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Temporal persistence of postfire flood hazards under present and future climate conditions in southern Arizona, USA

Changes to soil hydraulic properties that reduce infiltration capacity following fire can increase flash flood risks. These risks are exacerbated by rainfall intensification associated with a warming climate. However, the potential effects of climate-change-driven rainfall intensification on postfire floods remain largely unexplored. Using rainfall and runoff observations from a 49.4 km 2 watershed in southern Arizona, USA, and a hydrologic model (KINEROS2), we examined the temporal evolution following a historic fire of three crucial hydrologic parameters: soil saturated hydraulic conductivity (K sp ), net capillary drive (G p ), and hydraulic roughness (n c ). We explored how the effect of fire on these parameters may influence peak flow under future climate scenarios derived from CMIP6, specifically the medium emissions scenario (SSP2-4.5) and high emissions scenario (SSP5-8.5). Results demonstrate an increase in K sp from 11 mm h −1 in the first postfire year to 60 mm h −1 in postfire year 3. G p similarly increased from 19 mm in the first postfire year to 30 mm in the third, while nc was relatively constant. The highest simulated Q p occurred in the first postfire year. Under the SSP2-4.5 scenario, the likelihood of a 100-year flood is projected to be twice as large by the middle of the century relative to its historical magnitude. Simulations further indicate that the maximum expected discharge associated with a postfire flood, as derived from historical data, could be triggered by a 10-year rainstorm under the SSP5-8.5 scenario by the late century. Simulations also demonstrate that rainfall intensification will lead to greater persistence of elevated flood hazards following fire by the late century under both the SSP2-4.5 and the SSP5-8.5 scenarios.

54 ENVIRONMENTAL SCIENCES↗

An organogel library for solution NMR analysis of nanoparticle suspensions in non-aqueous samples

Surface contrast solution NMR methods (scNMR) are emerging as powerful tools to investigate the adsorption of small molecule ligands to the surface of nanoparticles (NP), returning fundamental insight into the kinetics and thermodynamics of sorption, as well as structural information on the adsorbed species. A prerequisite for the acquisition of high quality solution NMR data is the preparation of homogeneous and stable samples that return consistent NMR spectra and allow extensive signal averaging. Unfortunately, this condition does not apply to NMR samples containing NPs that often show a tendency to sediment and accumulate at the bottom of the NMR tube over the course of the experiment. We have recently shown that preparing NMR samples in an agarose gel matrix inhibits sedimentation and allows the characterization of small molecule-NP interactions by scNMR. Unfortunately, as the agarose gel only forms in aqueous solution, this sample preparation method cannot be used to stabilize NP suspensions in a non-aqueous environment. In this work, we introduce a library of 48 organogels, based on low molecular-mass organic gelators (LMOGs), to prepare NMR samples of small molecule/NP systems in a wide range of organic solvents. In addition, we present a simple method that takes advantage of 1H transverse relaxation (1H-R2) measurements to screen the library and identify the best gelator to characterize the small molecule-NP interaction of interest in the solvent of choice. We expect the results of this study will enable the preparation of homogeneous and stable samples of NPs in non-aqueous environments, therefore dramatically increasing the applicability of scNMR to the characterization of heterogeneous interactions and to the investigation of the role played by solvent molecules in regulating the kinetics and thermodynamics of sorption.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Controllable Solar Flux Heating for Freeze Recovery in Molten Salt Parabolic Trough Collectors

