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At least 73 records · Page 4

Prediction of alkaline earth metal ion adsorption on goethite for various background electrolytes with the CD-MUSIC model

As water scarcity drives the use of more saline water sources, contaminant fate and transport models must capture the impact of high concentrations of alkaline earth metal ions (AEMs) and background electrolytes in these more complex waters. By utilizing macroscopic adsorption data from various electrolyte systems, a Charge Distribution – Multisite Complexation (CD-MUSIC) model, capable of incorporating electrolyte adsorption, was able to accurately simulate the adsorption behavior of alkaline earth metal ions onto goethite. The modeling effort was guided by previous spectroscopic and surface complexation modeling of alkaline earth metal adsorption and built on previous CD-MUSIC modeling that accounted for changes in crystal face contributions to the surface site density as a function of specific surface area. Further, the model was constrained to consider only two dominant surface complex species for each metal ion adsorption reaction. These two species were selected from 44 possible species through objective curve fitting of single-solute macroscopic adsorption data. While most of the alkaline earth metal surface complexes formed outer-sphere complexes at the goethite surface, an inner-sphere species was utilized for Mg 2+ . With the surface complex species and equilibrium constants obtained from this study, the calibrated model successfully predicted alkaline earth metal ion adsorption over a wide range of solution and surface conditions; the model predictions encompassed a wide range of pH (5–11), solute/solid ratio (1.37 × 10 -5 – 8.33 × 10 -4 mol -solute /g -solid ), ionic strengths (0.01 M – 0.7 M), and background electrolytes (Na + , Cs + , Rb + , Cl - , and NO 3 - ) using the same crystal face contribution methodology for site density, capacitance values, and surface acidity constants adopted for proton and cadmium adsorption in previous work (Han and Katz, 2019). Model simulations for a range of background water chemistries demonstrated the potential for Mg 2+ to reduce Cd 2+ adsorption to goethite in model seawater and oil- and gas-produced waters.

42 ENGINEERING↗

Brazing characteristics, microstructure, and wettability of laser powder bed fusion additive manufactured GRCop-84 compared to CuCrZr and OFC, and brazing to titanium-zirconium-molybdenum alloy limiters

Laser Powder Bed Fusion (L-PBF) of Glenn Research Copper 84 (GRCop-84), a Cr 2 Nb (8 at. % Cr, 4 at. % Nb) precipitation hardened alloy, produces a fully dense, high conductivity alloy with a yield strength of 500 MPa and ultimate tensile strength (UTS) of 740 MPa with 20% elongation; superior to other competing copper alloys. Braze wetting characteristics of GRCop-84 with Ag-Cu-X, and Au-Cu brazes were similar to CuCrZr, but less than oxygen free copper. No difference in wetting was observed between infill and surface contour areas in L-PBF GRCop-84. Wet sanding to 240 grit (R a =0.24 µm) was considered the optimal surface condition. Silver diffusing through GRCop-84 depleted Cr 2 Nb precipitates from the copper grain and deposited agglomerations of coarsened precipitates within silver-rich regions of intergranular diffusion once a density threshold was reached. Microstructure modification was minimized with 50Au-50Cu braze implying that silver caused precipitate coarsening and agglomeration, and not high temperature exposure. Coarsened precipitates were observed on the surface within braze pools implying a contribution to braze wetting. Palcusil-25, Ticusil, CuSil-ABA, and 50Au-50Cu brazes were suitable for brazing to unplated Titanium-Zirconium-Molybdenum (TZM), while sulfamate nickel plating to allows wetting with CuSil or other non-active brazes. Additionally, vacuum brazing techniques were developed to join a 1 mm thick layer of TZM to the front of additive manufactured GRCop-84 waveguides considering the brazing characteristics of both GRCop-84, TZM, and internal stress from the difference in coefficient in thermal expansion.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A magma ocean origin to divergent redox evolutions of rocky planetary bodies and early atmospheres

Magma oceans were once ubiquitous in the early solar system, setting up the initial conditions for different evolutionary paths of planetary bodies. In particular, the redox conditions of magma oceans may have profound influence on the redox state of subsequently formed mantles and the overlying atmospheres. The relevant redox buffering reactions, however, remain poorly constrained. Using first-principles simulations combined with thermodynamic modeling, we show that magma oceans of Earth, Mars, and the Moon are likely characterized with a vertical gradient in oxygen fugacity with deeper magma oceans invoking more oxidizing surface conditions. This redox zonation may be the major cause for the Earth’s upper mantle being more oxidized than Mars’ and the Moon’s. These contrasting redox profiles also suggest that Earth’s early atmosphere was dominated by CO 2 and H 2 O, in contrast to those enriched in H 2 O and H 2 for Mars, and H 2 and CO for the Moon.

