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Initial Atmospheric Transport of Particles

A new version of the Initial Atmospheric Transport (IAT) model has been developed. This report fully characterizes the new model. IAT is designed to model heat release into the atmosphere that contains contaminated particles. The heat release forms a buoyant puff or plume. Buoyancy is quickly dissipated in 10's to 100's of seconds through drag and entrainment of ambient air. The final location of contaminant particles in the atmosphere after dissipation of abnormal heat is an important input to long term transportation codes such as the National Oceanic and Atmospheric Administration's (NOAA) Hybrid Single Particle Lagrangian Integrated Trajectory (HYSPLIT) code. Ultimately the settling of contaminants after long term transport provides a basis for estimating health consequences. In comparison to the old version, the new model includes explicit simulation of particles, newly formulated equations of motion for a rising puff, and a new plume model. The plume model releases many instances of a single puff along a single trajectory in a way that balances energy released over a longer period than would be appropriate for a single puff. The puff model has additions for vorticity, turbulence, virtual mass, drag, and entrainment. The particle model leads to direct interfacing between IAT and the long-term transport code HYSPLIT. Previously, particle locations were given a pattern based on IAT's puff trajectory with no particle simulation. Now, particles are explicitly simulated, and 3-D spatial distributions of particles are output based on final positions. Ballistic particles are thrown outward at high velocity from explosive events and tend to hit the ground before the end of the simulation. Non-ballistic particles tend to get pulled into the rising puff s ring of vorticity with some escaping to ambient conditions as buoyant energy dissipates. A new model verification and validation effort was made for the new plume model. The Wallops Island Solid Rocket Propellant (SRP) fire plume was extracted to a 3-D transient dataset. After calibration, the model performs better than previous single puff attempts. Even so, error levels in the process used to estimate location and ambient weather conditions approach 30%. This leads to the conclusion that unplanned photogrammetry evaluations of the IAT model are useful but not sufficiently accurate to quantify model parameters. Like previous attempts, the vertical motion entrainment parameters come out much too high in comparison to values for other studies in the literature. It is suspected that a new model of shear entrainment would alleviate this problem. Unfortunately, IAT already has more calibration parameters than the data comparisons thus far can resolve with statistical certainty. This underscores the need to verify and validate the IAT model using detailed CFD studies that allow ideal statistical comparison with the IAT model for hundreds of cases. Even so, validation by comparison to carefully planned experiments (i.e. with acceptable error levels) is also necessary because the dynamics of entrainment are at a sub-grid level for CFD. Though better validation and verification are most important, many new enhancements are still envisioned for future IAT development. These include particle rain out due to condensation and agglomeration of water, direct connection to the North American Mesoscale (NAM) weather dataset, dynamic weather conditions, including ambient particle entrainment into the puff, and detrainment at the puff to ambient mixing interface. In general, including detailed aerosol dynamics is the greatest coming challenge which will require an entire new sub-model in IAT. This is very important if contaminant particles change in such a way that they increase or decrease in their potential harm to the environment.

54 ENVIRONMENTAL SCIENCES↗

Energy Consumption and Cost Reduction of Future Light-Duty Vehicles through Advanced Vehicle Technologies: A Modeling Simulation Study Through 2050