In molten-salt parabolic trough plants, the melting process is particularly important for freeze recovery of salt that is solidified in a collector loop, should such an event occur. Currently impedance heating is expected for freeze recovery of the collector loops, but this method can be expensive. Here, a lower-cost alternative is proposed to use controllable concentrated solar flux directly from the parabolic mirrors to thaw salt that is frozen in the collector. A computational fluid dynamics model was developed to explore the solidification and melting processes of molten salt in a parabolic trough receiver and to assess the viability of this concept. Results indicate that concentrated solar heating has the potential to melt frozen salt in 5.6 h, compared to that in 8.8 h for a 300 W m –1 impedance heating system. At the same time, controllable solar flux heating introduces nonuniform solar fluxes on the receiver surface, which can induce significant thermal stress on the receiver tube. A preliminary stress analysis indicates that the temperature difference across the receiver tube should be maintained below about 70 °C for heating up to 300 °C at internal pressures ≤10 bar. At these conditions, freeze recovery using solar flux heating will not significantly affect receiver lifetime. These results suggest that controllable solar flux heating could effectively supplement or replace impedance heating in the freeze recovery system. Incorporating this methodology in future parabolic trough concentrating solar power plants is an opportunity for capital and operational cost-savings.

14 SOLAR ENERGY↗

AGR Irradiated Specimen Air/Moisture Heating Test Plan

The Advanced Gas Reactor (AGR) program has a need to perform high-temperature oxidation testing of tristructural isotropic (TRISO)-coated particle fuel and reactor core materials to evaluate their performance under conditions relevant to air- and moisture-ingress events in high-temperature gas-cooled reactors (HTGRs). The objectives of these tests are to assess the impact of oxidizing environments on fission product release from exposed fuel kernels, compact matrix, and nuclear grade graphite, and to determine the impact of oxidizing environments on TRISO coating integrity. The program is currently developing a capability for testing irradiated fuel, matrix, and graphite specimens inside a hot cell. The Air/Moisture Ingress Experiment (AMIX) system will be capable of temperatures up to 1650°C in atmospheres containing oxygen or moisture with varying concentrations. The system will be capable of collecting fission gases as well as condensable fission products, in order to quantify total released inventory from the heated specimens. A basis for establishing experimental test matrices, and the test matrices themselves, are presented in this document. This includes considerations on specific objectives for the tests, types of oxidizing environments that should be tested, and the expected availability of irradiated specimens from the various AGR program irradiation experiments. This document only briefly discusses post-test analysis of the heated specimens, and it is recognized that in many cases the post-test analysis may be extensive. It is expected that this will be a “living” document, subject to revision as data are collected and scoping calculations are performed.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Many-body reactive force field development for carbon condensation in C/O systems under extreme conditions

In this paper, we describe the development of a reactive force field for C/O systems under extreme temperatures and pressures, based on the many-body Chebyshev Interaction Model for Efficient Simulation (ChIMES). The resulting model, which targets carbon condensation under thermodynamic conditions of 6500 K and 2.5 g cm –3 , affords a balance between model accuracy, complexity, and training set generation expense. We show that the model recovers much of the accuracy of density functional theory for the prediction of structure, dynamics, and chemistry when applied to dissociative condensed phase systems at 1:1 and 1:2 C:O ratios, as well as molten carbon. Our C/O modeling approach exhibits a 104 increase in efficiency for the same system size (i.e., 128 atoms) and a linear system size scalability over standard quantum molecular dynamics methods, allowing the simulation of significantly larger systems than previously possible. We find that the model captures the condensed-phase reaction-coupled formation of carbon clusters implied by recent experiments, and that this process is susceptible to strong finite size effects. Overall, we find the present ChIMES model to be well suited for studying chemical processes and cluster formation at pressures and temperatures typical of shock waves. We expect that the present C/O modeling paradigm can serve as a template for the development of a broader high pressure–high temperature force-field for condensed phase chemistry in organic materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Transformational Natural Gas Fueled Dynamic SOFC for Data Center in-Rack Power (Final Technical Report)