58 GEOSCIENCES↗

Seasonal forecasting skill for the High Mountain Asia region in the Goddard Earth Observing System

Seasonal variability of the global hydrologic cycle directly impacts human activities, including hazard assessment and mitigation, agricultural decisions, and water resources management. This is particularly true across the High Mountain Asia (HMA) region, where availability of water resources can change depending on local seasonality of the hydrologic cycle. Forecasting the atmospheric states and surface conditions, including hydrometeorologically relevant variables, at subseasonal-to-seasonal (S2S) lead times of weeks to months is an area of active research and development. NASA's Goddard Earth Observing System (GEOS) S2S prediction system has been developed with this research goal in mind. Here, we benchmark the forecast skill of GEOS-S2S (version 2) hydrometeorological forecasts at 1–3-month lead times in the HMA region, including a portion of the Indian subcontinent, during the retrospective forecast period, 1981–2016. To assess forecast skill, we evaluate 2 m air temperature, total precipitation, fractional snow cover, snow water equivalent, surface soil moisture, and terrestrial water storage forecasts against the Modern-Era Retrospective analysis for Research and Applications, Version 2 (MERRA-2) and independent reanalysis data, satellite observations, and data fusion products. Anomaly correlation is highest when the forecasts are evaluated against MERRA-2 and particularly in variables with long memory in the climate system, likely due to the similar initial conditions and model architecture used in GEOS-S2S and MERRA-2. When compared to MERRA-2, results for the 1-month forecast skill range from an anomaly correlation of R anom =0.18 for precipitation to R anom =0.62 for soil moisture. Anomaly correlations are consistently lower when forecasts are evaluated against independent observations; results for the 1-month forecast skill range from R anom =0.13 for snow water equivalent to R anom =0.24 for fractional snow cover. We find that, generally, hydrometeorological forecast skill is dependent on the forecast lead time, the memory of the variable within the physical system, and the validation dataset used. Overall, these results benchmark the GEOS-S2S system's ability to forecast HMA hydrometeorology.

54 ENVIRONMENTAL SCIENCES↗

XANES spectroscopy of sulfides stable under reducing conditions

X-ray absorption near-edge structure (XANES) spectroscopy is a powerful technique to quantitatively investigate sulfur speciation in geologically complex materials such as minerals, glasses, soils, organic compounds, industrial slags, and extraterrestrial materials. This technique allows non-destructive investigation of the coordination chemistry and oxidation state of sulfur species ranging from sulfide (2–oxidation state) to sulfate (6+ oxidation state). Each sulfur species has a unique spectral shape with a characteristic K-edge representing the s → p and d hybridization photoelectron transitions. As such, sulfur speciation is used to measure the oxidation state of samples by comparing the overall XANES spectra to that of reference compounds. Although many S XANES spectral standards exist for terrestrial applications under oxidized conditions, new sulfide standards are needed to investigate reduced (oxygen fugacity, f O 2 , below IW) silicate systems relevant for studies of extraterrestrial materials and systems. Sulfides found in certain meteorites (e.g., enstatite chondrites and aubrites) and predicted to exist on Mercury, such as CaS (oldhamite), MgS (niningerite), and FeCr 2 S 4 (daubréelite), are stable at f O 2 below IW-3 but rapidly oxidize to sulfate and/or produce sulfurous gases under terrestrial surface conditions. XANES spectra of these compounds collected to date have been of variable quality, possibly due to the unstable nature of certain sulfides under typical (e.g., oxidizing) laboratory conditions. A new set of compounds was prepared for this study and their XANES spectra are analyzed for comparison with potential extraterrestrial analogs. S K -edge XANES spectra were collected at Argonne National Lab for FeS (troilite), MnS (alabandite), CaS (oldhamite), MgS (niningerite), Ni 1–x S, NiS 2 , CaSO 4 (anhydrite), MgSO 4 , FeSO 4 , Fe 2 (SO 4 ) 3 , FeCr 2 S 4 (daubréelite), Na 2 S, Al 2 S 3 , Ni 7 S 6 , and Ni 3 S 2 ; the latter five were analyzed for the first time using XANES. These standards expand upon the existing S XANES end-member libraries at a higher spectral resolution (0.25 eV steps) near the S K -edge. Processed spectra, those that have been normalized and “flattened,” are compared to quantify uncertainties due to data processing methods. Future investigations that require well-characterized sulfide standards, such as the ones presented here, may have important implications for understanding sulfur speciation in reduced silicate glasses and minerals with applications for the early Earth, Moon, Mercury, and enstatite chondrites.

