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At least 1,225 records · Page 68

Gaseous swelling of U 3 Si 2 during steady-state LWR operation: A rate theory investigation

Rate theory simulations of fission gas behavior in U 3 Si 2 are reported for light water reactor (LWR) steady-state operation scenarios. We developed a model of U 3 Si 2 and implemented into the GRASS-SST code based on available research reactor post-irradiation examination (PIE) data, and density functional theory (DFT) calculations of key material properties. Simplified peripheral models were also introduced to capture the fuel-cladding interaction. The simulations identified three regimes of U 3 Si 2 swelling behavior between 390 K and 1190 K. Under typical steady-state LWR operating conditions where U 3 Si 2 temperature is expected to be below 1000 K, intragranular bubbles are dominant and fission gas is retained in those bubbles. The consequent gaseous swelling is low and associated degradation in the fuel thermal conductivity is also limited. Those predictions of U 3 Si 2 performance during steady-state operations in LWRs suggest that this fuel material is an appropriate LWR candidate fuel material. Fission gas behavior models established based on this work are being coupled to the thermo-mechanical simulation of the fuel behavior using the BISON fuel performance multi-dimensional finite element code.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

The role of solvent and the outer coordination sphere on H 2 oxidation using [Ni(P Cy 2 N Pyz 2 ) 2 ] 2+

Hydrogenase enzymes are reversible catalysts for H 2 production/oxidation, operating with fast rates and minimal overpotentials in water. Many synthetic catalyst mimics of hydrogenase operate in organic solvents. However, recent work has demonstrated the importance of water in the performance of some model complexes. In this work, the H 2 oxidation activity of [Ni(P Cy 2 N (3–pyridazyl)methyl 2 ) 2 ] 2+ (CyPyz) was compared as a function of acetonitrile, methanol, and water. The reactivity was compared under neutral and acidic conditions in all three solvents and improvement in catalytic activity, from 2 to 40 s -1 , was observed with increasing hydrogen bonding ability of the solvent. In addition, the overpotential for catalysis drops significantly in the presence of acid in all solvents, from as high as 600 mV to as low as 70 mV, primarily due to the shift in the equilibrium potential under these conditions. Finally, H 2 production was also observed in the same solution, demonstrating bidirectional (irreversible) homogeneous H 2 production/oxidation. A structurally and electronically similar complex with a benzyl instead of a pyridazyl group was not stable under these conditions, limiting the evaluation of the contributions of the outer coordination sphere. Collectively, we show that by tuning conditions we can promote fast, efficient H 2 oxidation and bidirectional catalysis.

Bidirectional catalysis↗

Phylogenetically structured traits in root systems influence arbuscular mycorrhizal colonization in woody angiosperms

In this study, there is little quantitative information about the relationship between root traits and the extent of arbuscular mycorrhizal fungi (AMF) colonization. We expected that ancestral species with thick roots will maximize AMF habitat by maintaining similar root traits across root orders (i.e., high root trait integration), whereas more derived species are expected to display a sharp transition from acquisition to structural roots. Moreover, we hypothesized that interspecific morphological differences rather than soil conditions will be the main driver of AMF colonization We analyzed 14 root morphological and chemical traits and AMF colonization rates for the first three root orders of 34 temperate tree species grown in two common gardens. We also collected associated soil to measure the effect of soil conditions on AMF colonization Results Thick-root magnoliids showed less variation in root traits along root orders than more-derived angiosperm groups. Variation in stele:root diameter ratio was the best indicator of AMF colonization within and across root orders. Root functional traits rather than soil conditions largely explained the variation in AMF colonization among species. In conclusion, not only the traits of first order but the entire structuring of the root system varied among plant lineages, suggesting alternative evolutionary strategies of resource acquisition. Understanding evolutionary pathways in below ground organs could open new avenues to understand tree species influence on soil carbon and nutrient cycling.