Data centers consume 250TWh or 1% of global electricity use in 2019. This electricity demand is expected to grow exponentially in the future. The current data center power supply relies on electric grids with diesel engines and batteries as backup; the latter is critically important because a sudden loss of power could erase crucial data, causing catastrophic economic loss. However, such a double protection architecture is costly, inefficient and polluting. In search for better in-rack power system, fuel-cell based generators have recently emerged as a promising alternative to diesel engines and batteries because of its potential to be more cost-effective, more efficient and less polluting. Among many types of fuel cells, solid oxide fuel cells stand out to be a front runner because of their ability to directly operate on natural gas that has an existing infrastructure. However, there are several critical challenges facing SOFC generators to meet the rigorous power requirements of data centers: high cost, poor reliability and more importantly, slow response to the datacenters’ dynamic load change. The unexpected overload conditions in data centers can cause fuel starvation; the latter can initiate microcracks in the anode structure, thus jeopardizing the lifetime of the SOFC generator. The current efforts to increase transient power capabilities of traditional SOFCs and therefore protect SOFC stacks from internal damage during transient loading, rely primarily upon mathematical algorithms. One of the challenges to these control methodologies is the physical limitations of the fuel delivery system such as slow response of mass flow controllers to fast power demand.

30 DIRECT ENERGY CONVERSION↗

How do drought and heat affect the response of soybean seed yield to elevated O 3 ? An analysis of 15 seasons of free–air O 3 concentration enrichment studies

The coincidence of rising ozone concentrations ([O 3 ]), increasing global temperatures, and drought episodes is expected to become more intense and frequent in the future. A better understanding of the responses of crop yield to elevated [O 3 ] under different levels of drought and high temperature stress is, therefore, critical for projecting future food production potential. Using a 15-year open-air field experiment in central Illinois, we assessed the impacts of elevated [O 3 ] coupled with variation in growing season temperature and water availability on soybean seed yield. Thirteen soybean cultivars were exposed to a wide range of season-long elevated [O 3 ] in the field using free-air O 3 concentration enrichment. Elevated [O3] treatments reduced soybean seed yield from as little as 5.3% in 2005 to 35.2% in 2010. Although cultivars differed in yield response to elevated [O 3 ] (R), ranging from 17.5% to –76.4%, there was a significant negative correlation between R and O 3 dosage. Soybean cultivars showed greater seed yield losses to elevated [O 3 ] when grown at drier or hotter conditions compared to wetter or cooler years, because the hotter and drier conditions were associated with greater O 3 treatment. However, year-to-year variation in weather conditions did not influence the sensitivity of soybean seed yield to a given increase in [O 3 ]. Collectively, this study quantitatively demonstrates that, although drought conditions or warmer temperatures led to greater O 3 treatment concentrations and O 3 -induced seed yield reduction, drought and temperature stress did not alter soybean's sensitivity to O 3 . Our results have important implications for modeling the effects of rising O 3 pollution on crops and suggest that altering irrigation practices to mitigate O 3 stress may not be effective in reducing crop sensitivity to O 3 .

60 APPLIED LIFE SCIENCES↗

Data for: Patel et al. Carbon flux estimates are sensitive to data source: A comparison of field and lab temperature sensitivity data