The U.S. Department of Energy’s (DOE’s) Vehicle Technologies Office (VTO) and Hydrogen and Fuel Cell Technologies Office (HFTO) aim to develop sustainable, affordable and efficient technologies for transportation of goods and people. Translating investments in advanced transportation component technologies and powertrains to estimate vehicle-level fuel savings potential is critical for understanding DOE’s impact. In this work, we simulated technologies funded by VTO and HFTO for light duty vehicles. The simulations were performed across: Multiple powertrain configurations (i.e., conventional, power-split, extended-range electric vehicle, battery electric drive, and fuel-cell vehicles), Vehicle classes (i.e., compact car, midsize car, small sport utility vehicle [SUV], midsize SUV, and pickup trucks); and Fuels (i.e., gasoline, diesel, hydrogen, and battery electricity). These various technologies are assessed for six different timeframes: laboratory years 2015, 2020, 2025, 2030, and 2045. A delay of 5 years is assumed between laboratory year and model year (year technology is introduced into production). Finally, uncertainties are included for both technology performance and cost aspects by considering two cases: Low case, aligned with DOE technology manager estimates of expected original equipment manufacturer (OEM) improvements based on regulations, business as usual; and High case, aligned with aggressive technology advancements based on R&D targets developed through support by VTO & HFTO. These scenarios are not intended as predictions of future performances. The energy and cost impact of different technologies were estimated using Autonomie (www.autonomie.net), Argonne vehicle system simulation tool. Autonomie is a state-of-the-art vehicle system simulation tool used to assess the energy consumption, performance and cost of multiple advanced vehicle technologies across classes (from light to heavy duty), powertrains (from conventional to HEVs, FCEVs, PHEVs and BEVs), components and control strategies. Autonomie is packaged with a complete set of vehicle models for a wide range of vehicle classes, powertrain configurations and component technologies, including vehicle level and component level controls. These controls were developed and calibrated using dynamometer test data. Autonomie has been used to support a wide range of studies including analyzing various component technologies, sizing powertrains components for different vehicle requirements, comparing the benefits of powertrain configurations, optimizing both heuristic and route based vehicle energy control and predicting transportation energy use when paired with a traffic modeling tool such as POLARIS. This report documents the assumptions and estimates the vehicle-level energy consumption benefits and associated technology costs for the various types of light duty vehicles. All details of vehicle assumptions and simulation results are available in the spreadsheets accompanying this report.

33 ADVANCED PROPULSION SYSTEMS↗

An Accelerated Creep Testing (ACT) Program for Advanced Creep Resistant Alloys for High Temperature Fossil Energy (FE) Applications (Final Report)

The research objective of this study is to develop an accelerated creep testing (ACT) program for advanced creep resistant alloys for high temperature FE applications. This research produced a new ACT for metallic materials based on Time-Temperature-Stress Superposition (TTSSP). In TTSSP, there exists a fundamental relationship between creep resistance, time, temperature, and stress that can be manipulated to reduce test durations. In our study, the stepped isostress method was employed where step increases of load during creep testing accelerated the time-to-rupture. Well-posed constitutive models including sin-hyperbolic and Wilshire-Cano-Stewart where calibrated using the SSM data and employed to predict the conventional creep response of the material. In our best experiments, <100-hour tests on lnconel 718 at 750 deg C produced over a 64x acceleration of data when compared to conventional data from Japan's National Institute of Materials Science. The ACTs enable the rapid screening of candidate materials, where a small test matrix of short duration tests can be employed to determine the creep resistance (minimum-creep-strain-rate, stress-rupture, and creep deformation) of a material across decades.

20 FOSSIL-FUELED POWER PLANTS↗

Characterization of Tri-lab β-Tin (Sn)

This report documents details of the microstructure and mechanical properties of -tin (Sn), that is used in the Tri-lab (Los Alamos National Laboratory (LANL), Lawrence Livermore National Laboratory (LLNL), Sandia National Laboratories (SNL)) collaboration project on Multi-phase Tin Strength. We report microstructural features detailing the crystallographic texture and grain morphology of as-received -tin from electron back scatter diffraction (EBSD). Temperature and strain rate dependent mechanical behavior was investigated by multiple compression tests at temperatures of 200K to 400K and strain rates of 0.0001 /s to 100 /s. Tri-lab tin showed significant temperature and strain rate dependent strength with no significant plastic anisotropy. A sample to sample material variation was observed from duplicate compression tests and texture measurements. Compression data was used to calibrate model parameters for temperature and rate dependent strength models, Johnson-Cook (JC), Zerilli-Armstrong (ZA) and Preston-Tonks-Wallace (PTW) strength models.