59 BASIC BIOLOGICAL SCIENCES↗

Edge flame structure in a turbulent lifted flame: A direct numerical simulation study

This paper presents here a statistical analysis of edge flames in a turbulent lifted flame using direct numerical simulation (DNS). To investigate the dynamics of edge flames, a theoretical framework describing the edge-flame propagation velocity as a function of propagation velocities of mixture-fraction and product-mass fraction iso-surfaces at the flame base is used. The correlations between these propagation velocities and several other variables are then studied, including iso-surface curvatures, iso-surface orientations, strain rates, scalar dissipation rate and gradients of product mass fraction. The contribution of these parameters to the overall behaviour of the edge flame is also investigated using conditional averaging on two-dimensional spatial locations at the flame base. The analysis reveals that the tangential and normal strain rates in addition to the curvatures and scalar dissipation rates have significant contributions to the overall behaviour of the edge flame. The elliptical motion of the flame base described in our earlier study is extended to provide a clearer picture of how these various parameters affect the large fluctuations of edge-flame velocity observed at the flame base.

42 ENGINEERING↗

Groundwater–surface water mixing shifts ecological assembly processes and stimulates organic carbon turnover

Environmental transition zones are associated with geochemical gradients that overcome energy limitations to microbial metabolism, resulting in biogeochemical hot spots and moments. Riverine systems where groundwater mixes with surface water (the hyporheic zone) are spatially complex and temporally dynamic, making development of predictive models challenging. Spatial and temporal variations in hyporheic zone microbial communities are a key, but understudied, component of riverine biogeochemical function. To investigate the coupling among groundwater-surface water mixing, microbial communities, and biogeochemistry we applied ecological theory, aqueous biogeochemistry, DNA sequencing, and ultra-high resolution organic carbon profiling to field samples collected across times and locations representing a broad range of mixing conditions. Mixing of groundwater and surface water resulted in a shift from transport-driven stochastic dynamics to a deterministic microbial structure associated with elevated biogeochemical rates. While the dynamics of the hyporheic make predictive modeling a challenge, we provide new knowledge that can improve the tractability of such models.

54 ENVIRONMENTAL SCIENCES↗

Photocatalyzed electron exchange between organic chromophores and hematite nanoparticles and the role of solid-state charge transport

Understanding photocatalyzed redox interactions between Fe(III)–(oxyhydr)oxide mineral nanoparticles and adsorbed chromophoric organic matter is critical for accurately predicting bioavailable iron fluxes in the euphotic zone of natural aquatic systems, and for improving the effectiveness of nano-iron-based water purification systems. However, the electron transfer processes that underpin photoreductive dissolution at particle/organic/solution interfaces occur on ultrafast timescales and thus remain difficult to probe. In this work, we report an ultrafast transient absorption spectroscopy (TAS) study of suspensions of hematite nanoplatelets (HNPs) sensitized by adsorbed rhodamine B (RhB) dye as a function of solution media and pH. The TAS results indicate a substantially longer fluorescence lifetime of RhB adsorbed on HNPs across a wide range of pH conditions, consistent with transient photoinduced electron transfer to the oxide with recombination kinetics controlled by electron migration back to the interface via small polaron hopping. Normalization of the observed kinetics to the measured surface loading of RhB at different pH values shows that the recombination rates are insensitive to environmental variables, likely controlled instead by particle properties that determine small polaron diffusion behavior.

54 ENVIRONMENTAL SCIENCES↗

Mechanisms influencing and prediction of tool influence function spots during hemispherical sub-aperture tool polishing on fused silica

Sub-aperture tool polishing of precision optics requires a detailed understanding of the local material removal [tool influence function (TIF)] at the contact spot between the workpiece and tool to achieve high removal determinism and hence precision of the optic relative to the desired/design surface figure. In this study, the mechanisms influencing and the quantitative prediction of the removal rate and shape of TIF spots during polishing of fused silica glass with cerium oxide slurry using a rotating hemispherical pad-foam tool for a wide variety of process conditions (including tool properties, kinematics, and applied displacements) are investigated. The TIF volumetric removal rate can be estimated utilizing the average relative velocity and contact area using a simple analytical model. In addition, stability of the volumetric removal rate for fixed process conditions is shown to be greatly dependent on the pad preparation and amount of tool use (affecting both pad topography and slurry buildup), whose general behavior shows an increase in removal rate followed by stabilization with polishing time. The determination of the TIF removal shape is more complex. An extended version of the Preston removal model is developed to explain a comprehensive set of measured TIF removal shapes to within ∼ <#comment/> 22 % <#comment/> . This model incorporates a number of phenomena impacting the TIF removal shape including: (a) temporal and spatial dependent relative velocity between the workpiece and tool; (b) an elastic mechanics based, as well as hydrodynamic, pressure distribution; (c) a spatially dependent friction coefficient possibly caused by both reduced slurry replenishment in low velocity regions and pad slurry islands (100 µm scale) and porosity (millimeter scale); and (d) a shear-based removal mechanism on the periphery of the contact spot.