This dataset contains data and code used for the paper "Carbon flux estimates are sensitive to data source: A comparison of field and lab temperature sensitivity data" [DOI COMING SOON]A large literature exists on mechanisms driving soil production of the greenhouse gases CO2 and CH4. Measurements of these gases’ fluxes are often performed using closed-chamber incubations in the laboratory or in situ, i.e., in the field. Although it is common knowledge that measurements obtained through field studies vs. laboratory incubations can diverge because of the vastly different conditions of these environments, few studies have systematically examined these patterns. It is crucial to understand the magnitude and reasons for any differences, as these data are used to parametrize and benchmark ecosystem- to global-scale models, which are then susceptible to the biases of the source data. Here, we specifically examine how greenhouse gas measurements may be influenced by whether the measurement/incubation was conducted in the field vs. laboratory, focusing on CO2 and CH4 measurements. We use Q10 of greenhouse gas flux (temperature sensitivity) for our analyses, because of the ubiquity of this metric in biological and Earth system sciences and its importance to many modeling frameworks. We predicted that laboratory measurements would be less variable, but also less representative of true field conditions. However, there was greater variability in the Q10 values calculated from lab-based measurements of CO2 fluxes, because lab experiments explore extremes rarely seen in situ, and reflect the physical and chemical disturbances occurring during sampling, transport, and incubation. Overall, respiration Q10 values were significantly greater in laboratory incubations (mean = 4.19) than field measurements (mean = 3.05), with strong influences of incubation temperature and climate region/biome. However, this was in part because field measurements typically represent total respiration (Rs), whereas lab incubations typically represent heterotrophic respiration (Rh), making direct comparisons difficult to interpret. Focusing only on Rh-derived Q10, these values showed almost identical distributions across laboratory (n = 1110) and field (n = 581) experiments, providing strong support for using the former as an experimental proxy for the latter, although we caution that geographic biases in the extant data make this conclusion tentative. Due to a smaller sample size of CH4 Q10 data, we were unable to perform a comparable robust analysis, but we expect similar interactions with soil temperature, moisture, and environmental/climatic variables. Our results here suggest the need for more concerted efforts to document and standardize these data, including sample and site metadata. This dataset contains a compressed (.zip) archive of the data and R scripts used for this manuscript. The dataset includes files in .csv format, which can be accessed and processed using MS Excel or R. This archive can also be accessed on GitHub at https://github.com/kaizadp/field_lab_q10 (DOI: 10.5281/zenodo.7106554).

54 ENVIRONMENTAL SCIENCES↗

Higher than expected N 2 O emissions from soybean crops in the Pampas Region of Argentina: Estimates from DayCent simulations and field measurements

In developing countries, agriculture generally represents a large fraction of GHG emissions reported in National Inventories, and emissions are typically estimated using Tier 1 IPCC guidelines. However, field data and locally adapted simulation models can improve the accuracy of IPCC estimations. In this report we aimed to quantify anthropogenic N2O emissions from croplands of Argentina through field measurements, model simulations and IPCC guidelines. Here we measured N 2 O emissions and their controlling factors in 62 plots of the Pampas Region with corn, soybean and wheat/soybean crops and in unmanaged grasslands. We accounted for gross emissions from crops and background emissions from unmanaged grasslands to calculate net anthropogenic emissions from crops as the difference between them. We calibrated and evaluated the DayCent model and then simulated different weather and management scenarios. Finally, we applied IPCC guidelines to estimate anthropogenic N 2 O emissions at the same plots. The DayCent model accurately simulated annual N 2 O emission for all crops as compared to measured data (RMSE = 1.4 g N ha -1 day -1 ). Measured and simulated emissions in soybean crops were higher than in corn and wheat/soybean crops. Gross N 2 O emissions ranged from 1.4 to 5.1 kg N ha -1 yr -1 for current environmental (soil and weather) and management (crops and fertilizer doses) conditions. Background emissions ranged between 1.1 and 1.3 kg N ha -1 yr -1 , and therefore net anthropogenic emissions ranged from 0.3 to 4.0 kg N ha-1 yr -1 . IPCC Tier 1 emission factors underestimated N2O releases from soybean, that were on average 4.87 times greater when estimated with DayCent and observations (0.53 vs 2.47 and 2.69 kg N ha -1 yr -1 , respectively). On the contrary, IPCC estimates for corn and wheat/soybean crops were similar to modeled and measured values. Our results suggest that N 2 O emissions from the vast 15 million ha of soybean croplands in the Pampas Region may be substantially underestimated.

