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At least 1,747 records · Page 97

Increasing temperatures reduce invertebrate abundance and slow decomposition

Decomposition is an essential ecosystem service driven by interacting biotic and abiotic factors. Increasing temperatures due to climate change can affect soil moisture, soil fauna, and subsequently, decomposition. Understanding how projected climate change scenarios will affect decomposition is of vital importance for predicting nutrient cycling and ecosystem health. In this study, we experimentally addressed the question of how the early stages of decomposition would vary along a gradient of projected climate change scenarios. Given the importance of biodiversity for ecosystem service provisioning, we measured the effect of invertebrate exclusion on red maple ( Acer rubrum ) leaf litter breakdown along a temperature gradient using litterbags in warming chambers over a period of five weeks. Leaf litter decomposed more slowly in the warmer chambers and in the litterbag treatment that minimized invertebrate access. Moreover, increasing air temperature reduced invertebrate abundance and richness, and altered the community composition, independent of exclusion treatment. Using structural equation models, we were able to disentangle the effects of average air temperature on leaf litter loss, finding a direct negative effect of warming on the early stages of decomposition, independent of invertebrate abundance. This result indicates that not only can climate change affect the invertebrate community, but may also directly influence how the remaining organisms interact with their environment and their effectiveness at provisioning ecosystem services. Overall, our study highlights the role of biodiversity in maintaining ecosystem services and contributes to our understanding of how climate change could disrupt nutrient cycling.

54 ENVIRONMENTAL SCIENCES↗

Oligosaccharide production and signaling correlate with delayed flowering in an Arabidopsis genotype grown and selected in high [CO 2 ]

Since industrialization began, atmospheric CO 2 ([CO 2 ]) has increased from 270 to 415 ppm and is projected to reach 800–1000 ppm this century. Some Arabidopsis thaliana (Arabidopsis) genotypes delayed flowering in elevated [CO 2 ] relative to current [CO 2 ], while others showed no change or accelerations. To predict genotype-specific flowering behaviors, we must understand the mechanisms driving flowering response to rising [CO 2 ]. [CO 2 ] changes alter photosynthesis and carbohydrates in plants. Plants sense carbohydrate levels, and exogenous carbohydrate application influences flowering time and flowering transcript levels. We asked how organismal changes in carbohydrates and transcription correlate with changes in flowering time under elevated [CO 2 ]. We used a genotype (SG) of Arabidopsis that was selected for high fitness at elevated [CO 2 ] (700 ppm). SG delays flowering under elevated [CO 2 ] (700 ppm) relative to current [CO 2 ] (400 ppm). We compared SG to a closely related control genotype (CG) that shows no [CO 2 ]-induced flowering change. We compared metabolomic and transcriptomic profiles in these genotypes at current and elevated [CO 2 ] to assess correlations with flowering in these conditions. While both genotypes altered carbohydrates in response to elevated [CO 2 ], SG had higher levels of sucrose than CG and showed a stronger increase in glucose and fructose in elevated [CO 2 ]. Both genotypes demonstrated transcriptional changes, with CG increasing genes related to fructose 1,6-bisphosphate breakdown, amino acid synthesis, and secondary metabolites; and SG decreasing genes related to starch and sugar metabolism, but increasing genes involved in oligosaccharide production and sugar modifications. Genes associated with flowering regulation within the photoperiod, vernalization, and meristem identity pathways were altered in these genotypes. Elevated [CO 2 ] may alter carbohydrates to influence transcription in both genotypes and delayed flowering in SG. Changes in the oligosaccharide pool may contribute to delayed flowering in SG. This work extends the literature exploring genotypic-specific flowering responses to elevated [CO 2 ].