Anzures, Brendan A.↗

An investigation into the effects of cyclic strain rate on the high cycle and very high cycle fatigue behaviors of wrought and additively manufactured Inconel 718

Additive Manufacturing (AM) has increasingly been used to fabricate parts in aerospace applications, which may require service lives beyond ten-million cycles due to the imposed high loading frequencies. Understanding the very high cycle fatigue (VHCF) behavior of these additive manufactured (AM) parts is an important step towards their design and qualification processes. This study focuses on the high cycle fatigue (HCF) and VHCF behaviors of both wrought and laser beam-powder bed fusion (LB-PBF) fabricated Inconel 718 in machined/polished surface condition, emphasizing on the influence of test frequency (i.e., cyclic strain rate). Uniaxial, fully-reversed force- and stress-controlled fatigue tests were conducted utilizing a servo-hydraulic and an ultrasonic test system operating at 5 Hz and 20 kHz, respectively, on wrought as well as LB-PBF vertically and diagonally built specimens. Fatigue cracks in the majority of the specimens were found to initiate from intra-granular slip bands near or at the surface, which gives rise to strong anisotropy in fatigue resistance in LB-PBF specimens due to the presence of columnar grains along the build directions. Longer fatigue lives were obtained at 20 kHz, which was ascribed to possibly lower-than-intended stresses applied in the ultrasonic tests. The corrected stress-life fatigue data at 20 kHz were found to converge to the one obtained from conventional testing at 5 Hz, implying no effect of cyclic strain rate on the fatigue behavior of Inconel 718 regardless of the fabrication process. The findings of this work confirm the use of ultrasonic fatigue testing to expedite generation of AM materials data to keep up with the current demand; however, the applied stress may need to be corrected.

36 MATERIALS SCIENCE↗

Cold Spray Deposition of 304L Stainless Steel to Mitigate Chloride-Induced Stress Corrosion Cracking in Canisters for Used Nuclear Fuel Storage

A feasibility study of the cold spray deposition process of 304L stainless steel on 304L stainless steel substrates as a mitigation method for chloride-induced stress corrosion cracking (CISCC) has been investigated under various substrate conditions. The study is aimed at the application of this technology to mitigate CISCC that may potentially occur in or nearthe fusion welded regions of stainless steel canisters in Dry Cask Storage System (DCSS) for used nuclear fuels. Spherical gas-atomized 304L stainless steel powder, in the size range of 25 µm to 44 µm, was used as a feedstock powder for the cold spray process. The powder was deposited on four types of 304L substrates with various surface conditions: as-polished, oxidized, cold-rolled, plates with prototypical CISCC. The effects of cold spray parameters on quality of cold spray coatings were investigated. Thickness, porosity, and phases in the as-deposited materials were evaluated using scanning electron microscopy (SEM) and X-ray diffraction (XRD), and correlated with microhardness and adhesion strength measured via micro-indentation and ASTM C633 pulling test, respectively. XRD analysis of the coatings was also conducted to examine the effects of cold spray condition on residual stress state in the coating. Detailed cross-sectional examination of coating/substrate interfaces was performed with transmission electron microscopy (TEM) equipped with energy dispersive spectroscopy (EDS). Dense and continuous coatings with good adhesion strength and hardness were produced for the various substrate conditions by adjusting cold spray parameters. The results demonstrate that cold spray stainless steel coating is a viable option to provide a physical barrier against CISCC in fusion weld regions of stainless steel in corrosive chloride salt-bearing environments.