59 BASIC BIOLOGICAL SCIENCES↗

DESI Early Data Release Milky Way Survey value-added catalogue

We present the stellar value-added catalogue based on the Dark Energy Spectroscopic Instrument (DESI) Early Data Release. The catalogue contains radial velocity and stellar parameter measurements for $\simeq$ 400 000 unique stars observed during commissioning and survey validation by DESI. These observations were made under conditions similar to the Milky Way Survey (MWS) currently carried out by DESI but also include multiple specially targeted fields, such as those containing well-studied dwarf galaxies and stellar streams. The majority of observed stars have $16\lt r\lt 20$ with a median signal-to-noise ratio in the spectra of $\sim$ 20. In the paper, we describe the structure of the catalogue, give an overview of different target classes observed, as well as provide recipes for selecting clean stellar samples. We validate the catalogue using external high-resolution measurements and show that radial velocities, surface gravities, and iron abundances determined by DESI are accurate to 1 km s −1 , 0.3 dex, and $\sim$ 0.15 dex respectively. We also demonstrate possible uses of the catalogue for chemo-dynamical studies of the Milky Way stellar halo and Draco dwarf spheroidal. The value-added catalogue described in this paper is the very first DESI MWS catalogue. The next DESI data release, expected in less than a year, will add the data from the first year of DESI survey operations and will contain approximately 4 million stars, along with significant processing improvements.

Galaxy: general↗

Prognostics and Health Management in Nuclear Power Plants: An Updated Method-Centric Review With Special Focus on Data-Driven Methods

In a carbon-constrained world, future uses of nuclear power technologies can contribute to climate change mitigation as the installed electricity generating capacity and range of applications could be much greater and more diverse than with the current plants. To preserve the nuclear industry competitiveness in the global energy market, prognostics and health management (PHM) of plant assets is expected to be important for supporting and sustaining improvements in the economics associated with operating nuclear power plants (NPPs) while maintaining their high availability. Of interest are long-term operation of the legacy fleet to 80 years through subsequent license renewals and economic operation of new builds of either light water reactors or advanced reactor designs. Recent advances in data-driven analysis methods—largely represented by those in artificial intelligence and machine learning—have enhanced applications ranging from robust anomaly detection to automated control and autonomous operation of complex systems. The NPP equipment PHM is one area where the application of these algorithmic advances can significantly improve the ability to perform asset management. This paper provides an updated method-centric review of the full PHM suite in NPPs focusing on data-driven methods and advances since the last major survey article was published in 2015. The main approaches and the state of practice are described, including those for the tasks of data acquisition, condition monitoring, diagnostics, prognostics, and planning and decision-making. Research advances in non-nuclear power applications are also included to assess findings that may be applicable to the nuclear industry, along with the opportunities and challenges when adapting these developments to NPPs. Finally, this paper identifies key research needs in regard to data availability and quality, verification and validation, and uncertainty quantification.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Representativeness assessment of the pan-Arctic eddy covariance site network and optimized future enhancements

Abstract. Large changes in the Arctic carbon balance are expected as warming linked to climate change threatens to destabilize ancient permafrost carbon stocks. The eddy covariance (EC) method is an established technique to quantify net losses and gains of carbon between the biosphere and atmosphere at high spatiotemporal resolution. Over the past decades, a growing network of terrestrial EC tower sites has been established across the Arctic, but a comprehensive assessment of the network's representativeness within the heterogeneous Arctic region is still lacking. This creates additional uncertainties when integrating flux data across sites, for example when upscaling fluxes to constrain pan-Arctic carbon budgets and changes therein. This study provides an inventory of Arctic (here > = 60∘ N) EC sites, which has also been made available online (https://cosima.nceas.ucsb.edu/carbon-flux-sites/, last access: 25 January 2022). Our database currently comprises 120 EC sites, but only 83 are listed as active, and just 25 of these active sites remain operational throughout the winter. To map the representativeness of this EC network, we evaluated the similarity between environmental conditions observed at the tower locations and those within the larger Arctic study domain based on 18 bioclimatic and edaphic variables. This allows us to assess a general level of similarity between ecosystem conditions within the domain, while not necessarily reflecting changes in greenhouse gas flux rates directly. We define two metrics based on this representativeness score: one that measures whether a location is represented by an EC tower with similar characteristics (ER1) and a second for which we assess if a minimum level of representation for statistically rigorous extrapolation is met (ER4). We find that while half of the domain is represented by at least one tower, only a third has enough towers in similar locations to allow reliable extrapolation. When we consider methane measurements or year-round (including wintertime) measurements, the values drop to about 1/5 and 1/10 of the domain, respectively. With the majority of sites located in Fennoscandia and Alaska, these regions were assigned the highest level of network representativeness, while large parts of Siberia and patches of Canada were classified as underrepresented. Across the Arctic, mountainous regions were particularly poorly represented by the current EC observation network. We tested three different strategies to identify new site locations or upgrades of existing sites that optimally enhance the representativeness of the current EC network. While 15 new sites can improve the representativeness of the pan-Arctic network by 20 %, upgrading as few as 10 existing sites to capture methane fluxes or remain active during wintertime can improve their respective ER1 network coverage by 28 % to 33 %. This targeted network improvement could be shown to be clearly superior to an unguided selection of new sites, therefore leading to substantial improvements in network coverage based on relatively small investments.