59 BASIC BIOLOGICAL SCIENCES↗

The impact of climate change on Korea’s agricultural sector under the national self-sufficiency policy

Evolving environmental conditions due to climate change have brought about changes in agriculture, which is required for human life as both a source of food and income. International trade can act as a buffer against potential negative impacts of climate change on crop yields, but recent years have seen breakdowns in global trade, including export bans to improve domestic food security. For countries that rely heavily on imported food, governments may institute policies to protect their agricultural industry from changes in climate-induced crop yield changes and other countries’ potential trade restrictions. This study assesses the individual and combined effects of climate impacts and food self-sufficiency policies in Korea, which is highly dependent on imports. We use the Global Change Analysis Model (GCAM), a global integrated assessment model, to explore (1) the direct impact of climate change on Korea’s agricultural yields, (2) the full impacts of global climate change on agricultural production, including trade-induced changes due to yield changes in other regions, (3) the impacts of food self-sufficiency policy, and (4) the interactive impact of climate change and self-sufficiency policies. We find that, in Korea, the direct impact of climate change on agricultural yields would be overshadowed by the impact of global climate change due to changing trade patterns. Second, global climate change leads to a rise (rice and wheat) or a decline (soybeans) in Korean producer revenues, while simultaneously raising consumer expenditures on both staples and non-staples. Third, implementing self-sufficiency policies for wheat and soybeans in Korea boosts the nation’s producer revenues, in conjunction with the effects of climate change, at the cost of additional increases in consumer expenditures for both staples and non-staples.

Science & Technology - Other Topics↗

Nutrient and stress tolerance traits linked to fungal responses to global change: Four case studies

In this case study analysis, we identified fungal traits that were associated with the responses of taxa to 4 global change factors: elevated CO2, warming and drying, increased precipitation, and nitrogen (N) enrichment. We developed a trait-based framework predicting that as global change increases limitation of a given nutrient, fungal taxa with traits that target that nutrient will represent a larger proportion of the community (and vice versa). In addition, we expected that warming and drying and N enrichment would generate environmental stress for fungi and may select for stress tolerance traits. We tested the framework by analyzing fungal community data from previously published field manipulations and linking taxa to functional gene traits from the MycoCosm Fungal Portal. Altogether, fungal genera tended to respond similarly to 3 elements of global change: increased precipitation, N enrichment, and warming and drying. The genera that proliferated under these changes also tended to possess functional genes for stress tolerance, which suggests that these global changes—even increases in precipitation—could have caused environmental stress that selected for certain taxa. In addition, these genera did not exhibit a strong capacity for C breakdown or P acquisition, so soil C turnover may slow down or remain unchanged following shifts in fungal community composition under global change. Since we did not find strong evidence that changes in nutrient limitation select for taxa with traits that target the more limiting nutrient, we revised our trait-based framework. The new framework sorts fungal taxa into Stress Tolerating versus C and P Targeting groups, with the global change elements of increased precipitation, warming and drying, and N enrichment selecting for the stress tolerators.

59 BASIC BIOLOGICAL SCIENCES↗

Castanha et al. 2018: Hopland Lysimeter 13C-Labeled Root Litter Decomposition Study.

The breakdown and decomposition of plant inputs are critical for nutrient cycling, soil development, and climate-ecosystem feedbacks, but uncertainties persist in how the rates and products of litter decomposition are affected by soil temperature, rhizosphere, and depth of input. To elucidate these questions we measured the effects of soil warming (+ 4 °C), rhizosphere, and depth of litter placement on the decomposition of Avena fatua (wild oat grass) root litter in a Mediterranean grassland ecosystem. Field lysimeters were subjected to three environmental treatments (heating, control, and plant removal) and three 13C-labeled root litter addition treatments (to A horizon, to B horizon, and no-addition disturbance control) for each of two harvest time points. We buried root litter in February 2014 and measured loss of 13C in CO2 from the soil surface and in leachate as dissolved organic carbon (DOC) over two growing seasons. At the end of each of the 2014 and 2015 growing seasons we recovered the 13C remaining in the soil. Loss of root litter C occurred almost entirely via heterotrophic respiration, with an estimated < 2% lost as DOC during the initial decay period. The added roots were broken down and incorporated into bulk soil material very quickly; only ~ 30% of added root was visible after 6 months. In the first growing season, decomposition occurred faster in the B than in the A horizon, the latter having greater moisture limitation. Subsequently, there was almost no further decomposition in the B horizon. After two growing seasons, less than 20% of the added root litter C remained in the A or B horizons of all environmental treatments. Heating did not stimulate decomposition, likely because it exacerbated the moisture limitation. However, while plots without plants dried down more slowly than plots with plants, their decomposition rate was not significantly greater, possibly due to the lack of rhizosphere processes such as priming. We conclude that in this Mediterranean grassland ecosystem, soil moisture, which is affected by season, depth, heating, and rhizosphere, plays a dominant role in mediating the effect of those factors on root litter decomposition, which after two seasons did not differ by depth or by treatment.The files in this dataset comprise (1) 13C-labeled litter additions made to each plot, (2) litter recovery after each of 2 growing seasons, (3) periodical soil flux measurements, (4) leachate measurements, and continuously monitored soil (5) temperature and (6) moisture.