36 MATERIALS SCIENCE↗

Cellular Shade Energy Savings in a Commercial Setting

Windows cause approximately 1.7 quad of heating and cooling energy consumption in the United States. This energy consumption can be reduced by using high-efficiency window attachments. Common Venetian blinds and planar shades, such as roller shades, might block solar radiation, but they do not provide a significant improvement to window system thermal transmittance. Cellular shades have better thermal performance compared to other shading devices because of the honeycomb structure that traps air in pockets to create thermal insulation. However, evaluating the energy savings potential of cellular shades using experimental testing in commercial settings is limited. Moreover, the effect of cellular shades on daylighting and glare is yet to be evaluated using field testing. In this study, experimental testing of cellular shades was performed in a real building with emulated occupancy for both a cooling and a heating season. Compared with a room without shades, the use of cellular shades in experimental testing showed incremental energy savings of 4.6% to 9.4% for cooling and higher than 20% for heating. The experimental data were used to calibrate the baseline energy model and validate the cellular shades model. Annual simulation of cellular shades was performed for a medium office prototype building using the validated cellular shades model. The annual simulation was performed in Phoenix, Nashville, and Rochester. The annual savings for HVAC energy was 25% for Phoenix, 27% for Nashville, and 19% for Rochester.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Cummins R-SOFC System Development

The overall purpose of this project was to reduce the Reversible-Solid Oxide Fuel Cell (R-SOFC) system cost by developing two technologies, an improved cell design and the incorporation of an ejector in the fuel recycle loop instead of a blower. A Simulink model of the baseline SOFC system was developed and calibrated with experimental test data. The R-SOFC system model was built by integrating GT Suite developed models of the steam generation components into the baseline Simulink SOFC system model. The ability to run the stack in SOEC operating mode was also added to the model. The system model was used to explore the ability of the R-SOFC system to meet operational constraints on Steam/Carbon ratio and H2 concentration on the fuel side electrode. A CFD ejector model was developed and used to explore a range of ejector design parameters, leading to the final ejector design that was prototyped for testing. A prototype steam ejector was first tested in a laboratory environment using room temperature air. The steam ejector was subsequently tested using the full hot recycle loop with all relevant heat exchangers and steam generation components. The test conditions utilized temperatures, pressures, and flow rates expected in an R-SOFC application. Throughout the experimental testing work, ejector performance test data was used to improve and then validate the CFD ejector model. A CFD cell model was developed and used to optimize thermal gradients, voltage, and cost of a new cell substrate design. A CFD comparison of co-flow and cross-flow cell designs informed the decision to use a co-flow design for the new cell substrate. Multiple rounds of CFD simulation were used to improve the cell design to minimize the variation in air and fuel distribution across cell channels and to minimize the variation in air and fuel distribution across different cells in the stack. A few prototypes of the new cell substrate design were produced and validated in a laboratory environment by thermally spraying and verifying that they met established manufacturing specifications. The cell manufacturing process was adjusted in order to bring these metrics within acceptable tolerances. Cummins’ internal calculations show that the new cell design reduces cost ~50% compared to the baseline cell, while the ejector + superheater/boiler concept reduces cost of the recycle loop by ~40%. The impact of these cost reductions on the cost of producing H2 will depend on the specific system where they are applied. Therefore, a Techno-Economic Analysis was completed using system cost as a variable, and showing how the NREL Current and Future system costs translate into H2 production cost.

Henrichsen, Lars↗

A Comprehensive Simulation Study to Evaluate Future Vehicle Energy and Cost Reduction Potential