Dry Cask Storage Systems, cold spray, 304L stainle↗

Crucial roles of eastward propagating environments in the summer MCS initiation over the U.S. Great Plains

Mesoscale convective systems (MCSs) frequently occur over the U.S. Great Plains during summer. An analysis using self-organizing map is conducted to identify four types of summer MCS initiation environments during 2004-2017. The first two types feature favorable large-scale environments at both upper and low levels, while Type-3 has favorable lower-level and surface conditions but unfavorable upper-level circulation, and Type-4 features the most unfavorable large-scale environments for MCS initiation. Despite the unfavorable large-scale environment, the convection-centered environments in Type-4 are favorable for MCS initiation and similar to the first two types, suggesting a role of sub-synoptic disturbances as an MCS precursor. All four types of the MCS initiation delineate a clear eastward propagating feature in many fields, such as upper-level potential vorticity/geopotential height, surface pressure and surface equivalent potential temperature, upstream up to 25°-longitude west of and ~36 hours before the MCS initiation. The propagating environments and local, non-propagating low-level moisture are found to be important in MCS initiation at the foothill of the Rocky Mountains, but over the central Great Plains, it is the coupling of dynamical and moisture anomalies associated with propagating waves that results in the MCS initiation. By tracking MCSs and mid-tropospheric perturbations (MPs), a type of sub-synoptic disturbances with Rocky Mountains origin, ~30% of MPs is associated with MCS initiation, mostly in Type-4. Although MPs are related to a small fraction of MCS initiation, MCSs that are associated with MPs tend to produce more rainfall in a larger area with a stronger convective intensity, suggesting MPs to be a source of intense MCSs in summer.

Song, Fengfei↗

Local-Scale Framework for Techno-Economic Analysis of Subsurface Hydrogen Storage

The energy sector is evolving toward increased reliance on renewable energy technologies to meet state, national, and organization decarbonization goals. This trend is creating challenges and opportunities with meeting current and future energy demand under the variable supply conditions that most renewables provide. Hydrogen (H 2 ) is a promising energy carrier that may meet the need for both on-demand and long-duration storage to maintain energy security and resilience. Underground hydrogen storage (UHS) is a method of storing H 2 in subsurface geological systems, such as depleted hydrocarbon reservoirs, salt caverns, saline aquifers, hard rock, and other engineered systems. UHS has the potential to store large quantities of H 2 over time, providing a reliable source of energy while minimizing surface footprints at a lower investment cost compared to surface storage. Earlier work estimated that, if converted and retrofitted, existing underground natural gas storage (UGS) facilities in the U.S. can store approximately 327 TWh, or 9.8 million metric tons, of pure H 2 . However, a shift to pure H 2 would decrease the collective working-gas energy of the UGS facilities by approximately 75% due to physical and chemical differences between natural gas and hydrogen. The same work also suggests that almost 75% of the existing UGS facilities in the U.S. could maintain current energy demand buffering using a blend of only 20% H 2 to 80% natural gas, by volume at surface conditions. If we can take advantage of the suite of mature technologies of existing UGS facilities and natural gas utility systems to accelerate the transition to a hydrogen economy in the U.S., a 20% H 2 blend could lead to a 6-7% reduction of greenhouse gas emissions for energy delivered through natural gas utility systems.

03 NATURAL GAS↗

Exploring Causal Physical Mechanisms via Non-Gaussian Linear Models and Deep Kernel Learning: Applications for Ferroelectric Domain Structures

Rapid emergence of multimodal imaging in scanning probe, electron, and optical microscopies has brought forth the challenge of understanding the information contained in these complex data sets, targeting the intrinsic correlations between different channels, and further exploring the underpinning causal physical mechanisms. Here, we develop such an analysis framework for Piezoresponse Force Microscopy. We argue that under certain conditions, we can bootstrap experimental observations with the prior knowledge of materials structure to get information on certain nonobserved properties, and demonstrate linear causal analysis for PFM observables. We further demonstrate that the strength of individual causal links between complex descriptors can be ascertained using the deep kernel learning (DKL) model. In this DKL analysis, we use the prior information on domain structure within the image to predict the physical properties. This analysis demonstrates the correlative relationships between morphology, piezoresponse, elastic property, etc., at nanoscale. The prediction of morphology and other physical parameters illustrates a mutual interaction between surface condition and physical properties in ferroelectric materials. Overall, this analysis is universal and can be extended to explore the correlative relationships of other multichannel data sets, and allow for high-fidelity reconstruction of underpinning functionalities and physical mechanisms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