54 ENVIRONMENTAL SCIENCES↗

Hot Droughts and Forest Tree Dynamics in the Amazon - Statistical Models, Scripts, Data, and Outputs

This package contains data, outputs, equations, and R scripts for analyses for manuscript entitled "Hot droughts in the Amazon: A window to a future hypertropical climate" by J. Chambers et al., in particular it contains statistical models and analyses for the INPA BIONTE tree mortality study. The Models folder contains details for all statistical models in PDF files. The Scripts folder contains the R scripts for Bayesian Hierarchical Models (two text files) and SEMs (one text file) are separate and reasonably annotated. All data associated with these scripts are in the data folder. The Data folder contains two of the three CSV files used for the analyses and are called by the R scripts. Two of them are part of published datasets (`BIONTE_mortality-rates.csv` from Lima et al. 2024, DOI:10.15486/ngt/1898910 and `SPEI.csv` from Pastorello et al. 2023 DOI:10.15486/ngt/1958257) and also provided in this package for convenience (please see the corresponding datasets for usage and citation terms). The third dataset (`BIONTE_gapfilled_wd.csv`) contains sensitive information and can be obtained by contacting the manuscript lead author. The Outputs folder contains the two output files that provide extra information about the analyses. The file `figuresFeb2025d.pdf` contains all the figures from the manuscript - captions are in the manuscript. The file `ChambersMS.pdf` contains primary results from Bayesian statistical models, regression analyses, and validation steps applied to the tree mortality data from the INPA experiments. The document includes visual summaries, model diagnostics, and leave-one-out (LOO) validation results. A breakdown of file contents can be found in the README file that is part of this package.

54 ENVIRONMENTAL SCIENCES↗

First-principles calculations of structural, electrical, and optical properties of ultra-wide bandgap (Al$_x$Ga$_{1-x}$)$_2$O$_3$ alloys

Alloys between Ga 2 O 3 and Al 2 O 3 (AGO) present a rich material space exhibiting numerous structural phases with unique optoelectronic properties that make them attractive candidates as ultra-wide bandgap (UWBG) semiconductors for next-generation power devices. Here we review the properties of AGO, focusing on theoretical results on the thermodynamics of Al incorporation and its consequences on the electronic structure. We review predictions and progress in experimentally realizing these alloys, as well as how composition influences important optoelectronic variables such as the band gap, band offsets, transport properties, and n-type dopability. A number of these parameters, such as the breakdown field (related to the band gap) and electron mobility, are discussed in assessing AGO in terms of relevant power device figures of merit. Altogether, the rapid progress and predicted properties highlight the promise of AGO as a model UWBG semiconductor platform with the potential to revolutionize power devices.

