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At least 883 records · Page 49

Amazon Forests Response to Droughts: A Perspective from the MAIAC Product

Amazon forests experienced two severe droughts at the beginning of the 21st century: one in 2005 and the other in 2010. How Amazon forests responded to these droughts is critical for the future of the Earth's climate system. It is only possible to assess Amazon forests' response to the droughts in large areal extent through satellite remote sensing. Here, we used the Multi-Angle Implementation of Atmospheric Correction (MAIAC) Moderate Resolution Imaging Spectroradiometer (MODIS) vegetation index (VI) data to assess Amazon forests' response to droughts, and compared the results with those from the standard (Collection 5 and Collection 6) MODIS VI data. Overall, the MAIAC data reveal more realistic Amazon forests inter-annual greenness dynamics than the standard MODIS data. Our results from the MAIAC data suggest that: (1) the droughts decreased the greenness (i.e., photosynthetic activity) of Amazon forests; (2) the Amazon wet season precipitation reduction induced by El Niño events could also lead to reduced photosynthetic activity of Amazon forests; and (3) in the subsequent year after the water stresses, the greenness of Amazon forests recovered from the preceding decreases. However, as previous research shows droughts cause Amazon forests to reduce investment in tissue maintenance and defense, it is not clear whether the photosynthesis of Amazon forests will continue to recover after future water stresses, because of the accumulated damages caused by the droughts.

remote sensing↗

The Influence of Robotic Assistance on Reducing Neuromuscular Effort and Fatigue during Extravehicular Activity Glove Use

The three-layered, pressurized space suit glove worn by Extravehicular Activity (EVA) crew members during missions commonly causes hand and forearm fatigue. The Spacesuit RoboGlove (SSRG), a Phase VI EVA space suit glove modified with robotic grasp-assist capabilities, has been developed to augment grip strength in order to improve endurance and reduce the risk of injury in astronauts. The overall goals of this study were to i) quantify the neuromuscular modulations that occur in response to wearing a conventional Phase VI space suit glove (SSG) during a fatiguing task, and ii) determine the efficacy of Spacesuit RoboGlove (SSRG) in reversing the adverse neuromuscular modulations and restoring altered muscular activity to barehanded levels. Six subjects performed a fatigue sequence consisting of repetitive dynamic-gripping interspersed with isometric grip-holds under three conditions: barehanded, wearing pressurized SSG, and wearing pressurized SSRG. Surface electromyography (sEMG) from six forearm muscles (flexor digitorum superficialis (FDS), flexor carpi radialis (FCR), flexor carpi ulnaris (FCU), extensor digitorum (ED), extensor carpi radialis longus (ECRL), and extensor carpi ulnaris (ECU)) and subjective fatigue ratings were collected during each condition. Trends in amplitude and spectral distributions of the sEMG signals were used to derive metrics quantifying neuromuscular effort and fatigue that were compared across the glove conditions. Results showed that by augmenting finger flexion, the SSRG successfully reduced the neuromuscular effort needed to close the fingers of the space suit glove in more than half of subjects during two types of tasks. However, the SSRG required more neuromuscular effort to extend the fingers compared to a conventional SSG in many subjects. Psychologically, the SSRG aided subjects in feeling less fatigued during short periods of intense work compared to the SSG. The results of this study reveal the promise of the SSRG as a grasp-assist device that can improve astronaut performance and reduce the risk of injury by offsetting neuromuscular effort. Modifications to the experimental protocol are needed, however, to improve the outcome of the neuromuscular fatigue metrics and determine the effectiveness of SSRG in increasing astronaut endurance. Nevertheless, these findings will improve the understanding of astronaut-spacesuit interaction and provide direction toward designing improved spacesuit gloves and robotic-assist devices, like the SSRG.