S0 Uncrewed Aircraft System Measurement Characterization Field Campaign Report

The lower atmosphere contributes directly to the modulation of weather and climate. Understanding the importance of this part of the atmosphere, scientists have worked to improve the representation of the atmospheric boundary layer in numerical prediction tools. Such work depends upon information from observing systems, including remote sensors, weather balloons, and research aircraft. Recent years have seen significant advances in uncrewed aircraft systems (UAS) for atmospheric research. Those efforts have provided new perspectives on atmospheric and surface conditions, particularly from smaller UAS (sUAS) platforms. This field campaign included collection of data using several sUAS, and comparing the sUAS data to those from different observing facilities at the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) user facility’s Southern Great Plains (SGP) observatory in Oklahoma. Over the course of one week, the Black Swift Technologies and University of Nebraska teams conducted flights for the sole purpose of system evaluation and intercomparison. In addition, these teams conducted joint flight operations at the Marshall, Oklahoma Mesonet site alongside teams from the University of Colorado, University of Oklahoma, and Oklahoma State University to collect additional data for side-by-side comparison. Platforms operated by Black Swift Technologies and the University of Nebraska under this project included one fixed-wing and two rotary-wing platforms, as well as an instrumented surface vehicle. These include the Black Swift Technologies S0 UAS, the University of Nebraska M600 UAS, a University of Nebraska-operated Meteomatics Meteodrone UAS, and the University of Nebraska CoMeT (Combined Mesonet and Tracker) vehicle. Additional details on all of these platforms can be found in de Boer et al. (in prep). In total, 95 sUAS flights were conducted for a combined total of 18.6 flight hours. The S0 was operated both to the south and north of the SGP 60 m tower, while the M600 and Meteodrone were operated directly to the east of the tower. Weather conditions were generally good, with moderate winds. Flights were conducted both to follow the extra radiosondes that were launched as part of this campaign, as well as to conduct extended statistical sampling at tower instrument heights. The later flights also provided data for statistical platform intercomparison.

54 ENVIRONMENTAL SCIENCES↗

Vadose Zone Transport of Tritium and Nitrate under Ponded Water Conditions

Vadose zone transport of tritium and nitrate can be important considerations at radioactive waste sites, landfills, or areas with industrial impacts. These contaminants are of particular concern because they typically have a relatively higher mobility in the subsurface compared to other compounds. Here, we describe a semiarid site with tritium and nitrate contamination involving a manmade ponded water source above a thick unsaturated zone at Los Alamos National Laboratory in New Mexico, USA. This study demonstrates the value of vadose zone flow and transport modeling for the development of field investigation plans (i.e., identifying optimal borehole locations and depths for contaminant characterization), and how a combination of modeling with isotope and geochemical measurements can provide insight into how tritium and nitrate transport in the vadose zone in semiarid environments. Modeling results suggest that at this location, tritium transport is well predicted by classical multiphase theory. Our work expands the demonstrated usefulness of a standard tritium conceptual model to sites with ponded surface conditions and agrees with previous results where a standard model was able to explain the evolution of a tritium plume at an arid waste disposal site. In addition, depth-based analyses of δ 18 O and δ 2 H of pore waters helped confirm the extent of pond infiltration into the vadose zone, and the δ 15 N of nitrate showed that the contaminant release history of the site was different than originally assumed.

58 GEOSCIENCES↗

Kinetics of short-range order formation in GeSn alloy: MBE vs CVD

Recently, short-range order (SRO) has attracted significant attention, challenging the conventional view of the atomic positions in alloys being random. Furthermore, the presence of SRO has been predicted to have profound effects on the electronic and topological properties of group-IV alloys, offering a different direction in designing group-IV materials for photoelectronic and quantum devices. However, due to the limited understanding of the formation mechanisms, developing effective methods to manipulate SRO in epitaxy is still challenging. To address this, we propose a mechanism for the GeSn alloy, revealing that surface diffusion plays a key role in SRO formation. Building on this mechanism, we show that the distinct surface conditions in MBE and CVD lead to the formation of SRO with enhanced Sn–Sn pairing in MBE-grown samples, while CVD-grown samples remain random alloys. Furthermore, our findings provide an initial understanding of the kinetic process of SRO formation, providing guidance for the design of experiments to manipulate SRO.