36 MATERIALS SCIENCE↗

Analysis of the dependence of critical electric field on semiconductor bandgap

Abstract Understanding of semiconductor breakdown under high electric fields is an important aspect of materials’ properties, particularly for the design of power devices. For decades, a power-law has been used to describe the dependence of material-specific critical electrical field ( $${\mathcal{E}}_{\text{crit}}$$ E crit ) at which the material breaks down and bandgap ( E g ) . The relationship is often used to gauge tradeoffs of emerging materials whose properties haven’t yet been determined. Unfortunately, the reported dependencies of $${\mathcal{E}}_{\text{crit}}$$ E crit on E g cover a surprisingly wide range in the literature. Moreover, $${\mathcal{E}}_{\text{crit}}$$ E crit is a function of material doping. Further, discrepancies arise in $${\mathcal{E}}_{\text{crit}}$$ E crit values owing to differences between punch-through and non-punch-through device structures. We report a new normalization procedure that enables comparison of critical electric field values across materials, doping, and different device types. An extensive examination of numerous references reveals that the dependence $${\mathcal{E}}_{\text{crit}}$$ E crit ∝ E g 1.83 best fits the most reliable and newest data for both direct and indirect semiconductors. Graphical abstract

36 MATERIALS SCIENCE↗

A Multi-physics Computational Investigation of Droplet Pathogen Transport Eminating from Synthetic Coughs and Breathing

In response to the global SARS-CoV-2 transmission pandemic, Sandia National Laboratories Rapid Lab-Directed Research and Development (LDRD) COVID-19 initiative has deployed a multi-physics, droplet-laden, turbulent low-Mach simulation tool to model pathogen-containing water droplets that emanate from synthetic human coughing and breathing. The low-Mach turbulent Eulerian/point-particle Lagrangian methodology directly couples mass, momentum, energy, and species to capture droplet evaporation physics that supports the ability to distinguish between droplets that deposit and those that persist in the environment. Additionally, the cough mechanism is modeled as a pulsed-spray with a prescribed log-normal droplet size distribution. Simulations demonstrate direct droplet deposition lengths in excess of three meters while the persistence of a droplet nuclei entrained within a buoyant plume is noted. Including the effect of protective barriers demonstrates effective mitigation of large-droplet transport. For coughs into a protective barrier, jet impingement and large-scale re-circulation can drive droplets vertically and back towards the subject while supporting persistence of droplet nuclei. Simulations in quiescent conditions demonstrate droplet preferential concentrations due to the coupling between vortex ring shedding and the subsequent advection of a series of three-dimensional rings that tilt and rise vertically due to a misalignment between the initial principle vortex trajectory and gravity. These resolved coughing simulations note vortex ring formation, roll-up and breakdown, while entraining droplet nuclei for large distances and time scales.

42 ENGINEERING↗

A Pilot-Scale Evaluation of Natural Gas-Based Foam at Elevated Pressure and Temperature Conditions

Abstract Nitrogen (N2) and Carbon Dioxide (CO2) foams have been used as hydraulic fracturing fluids for several decades to reduce water usage and minimize damage in water-sensitive reservoirs. These foam treatments require gases to be liquefied and transported to site. An alternative approach would be to use natural gas (NG) that is readily available from nearby wells, pipelines, and processing facilities as the internal, gaseous phase to create a NG-based foam. Hydraulic fracturing with NG foam is a relatively inexpensive option, makes use of an abundant and often wasted resource, and may even provide production benefits in certain reservoirs. As part of an ongoing development project sponsored by the Department of Energy (DOE), the surface process to create NG foam is being developed and the properties of NG foam are being explored. This paper presents recent results from a rigorous pilot-scale demonstration of NG foam over a range of operating scenarios relevant to surface and bottomhole conditions with a variety of base-fluid mixtures. The Pilot-scale Foam Test Facility (PFTF) used in these investigations is first described. The PFTF is capable of generating foamed fluids at pressures up to 7,500 psig and at temperatures in excess of 300°F. Then, results from several investigations aimed at proving NG foam at conditions relevant to the field are presented. NG foam was characterized using rheology measurements and flow visualization techniques. Experiments were performed to investigate the texture and stability of NG foam generated by two different mixing methods: one using a custom designed tee to match mixing velocities in the field where the gas phase is jetted into the aqueous stream, and another to ensure comprehensive mixing for laboratory analysis. Parametric studies were conducted to explore the effects of flow rate, foam quality, and temperature on the stability of NG foam. Moreover, different fluid preparations were used to investigate the effect of base fluid and additive concentrations on the stability of NG foams. Additional laboratory studies that investigated foam stability with produced water and multicomponent NG mixtures are also reported. The NG foams explored in these investigations exhibited typical, shear-thinning behavior observed in rheological studies of N2- and CO2-based foams. The measured viscosity and observed stability indicate that NG foams are well suited for fracturing applications. Like other foams, NG foam exhibits sensitivity to operating temperature characterized by a decrease in apparent viscosity as temperature increases. Rapid foam breakdown was observed at significantly elevated temperatures exceeding 290°F. In addition to fluid characterization, these investigations also yielded several key lessons that should be applied to future field demonstrations of NG foam.