Suratwala, T. (ORCID:0000000190861039)↗

A SUPER-SOLAR METALLICITY FOR STARS WITH HOT ROCKY EXOPLANETS

Host star metallicity provides a measure of the conditions in protoplanetary disks at the time of planet formation. Using a sample of over 20,000 Kepler stars with spectroscopic metallicities from the LAMOST survey, we explore how the exoplanet population depends on host star metallicity as a function of orbital period and planet size. We find that exoplanets with orbital periods less than 10 days are preferentially found around metal-rich stars ([Fe/H] ≃ 0.15 ± 0.05 dex). The occurrence rates of these hot exoplanets increases to ∼30% for super-solar metallicity stars from ∼10% for stars with a sub-solar metallicity. Cooler exoplanets, which reside at longer orbital periods and constitute the bulk of the exoplanet population with an occurrence rate of ≳90%, have host star metallicities consistent with solar. At short orbital periods, P<10 days, the difference in host star metallicity is largest for hot rocky planets (<1.7 R{sub ⊕}), where the metallicity difference is [Fe/H] ≃ 0.25 ± 0.07 dex. The excess of hot rocky planets around metal-rich stars implies they either share a formation mechanism with hot Jupiters, or trace a planet trap at the protoplanetary disk inner edge, which is metallicity dependent. We do not find statistically significant evidence for a previously identified trend that small planets toward the habitable zone are preferentially found around low-metallicity stars. Refuting or confirming this trend requires a larger sample of spectroscopic metallicities.

79 ASTRONOMY AND ASTROPHYSICS↗

Temperature anisotropy instabilities driven by Whang's ion model

The behavior of four temperature anisotropy instabilities in a single-component space plasma is investigated theoretically using the solar wind model (i.e., heat flux modified non-Maxwellian velocity distribution functions) proposed by Whang (1972). The linear dispersion properties are studied in an infinite Vlasov plasma where the proton distribution is assumed to consist of one warm slow-speed component and where the electron background is isotropic. It is shown that the fire hose, mirror, and Harris instability do not occur under these conditions, and that only the ion cyclotron instability is of importance in Whang's ion model. Growth rates are shown to have values between 0.021 and 0.00011. Increasing temperature anisotropy causes the range frequencies where wave particle interaction occurs to be shifted toward the ion gyrofrequency.

Leubner, M. P.↗

Vapor flow into a capillary propellant-acquisition device

An analytical model is described that specifies the conditions needed to cause a flow of vapor through the screens of a start basket. The analytical model is composed of several original submodels that interrelate the evaporation of the liquid in the basket, the bubble-point change of a screen in the presence of wicking, the drying out of a screen through a combination of evaporation and pressure difference, the vapor flow rate across a wet screen as a function of pressure difference, and the effect on wicking of a difference between the static pressure of the liquid reservoir and the vapor surrounding the screen. Most of the interrelations were demonstrated by a series of separate-effects tests, which were also used to determine certain empirical constants. The equations of the model were solved numerically for typical start basket designs. A simplified start basket was constructed and tested to verify these predictions, using both volatile and non-volatile liquids. The test results verified the trends predicted by the model.