Madden, Kaci E.↗

Stellar Laboratories

For the spectral analysis of high-resolution and high signal-to-noise (SN) spectra of hot stars, state-of-the-art non-local thermodynamic equilibrium (NLTE) model atmospheres are mandatory. These are strongly dependent on the reliability of the atomic data that is used for their calculation. Aims: To identify molybdenum lines in the ultraviolet (UV) spectra of the DA-type white dwarf G191B2B and the DO-type white dwarf RE 0503289 and, to determine their photospheric Mo abundances, reliable Mo iv-vii oscillator strengths are used. Methods: We newly calculated Mo iv-vii oscillator strengths to consider their radiative and collisional bound-bound transitions indetail in our NLTE stellar-atmosphere models for the analysis of Mo lines exhibited in high-resolution and high SN UV observations of RE 0503289.Results. We identified 12 Mo v and nine Mo vi lines in the UV spectrum of RE 0503289 and measured a photospheric Mo abundance of 1.2 3.0 104(mass fraction, 22 500 56 400 times the solar abundance). In addition, from the As v and Sn iv resonance lines,we measured mass fractions of arsenic (0.51.3 105, about 300 1200 times solar) and tin (1.33.2 104, about 14 300 35 200 times solar). For G191B2B, upper limits were determined for the abundances of Mo (5.3 107, 100 times solar) and, in addition, for Kr (1.1106, 10 times solar) and Xe (1.7107, 10 times solar). The arsenic abundance was determined (2.35.9 107, about 21 53 times solar). A new, registered German Astrophysical Virtual Observatory (GAVO) service, TOSS, has been constructed to provide weighted oscillator strengths and transition probabilities.Conclusions. Reliable measurements and calculations of atomic data are a prerequisite for stellar-atmosphere modeling. Observed Mo v-vi line profiles in the UV spectrum of the white dwarf RE 0503289 were well reproduced with our newly calculated oscillator strengths. For the first time, this allowed the photospheric Mo abundance in a white dwarf to be determined.

Rauch, T.↗

Integrated Multi-Color Light Emitting Device Made with Hybrid Crystal Structure

An integrated hybrid crystal Light Emitting Diode ("LED") display device that may emit red, green, and blue colors on a single wafer. The various embodiments may provide double-sided hetero crystal growth with hexagonal wurtzite III-Nitride compound semiconductor on one side of (0001) c-plane sapphire media and cubic zinc-blended III-V or II-VI compound semiconductor on the opposite side of c-plane sapphire media. The c-plane sapphire media may be a bulk single crystalline c-plane sapphire wafer, a thin free standing c-plane sapphire layer, or crack-and-bonded c-plane sapphire layer on any substrate. The bandgap energies and lattice constants of the compound semiconductor alloys may be changed by mixing different amounts of ingredients of the same group into the compound semiconductor. The bandgap energy and lattice constant may be engineered by changing the alloy composition within the cubic group IV, group III-V, and group II-VI semiconductors and within the hexagonal III-Nitrides.

Park, Yeonjoon↗

First Observations from the SPICE EUV Spectrometer on Solar Orbiter

Aims. We present first science observations taken during the commissioning activities of the Spectral Imaging of the Coronal Environment (SPICE) instrument on the ESA/NASA Solar Orbiter mission. SPICE is a high-resolution imaging spectrometer operating at extreme ultraviolet (EUV) wavelengths. In this paper we illustrate the possible types of observations to give prospective users a better understanding of the science capabilities of SPICE. Methods. We have reviewed the data obtained by SPICE between April and June 2020 and selected representative results obtained with different slits and a range of exposure times between 5 s and 180 s. Standard instrumental corrections have been applied to the raw data. Results. The paper discusses the first observations of the Sun on different targets and presents an example of the full spectra from the quiet Sun, identifying over 40 spectral lines from neutral hydrogen and ions of carbon, oxygen, nitrogen, neon, sulphur, magnesium, and iron. These lines cover the temperature range between 20,000 K and 1 million K (10MK in flares), providing slices of the Sun’s atmosphere in narrow temperature intervals. We provide a list of count rates for the 23 brightest spectral lines. We show examples of raster images of the quiet Sun in several strong transition region lines, where we have found unusually bright, compact structures in the quiet Sun network, with extreme intensities up to 25 times greater than the average intensity across the image. The lifetimes of these structures can exceed 2.5 hours. We identify them as a transition region signature of coronal bright points and compare their areas and intensity enhancements. We also show the first above-limb measurements with SPICE above the polar limb in C III,O VI, and Ne VIII lines, and far off limb measurements in the equatorial plane in Mg IX, Ne VIII, and O VI lines. We discuss the potential to use abundance diagnostics methods to study the variability of the elemental composition that can be compared with in situ measurements to help confirm the magnetic connection between the spacecraft location and the Sun’s surface, and locate the sources of the solar wind. Conclusions. The SPICE instrument successfully performs measurements of EUV spectra and raster images that will make vital contributions to the scientific success of the Solar Orbiter mission