Beck, Griffin↗

A tail of eternal inflation

Non-trivial inflaton self-interactions can yield calculable signatures of primordial non-Gaussianity that are measurable in cosmic surveys. We calculate the non-Gaussian corrections to Stochastic Inflation within the framework of Soft de Sitter Effective Theory, from which we derive the associated probability distribution for the scalar fluctuations. As a consequence of this new result, we show that the phase transition to slow-roll eternal inflation is often incalculable in these models. Instead, this transition is sensitive to the non-Gaussian tail of the distribution of scalar fluctuations, which probes physics inside the horizon, potentially beyond the cutoff scale of the Effective Field Theory of Inflation. We delineate the parameter space consistent with current observations and weak coupling at horizon crossing in which the large fluctuations relevant for eternal inflation can only be determined by appealing to a UV completion. We also argue that this breakdown of the perturbative description is required for the de Sitter entropy to reflect the number of de Sitter microstates.

79 ASTRONOMY AND ASTROPHYSICS↗

North Dakota Integrated Carbon Storage Complex Feasibility Study. Final report

In spring 2017, the Energy & Environmental Research Center (EERC) initiated an effort to determine the feasibility of developing a commercial-scale CO 2 geologic storage complex able to store 50+ million tonnes (Mt) of CO 2 in central North Dakota safely, permanently, and economically. The objective was to fulfill the goals of the U.S. Department of Energy (DOE) Carbon Storage Assurance Facility Enterprise (CarbonSAFE) Initiative and address technical and nontechnical challenges specific to commercial-scale deployment of a CO2 storage project. The findings clearly show that the concept of capturing CO 2 from a lignite-fired electrical generation facility in central North Dakota and safely and permanently storing the CO 2 in the deep subsurface is indeed technically, economically, and socially feasible. This project evaluated two study areas and their respective geologic storage complexes located adjacent to separate coal-fired facilities in North Dakota: the Basin Electric Power Cooperative (BEPC)-owned Great Plains Synfuels Plant (GPSP) and the Minnkota Power Cooperative (Minnkota)-owned Milton R. Young Station (MRYS). These locations, one with CO 2 capture in place and an existing CO 2 pipeline, are bolstered by progressive North Dakota pore space ownership and long-term liability laws. These elements and a motivated team created an ideal synergistic scenario for ensuring success of the CarbonSAFE Initiative and promoting North Dakota’s statewide vision for carbon management. The project included drilling two new geologic characterization wells, integrating an existing 3-D seismic survey, creating a geologic model subsequently used for injection simulation, a risk assessment, public outreach, and generating a site development plan based on results. In addition, the performance of select National Risk Assessment Partnership tools was evaluated. The geologic characterization wells were drilled ~5600 feet deep to the Broom Creek Formation; ~350 feet of core was retrieved from each well. The core included the Broom Creek (targeted injection zone) and a portion of the overlying Opeche Shale (seal). The Flemmer-1 well, west of Beulah, North Dakota, yielded 169 feet of sandstone. The BNI-1 well located south of Center, North Dakota, yielded 124 feet of sandstone. In each case, laboratory analysis of the sandstone showed permeability in the 300–1000-mD range, with porosity of 20%–30%. The Flemmer-1 well was sited within the boundaries of an existing 3-D seismic survey. Colocating the well with the seismic survey maximized the relationship between new and legacy data and developed a first-of-its-kind interpretation of the geologic fabric of the Broom Creek. Geologic characterization data were integrated into a 5544-mi 2 geocellular model that encompassed both new wells and stratigraphy from the surface to the Amsden Formation (underlying the Broom Creek). The model was later expanded vertically to include the deeper Black Island–Deadwood interval to examine its potential viability as a storage target. The geocellular model provided the foundation for dynamic simulation of CO 2 into the Broom Creek. Results of the simulation suggest that the Broom Creek could accept the DOE target rate of 2 Mt/yr of CO 2 into as few as two wells. To bracket the expected capture from MRYS, simulations were also investigated for a 4-Mt/yr rate near MRYS. Although more wells are needed (two additional), the Broom Creek still has the storage resource to accept the CO 2 at the increased rate. A risk assessment exercise was conducted to identify and assess technical and nontechnical risks that could prevent potential candidate storage complexes within the study area from serving as commercial storage sites. The