Dodge, F. T.↗

Signatures of flux erosion from the dayside magnetosphere

The rate of merging and the strength of the region 1 Birkeland currents increase during periods of southward interplanetary magnetic field (IMF). Fringe fields of the Birkeland currents depress dayside magnetospheric magnetic field strengths and remove magnetic flux from the dayside magnetophere, thereby allowing the dayside magnetopause to move inward and the cusp equatorward. We use previously derived fits to the magnetospause location as a function of IMF B(sub z), the condition of pressure balance at the magnetopause, and an idealized model of region 1 Birkeland currents to estimate that strong southward IMF turnings will produce approximately 13- to 26-nT depressions in the geosynchronous magnetic field strength over periods of 30-60 min. We then present three case studies of geosynchronous magnetic field strength variations during periods of nearly constant solar wind dynamic pressure and southward IMF. The dayside magnetospheric magnetic field strength was depressed approximately 10 nT during a period of strongly southward IMF (B(sub z) = -6 nT), but only approximately 5 nT during two more typical periods of slightly southward IMF (B(sub z) = -2 to -3 nT). The depressions correspond to periods of enhanced AL index, which we interpret as evidence for directly driven solar wind-magnetosphere interaction rather than the unloading of energy stored within the magnetotail. Dayside geosynchronous magnetic field strengths are weakly correlated with IMF B(sub z).

Sibeck, D. G.↗

Rotating Molten Metallic Drops and Related Phenomena: A New Approach to the Surface Tension Measurement

Molten aluminum and tin drops were levitated in a high vacuum by controlled electric fields, and they were systematically rotated by applying by a rotating magnetic field. When the evolution of the drop shape was measured as a function of rotation frequency, it agreed quantitatively well with the Brown and Scriven's theoretical prediction. The normalized rotation frequencies at the bifurcation point agreed with the predicted value 0.559, within 2%. An anomalous phenomenon which totally deviated from the prediction was observed in rotating molten tin drops when they were kept in a high rotation rate for several hours. No anomaly was observed in aluminum drops when they underwent similar condition. It was speculated that under the strong centrifugal force in the drop the tin isotopes must be separating. Since Al-27 is essentially the only naturally abundant isotope in the aluminum drops, the same anomaly is not expected. Based on the shape deformation of a rotating drop, an alternate approach to the surface tension measurement was verified. This new surface tension measurement technique was applied to a glassforming alloy, Zr(41.2)Ti(13.8)Cu(12.5)Ni(10.0)Be(22.5) in its highly viscous states. Also demonstrated in the paper was a use of a molten aluminum drop to verify the Busse's prediction of the influence of the drop rotation on the drop oscillation frequency.

Rhim, Won-Kyu↗

Lunar Terrain Vehicle (LTV) Remote Teleoperation Studies Under Four Lunar Communication Latencies