54 ENVIRONMENTAL SCIENCES↗

Truck platooning in the U.S. national road network: A system-level modeling approach

Truck platooning enables a group of trucks to move close together, which helps reduce truck fuel use and increase effective road capacity. In this paper, a system-level equilibrium model is developed to characterize spontaneous truck platooning with coexistence of non-platooning vehicles in a network, by explicitly accounting for the interlocking relationship among platoon formation time, truck fuel saving, and increase in effective road capacity. To equilibrate the relationships, an algorithm is proposed which involves a diagonalization approach and a bush based algorithm to solve decomposed subproblems. The condition of proportionality is imposed to obtain unique traffic flows for each class of vehicles on road links. In addition, a spatially constrained multivariate clustering technique is employed to construct origin/destination zones that are smaller than the coarse Freight Analysis Framework (FAF) zones, while maintaining reasonable computational burden for network traffic assignment. Model implementation in the U.S. shows that platooning could lead to 7.9% fuel saving among platoonable trucks in 2025 and a comparable increase in effective capacity of platoonable road links, which would account for 60% of rural interstate roads. The fuel saving and road capacity improvement translate into an annual cost reduction of $\$$868 million for the U.S. intercity trucking sector and reduced road infrastructure investment needs worth $\$$4.8 billion. Extensive sensitivity analysis further reveals that fuel saving of platoonable trucks increases with platoon size but decreases with inter-truck distance in a platoon. Fuel saving potential suggests that priority should be given to rural rather than urban roads in deploying platooning technologies. As we expected, greater market penetration of platooning technologies means higher fuel saving and greater increase in effective road capacity.

33 ADVANCED PROPULSION SYSTEMS↗

A first principles framework to predict the transient performance of latent heat thermal energy storage

Thermal energy storage (TES) is increasingly recognized as an essential component of efficient Combined Heat and Power (CHP), Concentrated Solar Power (CSP), Heating Ventilation and Air Conditioning (HVAC), and refrigeration as it reduces peak demand while helping to manage intermittent availability of energy (e.g., from solar or wind). Latent Heat Thermal Energy Storage (LHTES) is a viable option because of its high energy storage density. Parametric analysis of LHTES in terms of dimensionless numbers is highly desired as a tool to model LHTES systems. One approach is to develop a model equation so as to minimize the error between the model and data obtained from experiments or simulations. While this approach can produce an accurate correlation applicable within the range of data used for its creation, it does not provide physical understanding of the rate-limiting process controlling the transient behavior of the device. In this paper we present an alternative approach whereby the potential rate-limiting processes are identified from first principles and then the key process is determined as a function of time as a LHTES device is charged. For example, in a simple geometry, the melt-fraction can be expected to vary linearly in time if the heat transfer rate is limited by natural convection of the phase changing material and we show it scales with the PCM Grashof number as $Gr^1_p$ and PCM Prandtl number as $Pr_p^{(1/3)}$. On the other hand, if surface area of solid PCM limits the heat transfer rate, the melt fraction increases asymptotically to reach full melting. The existence of these linear and asymptotic regions and the $Gr^1_pP r^{1/3}_p$ shape of the melt fraction curve is verified using our database of 64 simulations. Of practical importance in designing LHTES devices is the melt fraction at which the heat transfer rate ceases to be limited by convection, after which the heat storage rate deteriorates. For our geometry, this is found to be about 90%. This test case of our methodology shows the value of our approach, that predicting heat storage rate based on the rate-limiting physical phenomenon as a function of time is an effective approach to modeling LHTES devices.