assessment identified and evaluated six technical risk categories: 1) CO 2 injectivity, 2) storage capacity, 3) lateral migration of CO 2 , 4) lateral pressure propagation, 5) vertical migration of CO 2 or formation brine, and 6) induced seismicity. Following two rounds of analysis and scoring, no risks were determined to preclude continued efforts to develop carbon capture, utilization, and storage (CCUS) in central North Dakota. The risk assessment results will be used to guide future site characterization, modeling and simulation, and monitoring activities. A specific nontechnical strategic risk based on challenges that may be realized in amalgamation of pore space resulted in vertically expanding the geologic model to incorporate the potential for stacked storage in multiple saline reservoirs. By including the Black Island–Deadwood interval (the basal sedimentary reservoir in this region), the amalgamated areal extent could be reduced by as much as 45%. Working with a smaller geographic area reduces risks and costs associated with monitoring and pore space leasing. An economic evaluation incorporating capture; transport (<5 mi); Class VI wells; permitting; and monitoring, verification, and accounting suggests implementing commercial-scale CCUS is economically attractive if the federal tax benefits of 45Q are included. This is validated by Minnkota’s continued pursuit of CO 2 capture and geologic storage at MRYS through its Project Tundra initiative, indicating that there is a business case for CCUS in central North Dakota. Currently, North Dakota is the only state with underground injection control (UIC) Class VI primacy. Built into the North Dakota Century Code is a series of regulatory requirements that guide the process to obtain a Class VI CO 2 storage facility permit. As part of this project, a site development plan was compiled to assure compliance with North Dakota’s requirements to permit a commercial-scale CO 2 storage operation and includes a prospective time line encompassing a general breakdown of activities. In total, an estimated 30 months would be needed to execute the necessary steps to attain a North Dakota CO 2 storage facility permit. Outreach was an integral part of the project and encompassed any project-related activity that had contact or exposure beyond the project team. The goals of outreach were to foster an environment from which stakeholders could make informed decisions about the project and gauge community receptiveness to a CCUS project. A consistent set of messages and outreach products were developed in conjunction with an outreach advisory board that integrated project partners and team members. To gauge public acceptability of geologically storing CO 2 , 5611 households in the project area were invited to participate in an online survey. The survey results indicate that the public attitude regarding CCUS is neutral to positive, with strong sentiment that CO 2 capture and storage may be an approach to maintain the economic vitality of the region. To achieve project objectives, critical support in the form of financial backing, engineering evaluations, site access, outreach collaboration, operations data, risk assessment/evaluation, and software access was provided by BEPC, the North Dakota Industrial Commission Lignite Research Council, ALLETE Clean Energy, BNI Energy, North American Coal Corporation, Minnkota, Prairie Public Broadcasting, Computer Modelling Group Ltd., and Schlumberger.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Report on local data recovery approaches suitable for weather and climate prediction (Deliverable 1.3) (V.1.0)

Numerical weather and climate prediction rates as one of the scientific applications whose accuracy improvements greatly depend on the growth of the available computing power. As the number of cores in top computing facilities pushes into the millions, increasing average frequency of hardware and software failures forces users to review their algorithms and systems in order to protect simulations from breakdown. This report surveys approaches for fault-tolerance in numerical algorithms and system resilience in parallel simulations from the perspective of numerical weather and climate prediction systems. A selection of existing strategies is analyzed, featuring interpolation-restart and compressed checkpointing for the numerics, in-memory checkpointing, user-level failure mitigation-based and backup-based methods for the systems. Numerical examples showcase the performance of the techniques in addressing faults, with particular emphasis on iterative solvers for linear systems, a staple of atmospheric fluid flow solvers. The potential impact of these strategies is discussed in relation to current development of numerical weather prediction algorithms and systems towards the exascale. Trade-offs between performance, efficiency and effectiveness of resiliency strategies are analyzed and some recommendations outlined for future developments.