Remotely operating a lunar rover from Earth while subject to an Earth-Moon time delay of multiple seconds could result in a dangerous state where the roving vehicle is either damaged or lost, thereby potentially compromising an entire mission or series of missions. Providing the right capabilities to the remote operator to manage inherent communication latencies will be important for remote driving to be successful. NASA conducted two studies to investigate the average speed and number of kilometers per day that an operator on Earth could teleoperate a notional Artemis unpressurized rover with minimal remote operator capabilities under 0- and 4-second communication delays (April 2023 study) and 6- and 8-second delays (August 2023 study). A primary goal of these studies was to understand if an Artemis Lunar Terrain Vehicle (LTV) could cover 6 kilometers (km) in 24 hours when operated remotely. During the April 2023 evaluation, eight test operators used an in-house simulation of the lunar surface South Pole to teleoperate a NASA government reference LTV. Each operator received approximately 30 minutes of remote driving familiarization/training prior to their test run. Operators viewed the surrounding terrain via a single, rover mast-mounted, high-resolution camera with pan/tilt/zoom capabilities; continuous communication was provided throughout all testing. In the August 2023 evaluation, remote operators received approximately 3 hours of familiarization training in each latency, and the simulation environment provided remote operators with an operator-selected rate limiter to enable finer sensitivity in the hand controller and a predictive circle function to better assist operators with predicting the path the vehicle could take. All test operators were able to successfully navigate and drive through six different types of terrain and five planned traverse scenarios using natural lighting under all communication delays. Results for average speeds for each communication delay, computed by averaging the data from all test conditions for that latency and all operators, are shown in the table below. The average speed data was then used to derive the total time needed to cover 6 km, 8 km, and 20 km (distances relevant to LTV-SYS071 and -029 requirements). Remote operators drove slower and used the brake more frequently when subject to a communication latency as opposed to no communication latency. Subjective workload assessments revealed that while operating in a latency the overall workload significantly increased when compared to a 0-s delay with mental demand, frustration, and performance being the primary contributing factors. Driving strategies in the 0-s delay did not vary significantly among subjects; however, in the 4-s delay condition, three different driving strategies were identified. In the 6-s and 8-s latency conditions the operator’s use of the cruise control to maintain speed was more apparent. Additionally, over the course of the August study, the operator took advantage of the predictive circle indicator on the navigation display and over 95% of the operator’s navigation used the mast camera 180-degree panning function for ground truthing in terms of boulders and craters. Operators started to define more specific parameters in driving strategies for general operations. This consisted of setting the vehicle into a low-speed cruise mode of approximately 11.5 kph and noticing driving performance of the vehicle seemed to be much harder at slower speeds 0.4–0.8 kph; however, the vehicle was more responsive at speeds of 2.9–3.6 kph. Regardless of communication delay, operators used both the horizontal translation rails and the vehicle fenders as guides to predict a path for the vehicle through heavily concentrated terrain features. Test operators acknowledged that the teleoperations training for this study was substantially less than what an actual LTV remote operator will ultimately receive. They estimated a minimum of 20 to 100 hours spread across multiple days and weeks (e.g., strategies included immersion training over a 3-day period, to a short 8-week starter program) would be needed to get an operator ~ 60% proficient (i.e., able to complete a subset of remote driving tasks), to a yearlong program for full proficiency in remote driving tasks under all terrain types and natural lighting conditions. Remotely operating a vehicle on another planetary body while subject to communication latency is a complex task. Speed, distance covered, time spent driving, time spent navigating, brake usage and rock contacts are all affected by operator workload, driving strategies, workstation ergonomics and training. These studies provided a “first-look” answer to a potential system requirement (namely if a remote operator could cover a given distance in a given amount of time); however, considerable general knowledge was gained to begin to understand what it will take to make a successful lunar rover teleoperator.

LTV↗

Lunar Terrain Vehicle (LTV) Remote Teleoperation Studies Under Four Lunar Communication Latencies

Remotely operating a lunar rover from Earth while subject to an Earth-Moon time delay of multiple seconds could result in a dangerous state where the roving vehicle is either damaged or lost, thereby potentially compromising an entire mission or series of missions. Providing the right capabilities to the remote operator to manage inherent communication latencies will be important for remote driving to be successful. The National Aeronautics and Space Administration (NASA) conducted two studies to investigate the average speed and number of kilometers per day that an operator on Earth could teleoperate a notional Artemis unpressurized rover with minimal remote operator capabilities under 0- and 4-second communication delays (April 2023 study) and 6- and 8-second delays (August 2023 study). A primary goal of these studies was to understand if an Artemis Lunar Terrain Vehicle (LTV) could cover 6 kilometers (km) in 24 hours when operated remotely. During the April 2023 evaluation, eight test operators used an in-house simulation of the lunar surface South Pole to teleoperate a NASA government reference LTV. Each operator received approximately 30 minutes of remote driving familiarization/training prior to their test run. Operators viewed the surrounding terrain via a single, rover mast-mounted, high-resolution camera with pan/tilt/zoom capabilities; continuous communication was provided throughout all testing. In the August 2023 evaluation, remote operators received approximately 3 hours of familiarization training in each latency, and the simulation environment provided remote operators with an operator-selected rate limiter to enable finer sensitivity in the hand controller and a predictive circle function to better assist operators with predicting the path the vehicle could take. All test operators were able to successfully navigate and drive through six different types of terrain and five planned traverse scenarios using natural lighting under all communication delays. Results for average speeds for each communication delay, computed by averaging the data from all test conditions for that latency and all operators, are shown in the table below. The average speed data was then used to derive the total time needed to cover 6 km, 8 km, and 20 km. Remote operators drove slower and used the brake more frequently when subject to a communication latency as opposed to no communication latency. Subjective workload assessments revealed that while operating in a latency the overall workload significantly increased when compared to a 0-s delay with mental demand, frustration, and performance being the primary contributing factors. Driving strategies in the 0-s delay did not vary significantly among subjects; however, in the 4-s delay condition, three different driving strategies were identified. In the 6-s and 8-s latency conditions the operator’s use of the cruise control to maintain speed was more apparent. Additionally, over the course of the August study, the operator took advantage of the predictive circle indicator on the navigation display and over 95% of the operator’s navigation used the mast camera 180-degree panning function for ground truthing in terms of boulders and craters. Operators started to define more specific parameters in driving strategies for general operations. This consisted of setting the vehicle into a low-speed cruise mode of approximately 1–1.5 kph and noticing driving performance of the vehicle seemed to be much harder at slower speeds 0.4–0.8 kph; however, the vehicle was more responsive at speeds of 2.9–3.6 kph. Regardless of communication delay, operators used both the horizontal translation rails and the vehicle fenders as guides to predict a path for the vehicle through heavily concentrated terrain features. Test operators acknowledged that the teleoperations training for this study was substantially less than what an actual LTV remote operator will ultimately receive. They estimated a minimum of 20 to 100 hours spread across multiple days and weeks (e.g., strategies included immersion training over a 3-day period, to a short 8-week starter program) would be needed to get an operator ~ 60% proficient (i.e., able to complete a subset of remote driving tasks), to a yearlong program for full proficiency in remote driving tasks under all terrain types and natural lighting conditions. Remotely operating a vehicle on another planetary body while subject to communication latency is a complex task. Speed, distance covered, time spent driving, time spent navigating, brake usage and rock contacts are all affected by operator workload, driving strategies, workstation ergonomics and training. These studies provided a “firstlook” answer to a potential system requirement (namely if a remote operator could cover a given distance in a given amount of time); however, considerable general knowledge was gained to begin to understand what it will take to make a successful lunar rover teleoperator.