25 ENERGY STORAGE↗

Climate change impacts on the energy system: a model comparison

Increasing renewable energy use is an essential strategy for mitigating climate change. Nevertheless, the sensitivity of renewable energy to climatic conditions means that the energy system’s vulnerability to climate change can also become larger. In this research, we used two integrated assessment models and data from four climate models to analyse climate change impacts on primary energy use at a global and regional scale under a low-level (RCP2.6) and a medium-level (RCP6.0) climate change scenario. The impacts are analysed on the energy system focusing on four renewable sources (wind, solar, hydropower, and biomass). Globally, small climate impacts on renewable primary energy use are found in both models (5% for RCP2.6 and 6% for RCP6.0). These impacts lead to a decrease in the use of fossil sources for most regions, especially for North America and Europe under the RCP60 scenario. Overall, IMAGE and GCAM provide a similar signal impact response for most regions. E.g. in Asia (excluding China and India), climate change induces an increase in wind and hydropower use under the RCP6.0 scenarios; however, for India, a decrease in solar energy use can be expected under both scenarios and models.

54 ENVIRONMENTAL SCIENCES↗

Temperature Effects on Droplet Oscillation Decay with Application to Fuel Property Measurement

Observation of oscillation decay in droplets has been shown to be an effective approach in determining physical properties such as viscosity and surface tension for emerging biofuels using μl quantities. Herein this work extends the approach to higher temperatures relevant to fuel injection conditions for internal combustion engines. Experiments are conducted that use high-resolution strobed imaging of moving, heated, μm-sized, fuel droplets to capture shape oscillation decay through image processing and analysis. Two fuels are investigated, iso-butanol and a primary reference fuel (PRF 84), which is a mixture of iso-octane and n-heptane. A piezoelectric droplet generator is used to generate a continuous train of single droplets, which are given an initial perturbation and subsequently undergo damped oscillations, captured using strobed imaging. Surface tension and viscosity calculated at four different temperatures ranging from 30°C-55°C using the frequency and decay time associated with the fundamental mode are found to be within ~ 10% of reference values obtained from the literature. Complementary numerical simulations are performed that utilize a volume-of-fluid approach to track transient droplet oscillation phenomena along with heat and mass transfer in a 2D axisymmetric domain. Simulations, where droplet size and temperature can be independently varied, capture an expected decrease in oscillation frequency and increase in decay time, with increase in fuel temperature. The simulations are further used to study the relative contribution to deviations in surface tension and viscosity predictions due to heat and mass transfer from the droplet, as well as viscous effects violating the inviscid flow assumption in the droplet oscillation theory. Mass loss effects are found to be negligible. Temperature change due to heat transfer is found to have the next highest sensitivity, particularly for the more volatile PRF 84, which has a lower viscosity and associated Ohnesorge number. For isobutanol, which has a higher viscosity and Ohnesorge number, viscous effects contribute the most to deviation in fuel property predictions.