97 MATHEMATICS AND COMPUTING↗

Vadose Zone Flow and Transport Parameters Data Package for the Hanford Site Composite Analysis

This report provides a description of the basis for the development and implementation of a conceptual model for vadose zone flow and transport for the Hanford Site composite analysis (CA) groundwater pathway analysis. The parameterization for a numerical model is intimately linked to the conceptual model framework. This report describes the basis for the selection of hydraulic and transport parameters for the hydrostratigraphic units (HSUs) identified in the 200 East and 200 West Areas. The following three-step process was used to develop the hydraulic properties and transport parameters for the CA modeling: 1. Breakdown of existing database on hydraulic properties by HSUs 2. Constitutive model parameters for laboratory, core-scale hydraulic properties 3. Upscaling for macroscopic, field-scale flow, and transport parameters This document provides data and information on the following items: A brief description and technical basis for the conceptual model selected to represent vadose zone flow and transport for the CA modeling. Variation in sediment particle size distribution for representative sites in the 200 East and West Areas. A summary of effective (upscaled) moisture retention, and saturated and unsaturated hydraulic conductivity estimates for the HSUs in the 200 East and West Areas. A summary of effective transport parameters, including sediment bulk density and macrodispersivity estimates for various HSUs. The 200 East Area B Complex perched water aquifer hydraulic properties

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Cathode Modeling and Diode Performance in a Planar Geometry using Space-charge-limited Emission

Space-charge-limited (SCL) emission parameters are varied to study the performance effects in a planar diode using an electromagnetic particle-in-cell simulation software suite, EMPIRE. Oscillations in the simulations are found and linked to the emission parameters, namely the breakdown threshold, the emission delay time, and the current density ramp time. The oscillations are suggested to be a transverse oscillator due to the perfect magnetic conductor boundary condition in steady-state operation and the formation of a virtual cathode in the diode driven by the SCL boundary condition.

97 MATHEMATICS AND COMPUTING↗

Slag Management of Carbon Feedstock Used in Gasification FY17 TCF between Eastman Chemical and NETL (Final Report)

NETL, in collaboration with Eastman Chemical Corp (Kingsport, TN), targeted the joint evaluation and refinement of a slag management program developed by NETL (NETL IP, patent applied for) to control gasifier slag properties formed from ash in individual or combinations of different coal-based carbon feedstock materials and specific slag modifiers used in gasification. Slag forms from mineral or organic-metallic impurities in the carbon feedstock that melt at the high temperatures of gasification, coalescing to form a liquid (slag) that must flow from the gasifier. Slag additives, also known as slag modifiers, are often added to the carbon feedstock to modify the ash chemistry and achieve desired slag flow properties at target temperatures used in gasification. If slag does not flow from a gasifier, its buildup within the gasification chamber will cause either gasifier shutdown to physically remove the slag (consuming time and damaging the protective refractory lining), or the gasification temperature must be increased to lower slag viscosity so it can flow from the gasifier, leading to greater refractory wear/corrosion, along with increased fouling and downstream component wear. Because of these issues, gasification is typically targeted at the lowest temperature possible where slag will flow in a controlled manner (a temperature range called T100 for the lowest temperature, with T250 being the highest temperature where the slag has achieved the desired fluidity). That temperature range also needs to yield a desired syngas composition, highlighting the importance of knowing and being able to control carbon feedstock slag viscosity and the temperature of thermal breakdown of the carbon feedstock. Slag viscosity varies with changes in the gasification chamber temperature, oxygen partial pressure, and slag chemistry. The slag model work with Eastman Chemical targeted predicting and controlling molten coal ash slag behavior at specific gasification conditions. The final goal of the refined model was to develop/refine the NETL slag model so a gasifier operator would be able to predict slag behavior prior to purchasing or using a carbon feedstock and control slag properties once a carbon feedstock is being gasified, allowing a gasifier user to determine what mineral additives or blends of different carbon materials would be needed to achieve desired slag properties at targeted gasification conditions. For a given carbon feedstock and desired gasification condition, the actual gasification cost and slag behavior would be able to be predicted using the slag management program in advance of purchasing or using the carbon feedstock – allowing accurate control of slag ash behavior in real time. As part of the TCF project work with Eastman Chemical, the viscosity of several ash compositions of interest to them would be measured and used to populate the slag model, along with a large database of historical slag temperature, chemistry, and viscosity information they possess – information that would in-crease the predictive accuracy of the slag management model with slag ash chemistry of interest to them. As part of the model evaluation and refinement, the predictive model and its database will be installed on computers at Eastman Chemical and used to manage slag properties in a gasifier during real-time operation of their gasifier. In summary, success of the slag management program at Eastman Chemical would support its use by other gasifier operators to manage slag chemistry and properties over other desired gasification temperature ranges, allowing greater process control and efficiency of their carbon feedstock conversion during gasification.