Under the umbrella of EERE’s Office of Sustainable Transportation, the U.S. Department of Energy’s (DOE) Vehicle Technologies Office (VTO) and Hydrogen and Fuel Cell Technologies Office (HFTO) seek to develop sustainable, affordable, and efficient technologies for transportation of goods and people. Translating investments in advanced transportation component technologies and powertrains to estimate the potential for vehicle-level fuel savings is critical to understanding DOE’s impact and success in this mission For this study, Argonne National Laboratory (Argonne) simulated technologies funded by VTO and HFTO for light-duty vehicles across the following: Powertrain configurations (conventional, power-split hybrid electric vehicle, extended-range electric vehicle, battery electric drive, and fuel-cell vehicles); Vehicle classes (compact car, mid-size car, small sport utility vehicle [SUV], mid-size SUV, and pickup truck); Fuels (gasoline, diesel, natural gas, hydrogen, and battery electricity). We assessed each technology for five different timeframes: laboratory years 2015 (reference), 2020, 2025, 2030, and 2045. We assumed a delay of 5 years between laboratory year and model year (i.e., the year the technology is introduced into production). Finally, we included uncertainties for both technology performance and cost by considering two cases (note that these cases are not intended as predictions of future performance): Low case , aligned with DOE technology manager estimates of expected original equipment manufacturer (OEM) improvements based on business as usual regulatory and market environments; High case , aligned with aggressive technology advancements based on research and development (R&D) targets developed through support by VTO and HFTO. We estimated the energy and cost impact of different technologies using Autonomie (Argonne undated), a state-of-the-art vehicle system simulation tool developed by Argonne and used to assess the energy consumption, performance, and cost of multiple advanced vehicle technologies. The tool comprises a complete set of vehicle models to assess impacts across a wide range of classes (from light- to heavy-duty), powertrain configurations (from conventional to hybrid electric vehicles [HEVs], fuel cell electric vehicles [FCEVs], plug-in hybrid electric vehicles [PHEVs], and battery electric vehicles [BEVs]), components, and control strategies, including vehicle-level and component-level controls developed and calibrated using dynamometer test data. Autonomie has been used to support a wide range of studies: analyzing various component technologies, sizing powertrain components to meet different vehicle requirements, comparing the benefits of powertrain configurations, optimizing both heuristic and route-based vehicle energy control, and predicting transportation energy use when paired with a traffic modeling tool such as POLARIS. This report documents the assumptions made and the vehicle-level energy consumption benefits and associated technology costs estimated for various types of light-duty vehicles. Details regarding vehicle assumptions and simulation results are available in the spreadsheets accompanying this report.

08 HYDROGEN↗

Optimizing ICEBERG LArTPC Run Configuration for Data Collection

To ensure accurate data collection and diagnostics of the ICEBERG electronics, charge injection runs were completed using a pulser to mimic known charge deposition amounts on the LArTPC wires and collect data for analysis and calibration. This analysis is essential for optimizing the detector's performance by identifying the optimal range of DAC values that avoid saturation zones and provide the best experimental results for non-pulser runs.

Ganguly, Neil↗

Real-World Evaluation of National Energy Efficiency Potential of Cold Storage Evaporator Technology in the Context of Engine Start-Stop Systems

National concerns over energy consumption and emissions from the transportation sector have prompted regulatory agencies to implement aggressive fuel economy targets for light-duty vehicles through the U.S. National Highway Traffic Safety Administration/Environmental Protection Agency (EPA) Corporate Average Fuel Economy (CAFE) program. Automotive manufacturers have responded by bringing competitive technologies to market that maximize efficiency while meeting or exceeding consumer performance and comfort expectations. In a collaborative effort among Toyota Motor Corporation, Argonne National Laboratory (ANL), and the National Renewable Energy Laboratory (NREL), the real-world savings of one such technology is evaluated. A commercially available Toyota Highlander equipped with two-phase cold storage technology was tested at ANL’s chassis dynamometer testing facility. The cold storage technology maintains the thermal state of air-conditioning evaporators to enable longer and more frequent engine-off operation in vehicles equipped with start-stop functionality. Test results were analyzed and provided to NREL where a novel simulation framework was developed and calibrated to the test data. The vehicle model was then exercised over a large set of real-world drive cycle and ambient condition data to estimate national-level fuel economy benefits. Results indicate that the cold storage evaporator provided national fuel consumption reductions of 0.113% relative to a conventional evaporator in the same vehicle. In addition, when the cold storage evaporator engine stop/start was enabled for any temperature and the baseline was limited to the EPA menu, Start and Stop credit assumption of 27°C, a national fuel savings of 0.497% was found. Fuel savings resulted from a combination of extended engine-off duration during idle events and increased frequency of deceleration fuel cutoff, both enabled by the ability of the cold storage evaporator to maintain thermal state in situations where air conditioning is active.

