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At least 775 records · Page 43

Spatial Study 2021: Sample-Based Surface Water Chemistry and Organic Matter Characterization across Watersheds in the Yakima River Basin, Washington, USA (v3)

This dataset supports a broader study examining the drivers of spatial variability in sediment respiration rates in the Yakima River Basin. The dataset provides geochemistry and organic matter characterization data generated from samples collected during the same two-week period at 47 sites within multiple rivers throughout the Yakima River Basin in Washington, USA. Related sensor data are published at https://data.ess-dive.lbl.gov/datasets/doi:10.15485/1892054. This data package was originally published September 2022. It was updated May 2023 (modified files) and November 2024 (new and modified files). See the change history section in the readme for more details. This dataset is comprised of one main data folder containing (1) file-level metadata; (2) data dictionary; (3) field metadata; (4) dissolved inorganic carbon (DIC), dissolved organic carbon (DOC; reported as non-purgeable organic carbon; NPOC), total nitrogen (TN), total suspended solids (TSS), ions, and benzene polycarboxylic acid (BPCA) concentration and stable isotope data; (5) averaged values from water chemistry data; (6) surface water sampling protocol; (7) sensor protocol (8) readme; (9) methods codes; (10) international generic-sample number (IGSN) mapping file; and (11) folder of high resolution characterization of organic matter via 12 Tesla Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) through the Environmental Molecular Sciences Laboratory (EMSL; https://www.pnnl.gov/environmental-molecular-sciences-laboratory). This folder contains two subfolders, one containing the .xml data files and the other containing instructions for using Formultitude (https://github.com/PNNL-Comp-Mass-Spec/Formultitude) and an R script to process the data based on the user's specific needs. All files are .csv, .pdf, .R, .ref, or .xml. We thank the United States Forest Service, Washington Department of Natural Resources, Washington Department of Fish and Wildlife, Washington State Parks, Confederated Tribes and Bands of the Yakama Nation, and Cowiche Canyon Conservancy for access to field locations where these samples were collected. We also thank the Yakama Nation Tribal Council and Yakama Nation Fisheries for working with us to facilitate sample collection and optimization of data usage according to their values and worldview.

54 ENVIRONMENTAL SCIENCES↗

Temporal Study 2021-2022: Sample-Based Surface Water Chemistry and Organic Matter Characterization across Watersheds in the Yakima River Basin, Washington, USA (v3)

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 and organic matter characterization data generated from samples collected at weekly or bi-weekly intervals at six sites across the Yakima River Basin in Washington, USA. Related sensor data will be published separately and can be used to link sediment respiration rates to biogeochemical processing rates. The data package was originally published in November 2022. It was updated in November 2023 (v2; modified files) and April 2025 (new and modified files). See the change history section in readme for more details. For details on how to navigate data packages generated by this project, see https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA/About. This dataset is comprised of one main data folder containing (1) file-level metadata; (2) data dictionary; (3) field metadata; (4) dissolved inorganic carbon (DIC), dissolved organic carbon (DOC; reported as non-purgeable organic carbon; NPOC), total nitrogen (TN), total suspended solids (TSS), and ions; (5) averaged values from water chemistry data; (6) surface water sampling protocol; (7) sensor protocol; (8) readme; (9) methods codes; (10) international generic sample number (IGSN) mapping file; and (11) folder of high resolution characterization of organic via 12 Tesla Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) through the Environmental Molecular Sciences Laboratory (EMSL; https://www.pnnl.gov/environmental-molecular-sciences-laboratory). This folder contains two subfolders, one containing the .xml data files and the other containing instructions for using Formularity (https://omics.pnl.gov/software/formularity) and an R script to process the data based on the user's specific needs. All files are .csv, .pdf, .R, .ref, or .xml. We acknowledge the Yakama Nation as owners and caretakers of the lands where we collected our 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↗

On the surface-to-bulk mode conversion of Rayleigh waves.

Surface-to-bulk wave conversion phenomena occurring at a discontinuity characterized by a surface contour deformation are shown to be usable as a means for tapping Rayleigh waves in a nonpiezoelectric solid. A boundary perturbation technique is used in the treatment of the mode conversion problem. A systematic procedure is presented for calculating not only the first-order scattered waves, which include the reflected surface wave and the converted bulk wave, but also the higher order terms.