Alloys↗

Mapping Stellar Surfaces. II. An Interpretable Gaussian Process Model for Light Curves

The use of Gaussian processes (GPs) as models for astronomical time series data sets has recently become almost ubiquitous, given their ease of use and flexibility. In particular, GPs excel at marginalization over the stellar signal when the variability due to starspots is treated as a nuisance, as in exoplanet transit modeling. However, these effective models are less useful in cases where the starspot signal is of primary interest, since it is not obvious how the parameters of the GP relate to physical parameters like the spot size, contrast, and latitudinal distribution. Instead, it is common practice to explicitly model the effect of individual starspots on the light curve and attempt to infer their properties via optimization or posterior inference. Unfortunately, this process is ill-posed and often computationally intractable when applied to stars with more than a few spots and/or to ensembles of many stars. Here we derive a closed-form expression for a GP that describes the light curve of a rotating, evolving stellar surface conditioned on a given distribution of starspot sizes, contrasts, and latitudes. We demonstrate that this model is correctly calibrated, allowing one to robustly infer physical parameters of interest from one or more light curves, including the typical spot radii and latitudes. Our GP has far-ranging implications for understanding the variability and magnetic activity of stars from light curves and radial velocity measurements, as well as for modeling correlated noise in exoplanet searches. Our implementation is efficient, user-friendly, and open-source, available in the package starry-process.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

The First Habitable-zone Earth-sized Planet from TESS. III. Climate States and Characterization Prospects for TOI-700 d

We present self-consistent three-dimensional climate simulations of possible habitable states for the newly discovered habitable-zone Earth-sized planet TOI-700 d. We explore a variety of atmospheric compositions, pressures, and rotation states for both ocean-covered and completely desiccated planets in order to assess the planet’s potential for habitability. For all 20 of our simulated cases, we use our climate model outputs to synthesize transmission spectra, combined-light spectra, and integrated broadband phase curves. These climatologically informed observables will help the community assess the technological capabilities necessary for future characterization of this planet—as well as similar transiting planets discovered in the future—and will provide a guide for distinguishing possible climate states if one day we do obtain sensitive spectral observations of a habitable planet around an M star. We find that TOI-700 d is a strong candidate for a habitable world and can potentially maintain temperate surface conditions under a wide variety of atmospheric compositions. Unfortunately, the spectral feature depths from the resulting transmission spectra and the peak flux and variations from our synthesized phase curves for TOI-700 d do not exceed 10 ppm. This will likely prohibit the James Webb Space Telescope from characterizing its atmosphere; however, this motivates the community to invest in future instrumentation that perhaps can one day reveal the true nature of TOI-700 d and to continue to search for similar planets around less distant stars.

79 ASTRONOMY AND ASTROPHYSICS↗

Magnification Determination for AGHCF Metallographic Images

Metallographic images generated in the Alpha Gamma Hot Cell Facility (AGHCF) have been used for quantitative and qualitative characterization of irradiated metallic fuel pins. Individual high-magnification images (micrographs) contained in AGHCF file folders and experimental notebooks are in the form of polaroid photographs labeled with AGHCF identification number, magnification, and surface condition (as-polished or etched). Low magnification composite images (photomosaics) are also available for fuel cross sections, for radial strips from the fuel center to the cladding outer diameter, and for circumferential strips of the cladding and outer fuel region. The individual images do not have scale bars. Only a few of the composite images contain scale bars. The purpose of this work is to describe and apply methods for checking the magnification (50X to 500X) of individual images and for determining the magnification (~25X to ~100X) of composite images. The metallographic images used to verify and/or determine magnification were generated during the 1989 to 1993 timeframe for cross sections of U-10Zr/HT9 fuel rods irradiated in EBR-II and for cross sections of irradiated U-10Zr/HT9 fuel-rod samples following elevated-temperature tests conducted in the out-of-pile AGHCF Fuel Behavior Test Apparatus (FBTA). Procedures are documented in the AGHCF Operations Manual for preparation of metallographic samples, for calibration verification, and for constructing composites from individual images. Calibration verification of magnification was performed at least semiannually. One standard used for calibration verification was a glass slide with vertical lines indicating distances of 1 mm, 0.1 mm and 0.01mm. Guidance is provided in the current work for determining magnification from images of the standard. In addition to the periodic calibration verification, consistency checks are recommended to verify the magnification of images taken between the routine calibration verifications. For cladding samples with or without significant fuel-cladding chemical interaction (FCCI), images taken at different magnifications (e.g., 150X and 200X) of the unaffected cladding thickness can be compared. This process is independent of changes in cladding thickness due to swelling and creep. For images taken at only one magnification of cladding regions with no FCCI, the cladding thickness determined from the images may be compared to the nominal as-built cladding thickness (15.0 ± 0.5 mils for examples used in current work)). This procedure works best for cladding that has not experienced significant swelling and/or creep (e.g., ≤2% circumferential strain at the cladding outer surface). Composite images were constructed by pasting together higher magnification images and photographing the composite to generate a negative from which the hard-copy photograph was developed. The primary purpose of the composite images was to identify interesting areas of the fuel and cladding for imaging at higher magnification. However, procedures are recommended in the current work for determining composite magnifications to allow quantitative characterization of the fuel. Composites are not recommended for determining cladding thickness or FCCI depth because magnifications are too low (generally ≤110X) and image contrast is low. Fuel cross-section composites were created by pasting together 50X or 75X images. The nominal magnification for the photographed fuel cross-section composites is 25.4X. A more precise magnification can be determined by comparing the average cladding outer diameter measured from the composite to the average cladding outer diameter measured by profilometry. Radial-strip composites were constructed by pasting together high-magnification (150X or 250X) images. The nominal magnification of radial-strip composites photographs is about 100X. A more precise method for determining the magnification of radial strips is to compare the cladding thick