09 BIOMASS FUELS↗

Effects of Mineral Impurities and Heat on Uranium(VI) Sorption onto Bentonite (Final Report)

Most nuclear waste disposal options include compacted bentonite, consisting of montmorillonite clay, as part of a barrier system to minimize contaminant mobility. Uranium (U) is the primary element in spent nuclear fuel, and from an environmental perspective, a potential contaminant of water resources. Furthermore, uranium may control nuclear fuel degradation rates and the consequent release of other radioactive contaminants based on its diffusive transport away from waste canisters. Uranium sorption onto clay and other mineral surfaces is expected to limit U(VI) mobility in these systems. However, at this point a prediction of U(VI) sorption and transport behavior in performance assessment (PA) models is complicated by a series of factors, such as: (1) the presence of various U(VI) solution species with different charges and sorption characteristics; (2) the complex microstructure of montmorillonite clay resulting in two types of clay porosities and multiple sorption sites; (3) the largely unknown effects of bentonite mineral impurities on pore water chemistry, U(VI) sorption and diffusion behavior; and (4) the potential impacts of heat, generated by the decay of spent fuel, on mineralogical and microstructural transformations, and any subsequent effects on radionuclide sorption and mobility. In this project, we investigated the effects of calcite impurities on U(VI) sorption and diffusion onto montmorillonite before and after mineral exposure to heat. Overall, our main goals were to: 1. Gain a mechanistic understanding of the effects of calcite impurities on U(VI) sorption and diffusion in montmorillonite/bentonite at variable chemical conditions, and before and after mineral exposure to heat; and to 2. Work towards the development of new surface complexation and diffusion models to predict U(VI) sorption and mobility in montmorillonite/bentonite while accounting for the impacts of calcite impurities and heat. In order to achieve these goals, we pursued the following research objectives and tasks: 1. Characterize the effects of calcite impurities on U(VI) sorption onto Na-montmorillonite, and evaluate if and how these effects change due to solids’ exposure to heat (Task 1). 2. Characterize U(VI) surface speciation in solid samples from Task 1, with a particular focus on U(VI) precipitates and co-precipitates (Task 2). 3. Test the relevance of observed changes in U(VI) sorption characteristics for U(VI) diffusive transport behavior in bentonite barriers (Task 3). 4. Evaluate the exclusion of anionic U(VI) solution complexes from clay nanopores (Task 4). 5. Building on Tasks 1-4, start the development of new surface complexation and reactive transport models that can simulate and predict U(VI) sorption and diffusion in complex bentonite systems (Task 5). A detailed description of all tasks, and their specific results and conclusions is provided in this report.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Comparison of juvenile white sturgeon blade strike survival through a conventional and a novel hydropower turbine

Hydropower is a globally important renewable energy source with profound impacts on aquatic organisms, including direct injury and mortality to fish that move through hydropower facilities. While it is expected that the characteristics of turbine design and operation influence the type, frequency, and magnitude of injuries suffered by entrained fish, few direct comparisons exist to illustrate differences in fish survival outcomes for conventional and novel turbine designs. This study evaluated blade strike-associated injury and mortality rates for juvenile white sturgeon (Acipenser transmontanus) passed through a model-scale turbine equipped with a runner having conventional blade profiles (thin, straight leading edges) and the same turbine equipped with a runner designed for improved fish survival (thick, slanted leading edges). In both trials, head and turbine runner rotational speeds were matched to produce five blade peripheral speeds between 15.0 and 27.6 m/s. High-speed video was captured for all turbine passage events. Fish were assessed for injuries following passage, and mortalities were assessed immediately after passage and after 48 h. Conventional runner passage resulted in 42% to 78% survival after 48 h, with approximately one-third of all tested fish killed by severing. Under the same test conditions, immediate and 48 h survival rates through the novel runner were 100% except at the highest speed condition (95.6% survival at 48 h). These results clearly indicate that turbine design has a profound effect on fish survival, and suggest that thoughtful redesign of hydropower equipment could significantly ameliorate the risks of blade strike mortality.

13 HYDRO ENERGY↗