01 COAL, LIGNITE, AND PEAT↗

Evaluation of Hydrogen Generation in High Burnup Demonstration Dry Storage Cask

This report provides a best-estimate evaluation of residual water content (post-dry out) in the High Burnup (HBU) LWR Spent Fuel Demonstration project TN-32 cask, and evaluates the radiolysis of the residual free water, and the physisorbed and chemisorbed waters on the surfaces of the fuel and cask internal contents. The evaluation of radiolytic breakdown of those waters with gamma radiation causing the generation of hydrogen gas (H 2 ) is made using available literature data and models. This evaluation is part of the overall materials performance evaluation of the SNF-in-canister system, and is part of the technical bases for their continued safe dry storage. The TN-32 cask contents included 32 HBU LWR spent fuel assemblies each with 264 fuel rods clad in zirconium alloys, aluminum neutron absorber components, and aluminum and stainless steel structural components. The residual free and surface (physisorbed/chemisorbed) waters are ascribed to water vapor in the free volume and to components’ surfaces, respectively. The total potential radiolytic hydrogen inventory from the water vapor and from waters ascribed to surfaces has been calculated assuming all the water produced molecular H 2 . The residual water that is chemically incorporated into the bulk of a hydrated oxide, i.e., chemisorbed water, and its total potential hydrogen inventory has been calculated. These calculations are at the physical limit of material available and are used for a bounding assessment purpose only.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Enhance coherence time in intensely driven quantum systems

Not long ago, it was shown that a discrete time crystal can be realized if a quantum system is periodically driven to a non-equilibrium state. Proof-of-concept experiments are reported by two groups using trapped ions and nitrogen-vacancy centers in diamond, respectively. The concept of discrete time crystals vividly demonstrates that the coherence time of a quantum system may be enhanced by driving the system out of equilibrium. In this project, we want to test this novel concept in another canonical quantum system, the quantum Hall system in a two-dimensional electron gas (2DEG). Compared to other systems, quantum Hall magnetism (QHM) in high quality, industry-compatible GaAs/AlGaAs heterostructures allows for detailed and quantitative studies in a particularly simple and clean environment. This detailed knowledge should help achieve longer coherence times in a driven QHM system. This report will detail the results from a recent study on the stability of the quantum Hall skyrmions (QHS) state at a Landau level filling close to ν = 1 by measuring its current-voltage (I-V) breakdown characteristics under radio-frequency (RF) radiations. We observe that the critical current increases visibly when the RF frequency is right at the Larmor frequency of 75As nuclei, where the hyperfine interaction between electron and nuclear spins perturbs the QHS state most significantly. We believe that this observation is consistent with the novel concept that the coherence time of a quantum system may be enhanced by driving the system out of equilibrium.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