed here; however, a sophisticated quantum chemical approach supports the spectral assignments. An interpretation of the data presented here can emphasize the practicality and reliability of the gaseous monitoring system in complex chemical environments for the hydrogen fuel economy as well as the more distant energy source from a facility that handles tritium. There are still considerable concerns about the measurement of tritium in isotope separation and radiological impurities from gas processing. A common impurity in gas processing is ammonia, which can form readily in the presence of nitrogen and tritium. Substituted ammonia (NQ 3 ), where Q = H, D, or T, is traditionally removed through getters or diffusers along with other non-hydrogen contaminants. A preferable analytical approach is noninvasive and can be deployed for real-time process evaluation in radiological environments.

Ammonia↗

A scanning quantum cryogenic atom microscope at 6 K

The Scanning Quantum Cryogenic Atom Microscope (SQCRAMscope) is a quantum sensor in which a quasi-1D quantum gas images electromagnetic fields emitted from a nearby sample. We report improvements to the microscope. Cryogen usage is reduced by replacing the liquid cryostat with a closed-cycle system and modified cold finger, and cryogenic cooling is enhanced by adding a radiation shield. The minimum accessible sample temperature is reduced from 35~K to 5.7~K while maintaining low sample vibrations. A new sample mount is easier to exchange, and quantum gas preparation is streamlined.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