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Impact of Electrolyte Composition on Bulk Electrolysis of Furfural over Platinum Electrodes

Partial oxidation of furanic biomass derivatives such as furfural is of interest for the sustainable production of chemicals including furoic acid, maleic acid, and 2,5-furandicarboxylic acid (FDCA). The oxidative bulk electrolysis of furfural is here investigated on platinum electrodes in acidic media. The effects of potential, concentration, pH, and supporting anion are studied, and selectivity trends are coupled with attenuated total reflectance surface-enhanced infrared absorption spectroscopy (ATR-SEIRAS) to illuminate adsorbate structures that influence the catalysis. Increasing potential is found to shift selectivity from primarily C 5 products to C 4 products, coincident with oxidation of the Pt surface. Selectivity changes are also observed moving from pH 1 to pH 4, with an increase in C 5 products at higher pH. Furthermore, changing from the weakly adsorbing perchlorate anion to the specifically-adsorbing phosphate anion results in a number of changes that manifest differently depending on potential and pH. Selectivity to furoic acid is found to be highest above the pKa of phosphoric acid due to the strongly adsorbed phosphate ions suppressing flat-lying configurations of furfural that lead to C−C cleavage. These results point toward opportunities to use electrolyte engineering to tune selectivity and optimize surface conditions to disfavor binding of inhibitory products.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Modeling the distribution of the endangered Jemez Mountains salamander (Plethodon neomexicanus) in relation to geology, topography, and climate

The Jemez Mountains salamander (Plethodon neomexicanus; hereafter JMS) is an endangered salamander restricted to the Jemez Mountains in north-central New Mexico, United States. This strictly terrestrial and lungless species requires moist surface conditions for activities such as mating and foraging. Threats to its current habitat include fire suppression and ensuing severe fires, changes in forest composition, habitat fragmentation, and climate change. Forest composition changes resulting from reduced fire frequency and increased tree density suggest that its current aboveground habitat does not mirror its historically successful habitat regime. However, because of its limited habitat area and underground behavior, we hypothesized that geology and topography might play a significant role in the current distribution of the salamander. We modeled the distribution of the JMS using a machine learning algorithm to assess how geology, topography, and climate variables influence its distribution. The best habitat suitability model indicates that geology type and maximum winter temperature (November to March) were most important in predicting the distribution of the salamander (23.5% and 50.3% permutation importance, respectively). Minimum winter temperature was also an important variable (21.4%), suggesting this also plays a role in salamander habitat. Our habitat suitability map reveals low uncertainty in model predictions, and we found slight discrepancies between the designated critical habitat and the most suitable areas for the JMS. Because geological features are important to its distribution, we recommend that geological and topographical data are considered, both during survey design and in the description of localities of JMS records once detected.

59 BASIC BIOLOGICAL SCIENCES↗