Chang, C.-P.↗

Probabilistic Thermal Analysis During Mars Reconnaissance Orbiter Aerobraking

A method for performing a probabilistic thermal analysis during aerobraking has been developed. The analysis is performed on the Mars Reconnaissance Orbiter solar array during aerobraking. The methodology makes use of a response surface model derived from a more complex finite element thermal model of the solar array. The response surface is a quadratic equation which calculates the peak temperature for a given orbit drag pass at a specific location on the solar panel. Five different response surface equations are used, one of which predicts the overall maximum solar panel temperature, and the remaining four predict the temperatures of the solar panel thermal sensors. The variables used to define the response surface can be characterized as either environmental, material property, or modeling variables. Response surface variables are statistically varied in a Monte Carlo simulation. The Monte Carlo simulation produces mean temperatures and 3 sigma bounds as well as the probability of exceeding the designated flight allowable temperature for a given orbit. Response surface temperature predictions are compared with the Mars Reconnaissance Orbiter flight temperature data.

Dec, John A.↗

Pickup Ion Mass Spectrometry for Surface Bounded Exospheres and Composition Mapping of Lunar and Planetary Surfaces

Many of the small to medium sized objects in the solar system can be characterized as having surface bounded exospheres, or atmospheres so tenuous that scale lengths for inter-particle collisions are much larger than the dimensions of the objects. The atmospheres of these objects are the product of their surfaces, both the surface composition and the interactions that occur on them and also their interiors when gases escape from there. Thus by studying surface bounded exospheres it is possible to develop insight into the composition and processes that are taking place on the surface and interiors of these objects. The Moon and Mercury are two examples of planetary bodies with surface bounded exospheres that have been studied through spectroscopic observations of sodium, potassium, and, on the moon, mass spectrometric measurements of lunar gases such as argon and helium.

Keller, J. W.↗

Materials characterization study of conductive flexible second surface mirrors

The status of prequalification and qualification work on conductive flexible second surface mirrors is described. The basic material is FEP Teflon witn either aluminium or silver vacuum deposited reflectors. The top layer has been made conductive by deposition of layer of a indium oxide. The results of a prequalification program comprised of decontamination, humidity, thermal cycling, thermal shock and vibration tests are presented. Thermo-optical and electrical properties. The results of a prequalification program comprised of decontamination, humidity, thermal cycling, thermal shock and vibration tests are presented. Thermo-optical and electrical properties, the electrostatic behavior of the materials under simulated substorm environment and electrical conductivity at low temperatures are characterized. The effects of simulated ultra violet and particles irradiation on electrical and thermo-optical properties of the materials are also presented.

Levadou, F.↗

Precise Identification and Characterization of Catalytically Active Sites on the Surface of γ‐Alumina**

Abstract γ‐alumina is one of the oldest and most important commercial catalytic materials with high surface area and stability. These attributes enabled its use as the first commercial large‐scale heterogeneous catalyst for ethanol dehydration. Despite progress in materials characterization the nature of the specific sites on the surface of γ‐alumina that are responsible for its unique catalytic properties has remained obscure and controversial. By using combined infrared spectroscopy, electron microscopy and solid‐state nuclear magnetic resonance measurements we identify the octahedral, amphoteric (O) 5 Al(VI)‐OH sites on the (100) segments of massively restructured (110) facets on typical rhombus‐platelet γ‐alumina as well as the (100) segments of irrational surfaces (invariably always present in all γ‐alumina samples) responsible for its unique catalytic activity. Such (O) 5 Al(VI)‐OH sites are also present on the macroscopically defined (100) facets of γ‐alumina with elongated/rod‐like geometry. The mechanism by which these sites lose ‐OH groups upon thermal dehydroxylation resulting in coordinatively unsaturated penta‐coordinate Al +3 O 5 sites is clarified. These coordinatively unsaturated penta‐coordinate Al sites produce well‐defined thermally stable Al‐carbonyl complexes. Our findings contribute to the understanding of the nature of coordinatively unsaturated Al sites on the surface of γ‐alumina and their role as catalytically active sites.