Sun: UV radiation↗

Contractors Road Heavy Equipment Area (SWMU 055) 2021 Annual Groundwater Monitoring Report

This document presents a summary of activities completed at the Contractors Road Heavy Equipment (CRHE) Area, located at Kennedy Space Center (KSC), Florida, from January through December 2021. The activities conducted at the CRHE Area include: - Annual groundwater sampling activities associated with site-wide plume monitoring and Underground Injection Control (UIC) monitoring in the former bioremediation Interim Measures (IM) Hot Spot 1 (HS1) area; - Direct push technology (DPT) groundwater investigation; and - Semi-annual vapor intrusion (VI) evaluation activities. This facility is designated Solid Waste Management Unit (SWMU) Number 055 (SWMU 055) under KSC’s Resource Conservation and Recovery Act Corrective Action program. This report was prepared by HydroGeoLogic, Inc. (HGL) for the National Aeronautics and Space Administration (NASA) under contract number 80KSC019F0096. The annual groundwater sampling results demonstrated that the footprint where chlorinated volatile organic compounds (VOC) are present above their State of Florida groundwater cleanup target levels (GCTLs) is not expanding overall. One non-chlorinated VOC (1,4-dioxane) is found above its GCTL at isolated points within the chlorinated VOC plume. The DPT groundwater investigation is being used to delineate the horizontal and vertical boundaries where chlorinated VOCs are present at levels above natural attenuation default concentrations. That data supports an evaluation of potential additional remedial actions. The potential for VI into the CRHE Area Office (K6-1996H) is evaluated by collected sub-slab vapor samples from four locations twice a year (once in the wet season and once in the dry season). The results for 2021 were all below the Environmental Protection Agency's vapor intrusion screening levels (VISLs) for both commercial and residential settings. The path forward for the site is to continue annual monitoring for chlorinated VOCs and 1,4-dioxane until additional remedies are implemented or the site is transitioned to long-term monitoring.

Contractors Road Heavy Equipment↗

Information and Best Practices Related to NASA Nuclear Flight Safety for Space Flights Involving Space Nuclear Systems

The purpose of this handbook is to facilitate a repeatable and robust process that promotes clear and effective interfaces between activities and stakeholders focused on meeting nuclear flight safety requirements for missions utilizing space nuclear systems (SNS), within the context of NASA’s broader nuclear-related activities and interfaces. NPR 8715.26, Nuclear Flight Safety, requires that the NASA project manager “incorporate nuclear flight safety considerations starting with program or project formulation through the point at which the SNS or other radioactive material no longer has the potential to affect Earth’s biosphere.” NASA’s use of SNS inherently involves partnering with other stakeholders to conduct a range of related activities that interface with nuclear flight safety. From a categorical perspective these include: (i) meeting the authorities and licensing requirements for possession and use of nuclear material, as governed by other Federal authorities; (ii) conducting National Environmental Policy Act (NEPA) activities for nuclear-enabled missions; (iii) meeting Federal nuclear launch authorization requirements; (iv) conducting radiological contingency planning activities, including those associated with international commitments; (v) performing risk communication and public outreach activities; and (vi) ensuring decommissioning and disposal strategies reflect National policies and interests. It is the intent of this handbook to promote an effective interface between nuclear flight safety and these interrelated categorical activities. In addition to activities undertaken with partnering agencies, there are individual nuclear-related activities and programs that have a nexus to nuclear flight safety, and these include: (i) applicable NASA Standing Review Boards; (ii) the US Department of Energy nuclear safety activities conducted in partnership with NASA under Memoranda of Understanding; (iii) the Department of Defense’s Range Safety activities; (iv) NASA’s general involvement in interagency and international dialogues regarding nuclear safety; (v) the NASA-administered Interagency Nuclear Safety Review Board; (vi) NASA’s program and project governance activities and nuclear-specific Technical Discipline Team activities under the Office of the Chief Engineer; and others. It is the intent of this handbook to promote effective leveraging of these additional interrelated organizational activities, as appropriate.