DIRECT ENERGY CONVERSION↗

A framework for ensemble modelling of climate change impacts on lakes worldwide: the ISIMIP Lake Sector

Abstract. Empirical evidence demonstrates that lakes and reservoirs are warming across the globe. Consequently, there is an increased need to project future changes in lake thermal structure and resulting changes in lake biogeochemistry in order to plan for the likely impacts. Previous studies of the impacts of climate change on lakes have often relied on a single model forced with limited scenario-driven projections of future climate for a relatively small number of lakes. As a result, our understanding of the effects of climate change on lakes is fragmentary, based on scattered studies using different data sources and modelling protocols, and mainly focused on individual lakes or lake regions. This has precluded identification of the main impacts of climate change on lakes at global and regional scales and has likely contributed to the lack of lake water quality considerations in policy-relevant documents, such as the Assessment Reports of the Intergovernmental Panel on Climate Change (IPCC). Here, we describe a simulation protocol developed by the Lake Sector of the Inter-Sectoral Impact Model Intercomparison Project (ISIMIP) for simulating climate change impacts on lakes using an ensemble of lake models and climate change scenarios for ISIMIP phases 2 and 3. The protocol prescribes lake simulations driven by climate forcing from gridded observations and different Earth system models under various representative greenhouse gas concentration pathways (RCPs), all consistently bias-corrected on a 0.5∘ × 0.5∘ global grid. In ISIMIP phase 2, 11 lake models were forced with these data to project the thermal structure of 62 well-studied lakes where data were available for calibration under historical conditions, and using uncalibrated models for 17 500 lakes defined for all global grid cells containing lakes. In ISIMIP phase 3, this approach was expanded to consider more lakes, more models, and more processes. The ISIMIP Lake Sector is the largest international effort to project future water temperature, thermal structure, and ice phenology of lakes at local and global scales and paves the way for future simulations of the impacts of climate change on water quality and biogeochemistry in lakes.

58 GEOSCIENCES↗

Understanding the relative importance of vertical and horizontal flow in ice-wedge polygons

Abstract. Ice-wedge polygons are common Arctic landforms. The future of these landforms in a warming climate depends on the bidirectional feedback between the rate of ice-wedge degradation and changes in hydrological characteristics. This work aims to better understand the relative roles of vertical and horizontal water fluxes in the subsurface of polygonal landscapes, providing new insights and data to test and calibrate hydrological models. Field-scale investigations were conducted at an intensively instrumented location on the Barrow Environmental Observatory (BEO) near Utqiaġvik, AK, USA. Using a conservative tracer, we examined controls of microtopography and the frost table on subsurface flow and transport within a low-centered and a high-centered polygon. Bromide tracer was applied at both polygons in July 2015 and transport was monitored through two thaw seasons. Sampler arrays placed in polygon centers, rims, and troughs were used to monitor tracer concentrations. In both polygons, the tracer first infiltrated vertically until encountering the frost table and was then transported horizontally. Horizontal flow occurred in more locations and at higher velocities in the low-centered polygon than in the high-centered polygon. Preferential flow, influenced by frost table topography, was significant between polygon centers and troughs. Estimates of horizontal hydraulic conductivity were within the range of previous estimates of vertical conductivity, highlighting the importance of horizontal flow in these systems. This work forms a basis for understanding complexity of flow in polygonal landscapes.

54 ENVIRONMENTAL SCIENCES↗

Achieving 50% Energy Savings in Chicago Homes: A Case Study for Advancing Equity and Climate Goals