Khivantsev, Konstantin↗

Climatology and surface impacts of atmospheric rivers on West Antarctica

Abstract. Atmospheric rivers (ARs) transport large amounts of moisture from the mid- to high-latitudes and they are a primary driver of the most extreme snowfall events, along with surface melting, in Antarctica. In this study, we characterize the climatology and surface impacts of ARs on West Antarctica, focusing on the Amundsen Sea Embayment and Marie Byrd Land. First, we develop a climatology of ARs in this region, using an Antarctic-specific AR detection tool combined with the Modern-Era Retrospective analysis for Research and Applications, version 2 (MERRA-2) and the European Centre for Medium-Range Weather Forecasts (ECMWF) Reanalysis v5 (ERA5) atmospheric reanalyses. We find that while ARs are infrequent (occurring 3 % of the time), they cause intense precipitation in short periods of time and account for 11 % of the annual surface accumulation. They are driven by the coupling of a blocking high over the Antarctic Peninsula with a low-pressure system known as the Amundsen Sea Low. Next, we use observations from automatic weather stations on Thwaites Eastern Ice Shelf with the firn model SNOWPACK and interferometric reflectometry (IR) to examine a case study of three ARs that made landfall in rapid succession from 2 to 8 February 2020, known as an AR family event. While accumulation dominates the surface impacts of the event on Thwaites Eastern Ice Shelf (> 100 kg m−2 or millimeters water equivalent), we find small amounts of surface melt as well (< 5 kg m−2). The results presented here enable us to quantify the past impacts of ARs on West Antarctica's surface mass balance (SMB) and characterize their interannual variability and trends, enabling a better assessment of future AR-driven changes in the SMB.

54 ENVIRONMENTAL SCIENCES↗

Precise Identification and Characterization of Catalytically Active Sites on the Surface of γ-Alumina

γ-alumina is one of the oldest and most important commercial catalytic materials with high surface area and stability. These attributes enabled its use as the first commercial large-scale heterogeneous catalyst for ethanol dehydration. Despite progress in materials characterization the nature of the specific sites on the surface of γ-alumina that are responsible for its unique catalytic properties has remained obscure and controversial. By using combined infrared spectroscopy, electron microscopy and solid-state nuclear magnetic resonance measurements we identify the octahedral, amphoteric (O) 5 Al(VI)-OH sites on the (100) segments of massively restructured (110) facets on typical rhombus-platelet γ-alumina as well as the (100) segments of irrational surfaces (invariably always present in all γ-alumina samples) responsible for its unique catalytic activity. Such (O) 5 Al(VI)-OH sites are also present on the macroscopically defined (100) facets of γ-alumina with elongated/rod-like geometry. The mechanism by which these sites lose -OH groups upon thermal dehydroxylation resulting in coordinatively unsaturated penta-coordinate Al +3 O 5 sites is clarified. These coordinatively unsaturated penta-coordinate Al sites produce well-defined thermally stable Al-carbonyl complexes. Overall, our findings contribute to the understanding of the nature of coordinatively unsaturated Al sites on the surface of γ-alumina and their role as catalytically active sites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Friction and wear of metals in contact with pyrolytic graphite

Sliding friction experiments were conducted with gold, iron, and tantalum single crystals sliding on prismatic and basal orientations of pyrolytic graphite in various environments, including vacuum, oxygen, water vapor, nitrogen, and hydrogen bromide. Surfaces were examined in the clean state and with various adsorbates present on the graphite surfaces. Auger and LEED spectroscopy, SEM, and EDXA were used to characterize the graphite surfaces. Results indicate that the prismatic and basal orientations do not contain nor do they chemisorb oxygen, water vapor, acetylene, or hydrogen bromide. All three metals exhibited higher friction on the prismatic than on the basal orientation and these metals transferred to the atomically clean prismatic orientation of pyrolytic graphite. No metal transfer to the graphite was observed in the presence of adsorbates at 760 torr. Ion bombardment of the graphite surface with nitrogen ions resulted in the adherence of nitrogen to the surface.

Buckley, D. H.↗

The Impact of Model and Rainfall Forcing Errors on Characterizing Soil Moisture Uncertainty in Land Surface Modeling

The contribution of rainfall forcing errors relative to model (structural and parameter) uncertainty in the prediction of soil moisture is investigated by integrating the NASA Catchment Land Surface Model (CLSM), forced with hydro-meteorological data, in the Oklahoma region. Rainfall-forcing uncertainty is introduced using a stochastic error model that generates ensemble rainfall fields from satellite rainfall products. The ensemble satellite rain fields are propagated through CLSM to produce soil moisture ensembles. Errors in CLSM are modeled with two different approaches: either by perturbing model parameters (representing model parameter uncertainty) or by adding randomly generated noise (representing model structure and parameter uncertainty) to the model prognostic variables. Our findings highlight that the method currently used in the NASA GEOS-5 Land Data Assimilation System to perturb CLSM variables poorly describes the uncertainty in the predicted soil moisture, even when combined with rainfall model perturbations. On the other hand, by adding model parameter perturbations to rainfall forcing perturbations, a better characterization of uncertainty in soil moisture simulations is observed. Specifically, an analysis of the rank histograms shows that the most consistent ensemble of soil moisture is obtained by combining rainfall and model parameter perturbations. When rainfall forcing and model prognostic perturbations are added, the rank histogram shows a U-shape at the domain average scale, which corresponds to a lack of variability in the forecast ensemble. The more accurate estimation of the soil moisture prediction uncertainty obtained by combining rainfall and parameter perturbations is encouraging for the application of this approach in ensemble data assimilation systems.