Donald Helton↗

Colossal Grains for a New Structural Paradigm in Thin-Film Photovoltaics

II-VI based thin-film photovoltaics (PV) have experienced substantial commercial success on a foundation of fast large-scale deposition and processing. This type of processing, regardless of material type, nearly always results in small grain (nm to several um diameters) polycrystalline material that, if not for effective grain boundary (GB) and defect passivation, would severely limit PV performance. In the case of CdTe based PV technology, the nearly ubiquitous CdCl2 treatment is used, in part, to passivate the polycrystalline p-type absorber even though Cl is known to (and used to) compensate p-type II-VI materials. Given that VOC is still the most limited performance metric and it can only be improved through higher p-type absorber concentrations, CdCl2 treatments may be holding the technology back. In this talk, we will discuss results related to a process by which small grain CdSeTe material is rapidly transformed into very large grain material (100-1000um diameters, Fig. 1a). This explosive recrystallization, which we have termed colossal grain growth (CGG), occurs by a Cl free process with thin films (<10um) deposited using the same fast deposition techniques the industry has relied on for more than a decade. Our modeling suggests that GB recombination becomes significantly less important at these grain sizes and thus may eliminate the need for a CdCl2 treatment. This result is complimented by previous results of epitaxial growth at high rates on single crystal seed layers. Thin CdSeTe CGG seed layers can be used for rapid epitaxy of CdTe to complete a standard device stack (Fig.1b). This is an optimistic view and the current limitations and challenges related to this process and these materials will also be discussed, including alloy and substrate roughness sensitivity, intragrain material quality, and complex defect chemistry. These challenges are not insignificant but overcoming them may enable a new structural paradigm for thin-film PV.

CdTe↗

Study of an Unrefined Humate Solution as a Possible Attenuation-based Remedy for Uranium Contamination in Acidic Groundwater - 20351

The Savannah River Site (SRS), joined the environmental cleanup program in 1981 after the Cold War, and was designated as a hazardous waste management facility. About 1.8 billion gallons of acid wastes were disposed into the F/H Area Seepage Basin that included many radionuclides and dissolved metals, resulting in highly contaminated groundwater plumes with pH of 3 - 5.5. The acidity of the plumes contributes to the mobility of several constituents of concern (COC) such as H-3, U-238, I-129, and Sr-90 for the F-Area plume and H-3, Sr-90 and mercury for the H-Area plume. An active treatment (pump-and-treat and re-injection) system was constructed and put in place in 1997 to address the removal of metals and radionuclides from the contaminated groundwater. As remediation projects advanced, active treatments were transitioned to more passive or enhanced-passive approaches such as the subsurface barrier with base injection system, which has been controlling the mobility of contaminants. However, new and more efficient attenuation-based remedies are always sought. Several studies have proposed that humic substances can be used to remediate sites contaminated with heavy metals by creating a permeable reactive barrier. Humic substances (HS) are major components of soil organic matter. HS are polyfunctional organic macromolecules formed by the chemo-microbiological decomposition of biomass or dead organic matter. These substances are usually divided into three main fractions: humin (insoluble at all pH values), humic acid (soluble at pH greater than 3.5), and fulvic acid (soluble at all pH values). Humic substances are major components of the soil at SRS and, in addition, are also helpful in the removal process of uranium. This research focuses on uranium (VI), which is a key contaminant of concern in the F-Area groundwater plume. The interaction of uranium with sediment in the presence or absence of humic substances involves complex mechanisms that are not yet well understood. The interaction of U(VI) with humic substances can affect the adsorption of U on sediment, altering its mobility in the subsurface. The objective of this study is to study the mobility of uranium in the presence of humic acid and to determine if sediments amended by humic acid can enhance the sorption of heavy metals onto sediments. In this research, experiments were conducted using background (clean) F-Area aquifer sediments to understand and predict uranium mobility. A blended material, humate, containing both humic and fulvic acids and a chemically modified humate (KW15 modified humic or mod-HA) was studied as a possible amendment for uranium remediation in SRS groundwater. Batch experiments were conducted in triplicates using 20 ml of aqueous suspension in DI water containing SRS sediment and mod-HA and studied the effect of pH, kinetics of humate sorption onto SRS sediment and also studied the sorption of uranium onto mod-HA amended SRS sediment. Results indicate that mod-HA amended sediment increases uranium removal significantly. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Analysis of Hydrology and Interim Measure Performance in the Chromium Plume at Los Alamos National Laboratory - 20498