LTV↗

Electron energy distribution function, effective electron temperature, and dust charge in the temporal afterglow of a plasma

Analytical expressions describing the variation of electron energy distribution function (EEDF) in an afterglow of a plasma are obtained. Especially, the case when the electron energy loss is mainly due to momentum-transfer electron-neutral collisions is considered. The study is carried out for different EEDFs in the steady state, including Maxwellian and Druyvesteyn distributions. The analytical results are not only obtained for the case when the rate for momentum-transfer electron-neutral collisions is independent on electron energy but also for the case when the collisions are a power function of electron energy. Using analytical expressions for the EEDF, the effective electron temperature and charge of the dust particles, which are assumed to be present in plasma, are calculated for different afterglow durations. An analytical expression for the rate describing collection of electrons by dust particles for the case when the rate for momentum-transfer electron-neutral collisions is independent on electron energy is also derived. The EEDF profile and, as a result, the effective electron temperature and dust charge are sufficiently different in the cases when the rate for momentum-transfer electron-neutral collisions is independent on electron energy and when the rate is a power function of electron energy.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Space Link Extension Protocol Emulation for High-Throughput, High-Latency Network Connections

New space missions require higher data rates and new protocols to meet these requirements. These high data rate space communication links push the limitations of not only the space communication links, but of the ground communication networks and protocols which forward user data to remote ground stations (GS) for transmission. The Consultative Committee for Space Data Systems, (CCSDS) Space Link Extension (SLE) standard protocol is one protocol that has been proposed for use by the NASA Space Network (SN) Ground Segment Sustainment (SGSS) program. New protocol implementations must be carefully tested to ensure that they provide the required functionality, especially because of the remote nature of spacecraft. The SLE protocol standard has been tested in the NASA Glenn Research Center's SCENIC Emulation Lab in order to observe its operation under realistic network delay conditions. More specifically, the delay between then NASA Integrated Services Network (NISN) and spacecraft has been emulated. The round trip time (RTT) delay for the continental NISN network has been shown to be up to 120ms; as such the SLE protocol was tested with network delays ranging from 0ms to 200ms. Both a base network condition and an SLE connection were tested with these RTT delays, and the reaction of both network tests to the delay conditions were recorded. Throughput for both of these links was set at 1.2Gbps. The results will show that, in the presence of realistic network delay, the SLE link throughput is significantly reduced while the base network throughput however remained at the 1.2Gbps specification. The decrease in SLE throughput has been attributed to the implementation's use of blocking calls. The decrease in throughput is not acceptable for high data rate links, as the link requires constant data a flow in order for spacecraft and ground radios to stay synchronized, unless significant data is queued a the ground station. In cases where queuing the data is not an option, such as during real time transmissions, the SLE implementation cannot support high data rate communication.