Maggioni, V.↗

Facet-dependent growth and dissolution of hematite resulting from autocatalytic interactions with Fe(II) and oxalic acid

The ability to simultaneously monitor the flux of iron atoms within the solution and solid phases can provide considerable insight into mechanisms of iron oxide mineral transformations. The autocatalytic interaction between hematite and Fe(II)-oxalate has long been of interest for its environmental and industrial relevance. In this study we take advantage of iron isotopic labelling and mass-sensitive imaging at the single particle scale to determine how changes in solution composition correlate with the morphologic evolution of faceted, micrometer-sized hematite platelets. Net dissolution is confirmed through analyses of aqueous iron chemistry, as well as by quantitative atomic force microscopy. Isotopic mapping techniques show that Fe(II) readily adsorbs to (001) and (012) surfaces in the absence of oxalate, but when oxalate is present selective dissolution of the (001) surface prevails and 57Fe deposition via recrystallization is not observed. Comparison between particle microtopographies following reaction with Fe(II), oxalate, and Fe(II)-oxalate show substantially different behavior, consistent with distinct mechanisms of interaction with hematite surfaces. The extensive characterization conducted on the coupled solution/solid dynamics in this system provides new insight for distinguishing crystal growth, dissolution, and recrystallization processes.

Taylor, Sandra D. [BATTELLE (PACIFIC NW LAB)]↗

Use of in Situ Synchrotron Techniques to Probe the Oxidized Surface of Molybdenum Nitride Oxygen Reduction Electrocatalysis

The development of active and stable earth-abundant catalysts for the oxygen reduction reaction (ORR) is needed for widespread, economic development of fuel cell technologies. Designing and optimizing these non-platinum group metals is challenging, however, because they are susceptible to composition and structure changes, including dissolution, oxidation, and corrosion, both in air and under reaction conditions. To identify the active surface, and thus understand the properties that affect activity, the catalyst surface must be characterized in situ. Herein, we utilize a grazing incidence electrochemical cell to investigate in situ composition and morphology changes of a molybdenum nitride (Mo-N) thin film catalyst using grazing incidence x-ray absorption spectroscopy (GI-XAS) and x-ray reflectivity (XRR). In rotating ring disk electrode measurements, we find that the activity, selectivity, stability, and capacitance of the Mo-N catalyst is dependent on the maximum potential to which it has been exposed. Specifically, the overpotential required to reach -2 mA cm-2geo decreases by over 90 mV when the maximum potential is increased from 0.3 to 0.8 V vs RHE (Figure 1). Because the Mo-N oxidizes rapidly in air, ex situ characterization methods including x-ray photoelectron spectroscopy and time-of-flight secondary ion mass spectrometry can provide only limited insight into these in situ catalyst changes. Using in situ GI-XAS measurements at applied potentials between 0.3 and 0.9 V vs RHE, however, we are able to determine that the surface of the film oxidizes and becomes more amorphous when exposed to increasingly higher potentials (Figure 1). Furthermore, the surface remains oxidized on the order of several hours when returned to "ORR relevant potentials" (< 0.6 V vs RHE), indicating that this surface-oxidized nitride is the active surface for ORR. Using in situ XRR measurements, we find that there is no change in surface roughness at potentials below 0.7 V vs RHE, but the film roughens significantly at 0.8 V vs RHE, correlating with ex situ measurements of Mo dissolution at this potential (Figure 1). We therefore conclude that the intrinsic activity of the Mo-N catalyst increases when exposed to potentials up to 0.7 V vs RHE, while above that potential activity enhancements are due to the exposure of more active sites through dissolution. The in situ electrochemical surface-sensitive x-ray characterization as used here is a promising methodology for understanding and leveraging surface dynamics to improve the performance of non-traditional catalysts.