Hexavalent chromium, Cr(VI), is present in the regional aquifer beneath Los Alamos National Laboratory (LANL) at concentrations greater than the New Mexico groundwater standard (50 ppb). The source of the Cr is blowdown from a power plant where potassium dichromate was used as a corrosion inhibitor from 1956 to 1972. Blowdown comingled with effluent from another source and migrated approximately 3 miles down a canyon, primarily as surface flow, until reaching an alluvial infiltration zone. The infiltrating water moved vertically through a thick (approximately 900 ft), complex stratigraphic sequence of unsaturated tuffs, basalt, and unconsolidated alluvial deposits. Horizontal transport also took place within spatially limited perched groundwater horizons in the vadose zone (VZ). Breakthrough at the regional aquifer water table is thought to have occurred in multiple hydraulic windows or 'drip points' located approximately 3 miles from the initial release site at the power plant. The regional aquifer is highly heterogeneous and anisotropic, and displays unconfined behavior in an upper zone and confined behavior at depth. The Cr(VI) contamination has so far remained confined to the upper approximately 25 m of the aquifer. The ambient hydraulic gradient in the regional aquifer is toward the east/southeast, but the water table is extremely flat in the Cr plume area compared to surrounding areas. There is some local variability in flow direction, potentially related to effects of seasonal pumping from nearby Los Alamos county water-supply wells, which draw from the regional aquifer several hundred feet below the water table. An interim measure (IM) is currently operating at the site to achieve hydraulic control of plume migration using a series of extraction wells, ion-exchange treatment, and injection along the downgradient portion of the plume. The migration of Cr contamination in the aquifer has been previously evaluated using a calibrated probabilistic numerical model, which has also been used to design the spatial configuration of extraction and injection wells for the IM, and to identify locations for monitoring wells. The model is built using the Finite Element Heat and Mass (FEHM) transfer code, and the Model Analysis and Decision Support (MADS) software is used for analyses. To date, the portion of the IM system that has operated in a continuous manner has been very effective at hydraulic control. Modifications to the flow field associated with the influence of IM pumping and injection are evaluated here, with modeling constraints to be provided by recent observations of tracers injected into both monitoring wells and IM injection wells, as well as opportunistic observations of geochemical signatures of treated ion-exchange effluent injected into IM injection wells. The tracer and geochemical data provide insights into modified flow directions within the Cr plume area that cannot be otherwise obtained. Results of the modeling work are being used to inform adaptive management of IM operations and will be a valuable tool for development and refinement of long-term remediation strategies. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Experimental Evaluation of a High-Performance Cold-Climate Heat Pump Using Tandem Vapor-Injection Compressors

A high-performance cold-climate heat pump (CCHP) was developed and experimentally validated through comprehensive laboratory and field testing. The system utilized two equal-size tandem vapor-injection (VI) compressors with an inter-stage flash tank to improve efficiency and capacity retention under subfreezing conditions. Laboratory testing was conducted on a 3-ton prototype in a controlled environmental chamber equipped with calibrated thermocouples, refrigerant-side mass flow and pressure transducers, and precision airflow measurement for energy balance verification. The prototype achieved heating coefficients of performance (COPs) of 4.4 at 47 °F, 3.1 at 17 °F, and 2.0 at –13 °F, while maintaining 88% of its rated heating capacity at –13°F. These results confirm strong low-temperature performance and indicate the potential for significant reductions in electric resistance backup use. A field prototype was installed and monitored in a residential building in Fairbanks, Alaska, during a heating season. Instrumentation included real-time power, temperature, and refrigerant state measurements to evaluate performance under dynamic outdoor conditions. The heat pump operated reliably down to –30 °F, delivering 75% of its rated heating capacity with a COP of 1.8, while maintaining stable operation, effective defrost control, and indoor comfort without auxiliary heating. The combined laboratory and field results demonstrate that the tandem VI compressor configuration provides a practical and energy-efficient approach for residential heat pumps designed for cold and very cold climate regions.