Since 2019, the National Renewable Energy Laboratory (NREL) and Elevate have collaborated to identify pathways to deep energy retrofits in Chicago's housing stock, document equity implications and co-benefits of this transition, and validate the findings by implementing retrofits in real Chicago homes. This document summarizes our analysis process to model advanced retrofit packages that lead to greater than 50% energy savings in Chicago homes. Based on these findings, we have also developed a roadmap with the City to guide implementation, and are deploying the recommended retrofit packages in real Chicago homes to realize these energy savings. This work was developed in collaboration with two key stakeholders - the City of Chicago and Commonwealth Edison (ComEd) - and funded by the U.S. Department of Energy (DOE). NREL's Residential Buildings team maintains the best-in-class ResStock™ energy model of the U.S. residential building stock. For this work, we calibrated ResStock to Chicago's unique local housing stock to accurately simulate energy use in Chicago homes both for current conditions and with various retrofit scenarios. We simulated a wide range of potential building retrofits covering all aspects of residential energy use and then grouped these into packages based on energy and utility bill savings. ResStock can model diverse building types and housing characteristics, so we're able to observe the range of outcomes that might occur when these upgrades are deployed across the entire housing stock. We can then estimate potential energy savings from an advanced retrofit program on Chicago's housing stock by comparing the modeled energy use before versus after a retrofit. This novel version of ResStock, calibrated to Chicago with data from Elevate, can help City officials, ComEd, and other partners plan for community-scale decarbonization via residential retrofits. Specifically, this work contributes the following project goals: Develop a building retrofit prioritization strategy for Chicago single-family and 2- to 4-unit buildings; Identify neighborhoods and home types that have the highest potential for savings from electrification; and Assess the impact of advanced building retrofits on energy use, utility bills, and CO2 emissions at the city and building level. Although this study is specific to Chicago, its methods and learnings are applicable across the United States. These findings are especially notable for heat pumps and electrification retrofits in cold climates.

building energy modeling↗

Optimizing ICEBERG LArTPC Run Configuration for Data Collection

To ensure accurate data collection and diagnostics of the ICEBERG electronics, simulation runs were completed using a pulser to mimic charge deposition on the LArTPC wires and collect data for analysis and calibration. This analysis is essential for optimizing the detector's performance by identifying the optimal range of DAC values that avoid saturation zones and provide the best experimental results for real non-pulser runs.

Ganguly, Neil↗

Commissioning of the Mu2e tracker DAQ, planning for the Vertical Slice Test and pre-pattern recognition studies

The primary objective of the Mu2e experiment at Fermilab is to search for the neutrino-less coherent $\mu \rightarrow e$ conversion in the field of an aluminum nucleus ($\mu^- \text{Al} \rightarrow e^- \text{Al}$). The signature of this process is a monochromatic Conversion Electron (CE) with an energy of approximately 104.97 MeV \cite{bartoszek2015mu2e}. Within the Standard Model (SM), the branching ratio for this process, including neutrino masses and oscillation, is expected to be less than $\mathcal{O}(10^{-50})$. This value is far beyond current experimental capabilities. However, models of physics beyond the SM predict much higher relative rates, approaching an observable level. The SINDRUM II experiment set an upper limit on muon conversion at $7 \times 10^{-13}$ (90\% CL) on Au target \cite{SINDRUMII:2006dvw}, and the Mu2e collaboration aims to improve this limit by four orders of magnitude. Observing this process would provide a clear evidence of physics beyond the Standard Model. A brief discussion of the theoretical and experimental aspects is provided in Chapter \ref{intr}. Mu2e adopts a sophisticated experimental setup to achieve its goals, further described in Chapter \ref{mu2echapter}. The central part of the Mu2e detector is the tracker, that consists of 18 tracking stations. The tracker must provide excellent momentum resolution, approximately 1 MeV/c, to distinguish the monochromatic CE signal from the background. To minimize the energy losses, a straw tube tracker will be used \cite{bobbb}. Chapter \ref{chaptertrk} provides an overview of the straw tracker design and its working principles. This Thesis presents a comprehensive study of the Mu2e tracker, covering complementary aspects from initial commissioning to optimization and first steps of the calibration processes. My work at Fermilab has been focused on the complete Data Acquisition (DAQ) testing from both hardware and software perspectives. I was involved in the commissioning of the Mu2e DAQ system and the Vertical Slice Test (VST) of the tracker. The VST encompasses the entire testing chain, from the straws to the readout, and to processed data on disk. I was also focused on the offline analysis, especially on pre-pattern recognition studies, to explore the best methods for identifying $\delta$-electrons during the data taking. Chapter \ref{commissioning} details the commissioning of the tracker DAQ system, emphasizing the importance of understanding of the readout process before the data acquisition. This includes validating the readout logic and firmware through Monte Carlo simulations to confirm functionality and buffering, monitoring the quality of the data from the tracker preamplifiers and front-end electronics, and assessing overall DAQ performance to ensure reliability during future calibration and data-taking. Chapter \ref{planning} discusses the initial steps towards the tracker calibration. The ultimate goal is to perform a time calibration of the first assembled station of the tracker using cosmic muons, aiming for a longitudinal hit position resolution better than 4 cm. This involves determining the signal propagation times and channel-to-channel delays. I performed a Monte Carlo study to determine the impact of the station orientation on the quality of the calibration, in particular on the cosmic track reconstruction, focusing on potential biases that could arise. These studies provide essential insights into the operation, optimization, and calibration of the Mu2e tracker system. Given the high data volume expected during Mu2e operations, estimated at approximately 7 PBytes per year, optimizing memory usage and minimizing CPU consumption are critical. A significant challenge lies in effectively flagging $\delta$-electron hits, which are the primary source of hits in the tracker, without compromising the efficiency of CE hit detection and track reconstruction. A detailed study of pre-pattern recognition and a thorough comparison of two $\delta$-electron flagging algorithms is provided in Chapter \ref{delta}. In Chapter \ref{conclusions}, the findings are concisely summarized, offering a comprehensive synthesis of the research and emphasizing the key insights derived from this study.