Computer Networking↗

Lack of long-term effect of coarse woody debris dam restoration on ecosystem functioning and water quality in Coastal Plain streams

Coarse woody debris (CWD) addition is a restoration technique that has been used to reduce effects of landscape disturbance on instream habitat. However, efficacy of this technique for improving ecosystem condition is not well established, in part because monitoring designed to evaluate long-term efficacy is rare. We assessed the effectiveness of CWD additions in disturbed Coastal Plain streams at Fort Benning Military Installation, Georgia, USA, 14 y after initial restoration. In October 2003, 4 disturbed streams received CWD additions (restored streams), and 4 streams were left as unrestored controls. Pre-restoration (2001–2003) and post-restoration (2003–2006) monitoring of nutrient uptake, stream metabolism, and water-quality variables revealed 1) minimal change in water-quality variables, 2) increased stream metabolism and nutrient-uptake rates immediately following restoration, and 3) decreased metabolism and uptake over the remainder of the 3-y post-restoration period. We returned to these streams in 2017 and 2018, measured the same variables, and found minimal long-term effects of restoration on water quality, nutrient uptake, and whole-stream metabolism indicators; however, streamwater pH decreased in all streams 14 y after restoration, and there was a weak treatment × period interaction, indicating that CWD additions may decrease pH in the long term. Further, we found few relationships between watershed disturbance and water-quality variables and ecosystem function metrics, although some relationships were apparent during certain seasons and years. Furthermore, our study is one of the few that have assessed the long-term effects of CWD additions, or any other stream-restoration technique, on ecosystem function. These long-term assessments may be necessary to determine if restorations are a good use of limited resources.

54 ENVIRONMENTAL SCIENCES↗

Active Learning Accelerated Discovery of Stable Iridium Oxide Polymorphs for the Oxygen Evolution Reaction

The discovery of high-performing and stable materials for sustainable energy applications is a pressing goal in catalysis and materials science. Understanding the relationship between a material’s structure and functionality is an important step in the process, such that viable polymorphs for a given chemical composition need to be identified. Machine-learning-based surrogate models have the potential to accelerate the search for polymorphs that target specific applications. Herein, we report a readily generalizable active-learning (AL) accelerated algorithm for identification of electrochemically stable iridium oxide polymorphs of IrO 2 and IrO 3 . The search is coupled to a subsequent analysis of the electrochemical stability of the discovered structures for the acidic oxygen evolution reaction (OER). Structural candidates are generated by identifying all 956 structurally unique AB2 and AB3 prototypes in existing materials databases (more than 38000). Next, using an active learning approach, we find 196 IrO 2 polymorphs within the thermodynamic amorphous synthesizability limit and reaffirm the global stability of the rutile structure. We find 75 synthesizable IrO 3 polymorphs and report a previously unknown FeF 3 -type structure as the most stable, termed α-IrO 3 . To test the algorithms performance, we compare to a random search of the candidate space and report at least a 2-fold increase in the rate of discovery. Additionally, the AL approach can acquire the most stable polymorphs of IrO 2 and IrO 3 with fewer than 30 density functional theory optimizations. Analysis of the structural properties of the discovered polymorphs reveals that octahedral local coordination environments are preferred for nearly all low-energy structures. Subsequent Pourbaix Ir–H 2 O analysis shows that α-IrO3 is the globally stable solid phase under acidic OER conditions and supersedes the stability of rutile IrO 2 . Calculation of theoretical OER surface activities reveal ideal weaker binding of the OER intermediates on α-IrO 3 than on any other considered iridium oxide. We emphasize that the proposed AL algorithm can be easily generalized to search for any binary metal oxide structure with a defined stoichiometry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