Hu, Yifeng [ORNL] (ORCID:0000000242875185)↗

A phased workflow to define permit‐ready locations for large volume CO 2 injection and storage

Abstract To‐date, only two UIC Class VI permits have been issued by the US Environmental Protection Agency. We illustrate a four‐phase workflow to first identify regional storage resources and then down‐select sites to yield permit‐ready locations that can accept and store large volumes of CO 2 . Specific permit requirements should guide objectives and define deliverables of respective workflow phases. In the first phase we used available regional data and screened structure and injection zones to locate resources that match CO 2 volumes planned to be captured. Available data were also used to assess presence and depth of usable groundwater, the key resource being protected via permitting. We then used advanced, closed‐form, analytical solutions (EASiTool) to estimate CO 2 injectivity into each hydrologically connected injection compartment. In the second phase we acquired and conditioned additional wireline logs and leased available seismic datasets. We interpreted the depositional systems from wireline well‐log character and mapped sandbody geometry to interpolate injection and confining‐zone distribution. Using available data, we mapped faults and locations of freshwater and overpressure (or other capacity‐limiting geologic parameters) in more detail. In the third phase, we used the augmented geologic data to develop a static model for the selected area, extracted the areas of highest interest, and generated and ran dynamic (flow) models. In a fourth phase, we reduced major uncertainties identified in earlier phases. Our case study indicates that to complete preparation of a permit application requires (1) improved lithologic characterization information (thicknesses and horizontal and vertical connectivity) and (2) better definition of poorly defined local faults. © 2023 The Authors. Greenhouse Gases: Science and Technology published by Society of Chemical Industry and John Wiley & Sons Ltd.

58 GEOSCIENCES↗

The criteria in above-bandgap photo-irradiation in molecular beam epitaxy growth of heterostructure of dissimilar growth temperature

Above-bandgap photo-irradiation is known to improve the low temperature growth of II-VI semiconductors, but the trade-offs in the substrate temperature and light source power density are not well known. We investigated these effects on the growth of ZnSe epilayers on GaAs. Here, we find that the above-bandgap photo-irradiation can improve the ZnSe epilayer without substantially negatively impacting the underlying GaAs epilayer only if the laser energy is below a threshold intensity. When the threshold is exceeded, the growth rate drops, the optical properties of ZnSe layer deteriorate and interface intermixing is enhanced. Together, cross-sectional transmission electron microscopy, energy dispersive spectroscopy and photoluminescence results suggest that photo-irradiation at moderate to high laser energies produces a trade-off in interface intermixing and planar defect formation. Most importantly, the damage produced by high laser energies does not start at the interface but instead in the bulk. Further flexibility for selecting the temperature and photo-irradiation intensities could be realized by turning on the laser irradiation after the ZnSe growth has been initiated, limiting the potential intermixing at the interface.

36 MATERIALS SCIENCE↗

Large-Eddy Simulation of a wind turbine using a Filtered Actuator Line Model

When dealing with multirotor devices such as quadcopters or wind farms, the cost of blade-resolved large-eddy simulation (LES) becomes prohibitive. Combining LES with a family of lower-fidelity models, called actuator line models (ALMs), has grown in popularity in the past decade. ALM replaces full blade resolution with an array of actuator points or lines parameterized by aerodynamic lift/drag polar plots along the blades. Body forces computed based on these actuator points are then projected onto the LES flow mesh, mimicking the effect of rotating blades on the flow. However, the optimal projection radius and the associated LES grid size is often too restrictive for multirotor simulations. Recently, a new tip-correction-based filtered ALM (F-ALM) was proposed by Martinez-Tossas and Meneveau (2019), which allows coarser-than-optimal grids by avoiding the associated overprediction of thrust. In this work, F-ALM is implemented into a high-order, in-house LES code to simulate National Renewable Energy Laboratory Phase VI wind turbine. It is then followed by a comparison between the baseline ALM and the newly implemented F-ALM in terms of instantaneous and time-averaged flow fields and blade loads, revealing the advantages of F-ALM in preventing the overprediction of power on coarse grids. Finally, this encourages accurate and affordable simulations of multirotor devices in the future.