Kreider, Melissa↗

Grain Shape Characterization as an Enabling Capability for Lunar Surface Technologies

Lunar regolith has unique physical and geotechnical properties compared with familiar granular materials on Earth, and most lunar simulants as well. Specifically, the cohesion, angle of repose, and compressibility are much higher, and flowability is much lower for lunar regolith than otherwise similar terrestrial-derived materials[1,2]. There is confusion in the literature about the relative importance of vacuum, gravity, and inherent grain characteristics in driving these differences. Here we emphasize the importance of characterizing grain types and shapes for designing and test-ing lunar surface technologies, including for rover mobility, material handling, soil sampling, and heat transfer analyses. We demonstrate laboratory capabilities and preliminary studies, and outline further work to better characterize and simulate lunar grains to reduce risks for surface activities

K. M. Cannon↗

Reactor physics characterization of triply periodic minimal surface-based nuclear fuel lattices

Triply periodic minimal surface (TPMS) lattices are receiving substantial attention in numerous engineering fields due to their impressive topology-driven physical characteristics. TPMS lattices are periodic structures of two distinct intertwined volume domains separated by an area-minimizing surface or wall. TPMS lattices have been observed in nature, such as biological membranes, skeletons, block copolymers, sea urchins, butterfly wings, and equipotential surfaces in crystals. Intriguingly, the topology of TPMS lattices can be easily parametrized via level-set equations and thus are heavily numerically and experimentally studied. Here, a significant research effort is currently applying TPMS lattices for heat exchangers and sinks. This paper extends TPMS lattice applications to nuclear reactor fuel designs, with a focus on identifying relevant TPMS geometric parameters controlling neutronics characteristics, such as reactivity, neutron spectrum, and heat removal properties. We found that fuel surface-area-to-volume ratios for TPMS lattices can be two orders of magnitude larger than current cylindrical fuel rods. Further, the selected TPMS lattice and its implicit equation, the unit cell pitch, wall thickness, and structure porosity are design parameters enabling neutronics optimization for both thermal and fast spectrum configurations, paving the way for exceptionally compact and dense nuclear core concepts.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Characterization of spent nuclear fuel canister surface roughness using surface replicating molds

In this study we present a replication method to determine surface roughness and to identify surface features when a sample cannot be directly analyzed by conventional techniques. As a demonstration, this method was applied to an unused spent nuclear fuel dry storage canister to determine variation across different surface features. In this study, an initial material down-selection was performed to determine the best molding agent and determined that non-modified Polytek PlatSil23-75 provided the most accurate representation of the surface while providing good usability. Other materials that were considered include Polygel Brush-On 35 polyurethane rubber (with and without Pol-ease 2300 release agent), Polytek PlatSil73-25 silicone rubber (with and without PlatThix thickening agent and Pol-ease 2300 release agent), and Express STD vinylpolysiloxane impression putty. The ability of PlatSil73-25 to create an accurate surface replica was evaluated by creating surface molds of several locations on surface roughness standards representing ISO grade surfaces N 3 , N 5 , N 7 , and N 8 . Overall, the molds were able to accurately reproduce the expected roughness average (R a ) values, but systematically over-estimated the peak-valley maximum roughness (R z ) values. Using a 3D printed sample cell, several locations across the stainless steel spent nuclear fuel canister were sampled to determine the surface roughness. These measurements provided information regarding variability in normal surface roughness across the canister as well as a detailed evaluation on specific surface features (e.g., welds, grind marks, etc.). The results of these measurements can support development of dry storage canister ageing management programs, as surface roughness is an important factor for surface dust deposition and accumulation. This method can be applied more broadly to different surfaces beyond stainless steel to provide rapid, accurate surface replications for analytical evaluation by profilometry.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Characterization of Adhesives for Attaching Reusable Surface Insulation on Space Shuttle Vehicles

An extensive development and testing program on adhesive systems shows that: (1) A closed cell silicone rubber sponge bonded to substrates with thin bond lines of glass filled adhesive exhibits density and modulus values approximately one third that of solid silicone adhesives; (2) utilization of glass or phenolic microballoons as fillers in silicone adhesives reduces density but increases moduli of the vulcanized materials; (3) the silicone elastomer based adhesives appear to be complex systems rather than homogeneous, isotropic materials. Tensile, shear, and compression properties plotted versus temperature verify this conjecture; and (4) constant strain-stress relaxation tests on glass-filled adhesive show that stress relaxation is most pronounced near the glass transition temperature.

Owen, H. P.↗