43 PARTICLE ACCELERATORS↗

Calibration of a mesoscale tritium transport model for ceramic breeder materials in TMAP8 using experimental data

Due to the scarcity of the long-term external tritium supply, lithium-containing breeder materials are used in the blanket of fusion reactors to produce tritium faster than the deuterium-tritium fusion reaction consumes it. A cellular breeder is a promising material with higher lithium density and thermal conductivity than conventional ceramic pebbles and enhanced tritium extraction with interconnected pores. Although several experimental and modeling efforts have improved our understanding of tritium transport, the exact mechanisms governing tritium release from breeder materials are still unknown. As a result, current models cannot reliably assess the tritium breeding capabilities of cellular breeder materials. This work presents a tritium transport multiphysics model and calibrates it using experimental data of deuterium absorption and desorption from cellular breeder materials at different temperatures and pressures. This model accounts for ceramic and pore diffusion, trapping and detrapping, and several surface reactions at the pore surface. After calibrating the model and performing sensitivity analysis, we discuss pre-dominant mechanisms governing tritium release from cellular breeder materials. The model is part of the Tritium Migration Analysis Program [TMAP8], a multiscale, multiphysics framework for tritium transport based on the finite element multiphysics framework MOOSE. This study demonstrates some of TMAP8’s capabilities and provides insight into the mechanisms governing tritium transport in cellular ceramic breeder materials.

08 HYDROGEN↗

Recent advances in integrated hydrologic models: Integration of new domains

Over the past several decades, hydrologic models have advanced from independent models of the surface and subsurface to integrated models that can capture the terrestrial hydrologic cycle within one framework. In recent years, these coupled frameworks have seen the inclusion of biogeochemical processes, ecohydrology, sedimentation and erosion, cold region hydrology, anthropogenic activities, and atmospheric processes. This expansion is the result of increased computational, data, and modeling capabilities and capacities, as well as improved understanding of the processes that drive these integrated systems. Here, in this study, we review these recent advances to integrate new processes and systems into existing terrestrial hydrologic models and highlight the significant challenges and opportunities that remain. We identify that with so many models currently available and in development, selecting the most appropriate model is difficult, and we suggest a path for new or novice modelers to find the most appropriate code based on their needs. In addition, data required to parameterize and calibrate these models can often constrain their applicability and usefulness. However, advances in environmental sensors and measurement technology, in addition to data assimilation of non-traditional data (e.g. remote sensing, qualitative data) are providing new ways of addressing this issue. As we expand hydrologic models to integrate more processes and systems, our computational demands also increase. Recent and emerging advances in computational platforms, including cloud and quantum computing, in addition to the use of machine learning to capture some processes, will continue to support the use of increasingly larger and more complex, process-based models. Finally, we highlight that it is critical to develop state-of-the-science models that are accessible to all model users, not just those applied for research and development. We encourage continued development of diverse modeling platforms, considering the user needs, data availability, and computational resources.

54 ENVIRONMENTAL SCIENCES↗