17 WIND ENERGY↗

Multiple oxidation states of uranium stabilized by an O , N , O -ligand

Elements of the 5f row maintain a wide variety of oxidation states that have been exploited in synthesis, catalysis, and separations. Herein, we describe the complexation of an O,N,O chelator, ExPh, with uranium in the (IV) and (VI) (uranyl) oxidation states. These two uranium complexes, U(IV)ExPh and UO 2 ExPh, respectively, were characterized in the solid state via single-crystal X-ray diffraction (SC-XRD) analysis. Electrochemical studies using cyclic voltammetry were employed to investigate the multiple redox events associated with the U(IV) complex. Spectro-electrochemical analysis of U(IV)ExPh provided spectroscopic evidence of a stable U(V) species. Chemical oxidation of U(IV)ExPh allowed isolation of the U(V) complex, U(V)ExPh. All three stable uranium complexes produced in this study were characterized via IR, UV-vis and NMR spectroscopies, and micro-spectrophotometry. On the other hand, efforts to reduce U(IV)ExPh to the corresponding U(III) species or produce this putative complex directly from ExPh failed to yield an isolable product. The stabilization of three formal oxidation states of uranium, coupled with previous lanthanide-row results, paves the way for studies of ExPh and its analogues in minor actinide chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A subcellular biochemical model for T6SS dynamics reveals winning competitive strategies

Abstract The type VI secretion system (T6SS) is a broadly distributed interbacterial weapon that can be used to eliminate competing bacterial populations. Although unarmed target populations are typically used to study T6SS function in vitro, bacteria most likely encounter other T6SS-armed competitors in nature. However, the connection between subcellular details of the T6SS and the outcomes of such mutually lethal battles is not well understood. Here, we incorporate biological data derived from natural competitors of Vibrio fischeri light organ symbionts to build a biochemical model for T6SS at the single-cell level, which we then integrate into an agent-based model (ABM). Using the ABM, we isolate and experiment with strain-specific physiological differences between competitors in ways not possible with biological samples to identify winning strategies for T6SS-armed populations. Through in vitro experiments, we discover that strain-specific differences exist in T6SS activation speed. ABM simulations corroborate that faster activation is dominant in determining survival during competition. Once competitors are fully activated, the energy required for T6SS creates a tipping point where increased weapon building and firing becomes too costly to be advantageous. Through ABM simulations, we identify the threshold where this transition occurs in the T6SS parameter space. We also find that competitive outcomes depend on the geometry of the battlefield: unarmed target cells survive at the edges of a range expansion where unlimited territory can be claimed. Alternatively, competitions within a confined space, much like the light organ crypts where natural V. fischeri compete, result in the rapid elimination of the unarmed population.

59 BASIC BIOLOGICAL SCIENCES↗

Anomalous Auger Recombination in PbSe

Using first-principles approaches we find that the Auger recombination in PbSe is anomalous in three distinct ways. First, the direct Auger coefficient is 4 orders of magnitude lower than that of other semiconductors with similar band gaps, a result that can be attributed to the lack of involvement of a heavy-hole band. Second, phonon-assisted indirect Auger recombination prevails, contrary to the common belief that direct Auger is dominant in narrow-gap semiconductors. Third, an unexpectedly weak temperature dependence of the Auger coefficient is observed, which we can now attribute to the indirect nature of the Auger process. The widely accepted explanation of this behavior in terms of an unusual temperature dependence of the band gap is only a secondary effect. Furthermore, our results elucidate the mechanisms underlying the anomalous Auger recombination in IV-VI semiconductors in general, which is critical for understanding and engineering carrier transport.

36 MATERIALS SCIENCE↗

SECARB-USA: Needs Assessment Framework for Storage Complexes (Task 2.1.b)

A team of SECARB storage experts examined 63 formations at 39 sites that were selected to represent the range of diversity of newly assessed, as well as well-advanced, storage prospects in the SECARB region. We inventoried the data needs triggered by the requirements to obtain a Class VI UIC storage permit, the data needs that results from the requirement to create geocellular fluid flow models to support that permit, and by pragmatic and best practice inputs such as public acceptance, regulatory readiness, and pore space leasing. We anchored both the needs inventory and the processes for and cost of meeting the needs with data from 9 sites in in the SECARB area that have advanced far in characterization. Results show that the total cost of characterization prior to obtaining a permit is convergent, because the permit and modeling requirements drive projects to obtain the same types of data for all cases. The high cost data that control cost are 1) drilling, coring, core-testing, logging, sampling and testing a characterization well and 2) collection of a 3-D seismic survey to map reservoir and confining system properties over the area of the plume or the area of elevated pressure. In 5 of our case study sites we determined that one or both of these costs could be avoided because the needs are met by available data.

54 ENVIRONMENTAL SCIENCES↗