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At least 73 records · Page 4

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↗

Molecular Design Considerations for Azobenzene Anolytes

Realization of high-density batteries requires the development of anolytes that display highly negative reduction potentials, solubility, and persistence in the charged state. Azobenzenes have garnered interest as potential anolytes for redox flow batteries. Here, we report the synthesis of a family of substituted azobenzene derivatives and evaluation of their solution-phase electrochemical properties. Systematic synthetic derivatization of this scaffold allows (1) access to anolytes of varying solubility, including intrinsically liquid derivatives that represent potential high-density charge carriers; (2) systematic variation of the reduction potential, and in some cases redox inventory, that provides azobenzenes with highly negative reduction potentials; and (3) control of the lifetime of the azobenzene radical anions that result from one-electron reduction. Electrokinetic experiments demonstrated that fast electron transfer occurs for all derivatives examined. Spectroscopic characterization of monoreduced azobenzene derivatives establishes that decomposition of the azobenzene radical anion proceeds via bimolecular disproportionation. Together, these results provide an experimental basis for the optimization of azobenzene anolytes for electrochemical storage applications, including redox flow batteries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Simulation of Isotopic Concentrations and Gamma Spectra from Dynamic Fission Sources

A tool was developed to rapidly generate synthetic gamma-ray spectra to evaluate safeguards material control and accounting methods for liquid-fueled molten salt reactors. Molten salt reactor operations pose unique challenges to nuclear safeguards methods and protocols compared to deployed reactors designs (e.g., light water reactors). This research evaluates the use of gamma-ray spectroscopy to monitor fission product isotopic flow through a reactor model to understand expected operations and investigate changes to the spectra with material diversion scenarios. The large design space of molten salt reactors (e.g., liquid-fueled, liquid-cooled, online separations) could potentially lead to many measurement points within the reactor system. The developed analytical tool generates and evaluates synthetic gamma-ray spectra from dynamic reactor simulations by extracting isotopic inventory to generate source terms. An implementation in the Gamma Detector Response and Analysis Software (GADRAS) Application Program Interface (API) uses the source terms, a model of the reactor component, a detector response function, and measurement plan to quickly generate and analyze spectra. Prospective measurements are then evaluated in the more accurate but slower Geant4 simulations. Utilization of the developed modeling tool and analysis of the subsequent spectra enables optimization of collimation, shielding requirements, and expected count rates that are used to determine key measurement points in the modeled reactor design.

O'Brien, Sean↗

Formal Experimentation and Analysis of Handheld RFID Readers as a Tool for Nuclear Material Accounting

Commercial, off-the-shelf Radio Frequency Identification (RFID) systems have been successfully deployed for inventory tracking in numerous industries, but their viability in the tracking of complex environments containing nuclear material is less understood. Of primary interest in this setting is a RFID tracking system for nuclear material accounting which can reliably identify as many tags as possible with high accuracy, while also reducing an operator’s exposure to radiation. In this work, we develop a formal statistical approach to identify relevant handheld RFID reader settings which optimize tagging performance. To achieve this goal, we design a full factorial split-plot experiment for a static shelf configuration scene with 50 randomly placed nuclear material containers affixed with RFID tags. We use Bayesian inference to fit a second-order response surface model which expresses the probability of a successful match for each container as a function of the experimental factors. Such effects are allowed to vary across individual containers and the containers’ population in its entirety to estimate overall effects. Uncertainties of estimates and predictions are quantified via their corresponding posterior distributions. Following extensive model checking and validation, the fitted model is used to identify experimental factors which maximize matching probabilities at both the container-level and for the full shelf configuration scene. We also analyze sensitivity of performance to relevant factors.

25 ENERGY STORAGE↗

Storm-DEPART (Damage Estimate Prediction and Recovery Tool)

Storm-DEPART (Damage Estimate Prediction and Restoration Tool): Each year hurricanes and tropical storms in the United States damage critical infrastructure assets, disrupt the services they provide, and cause millions to billions of dollars in economic impacts due to extended recovery times. The Storm-DEPART tool and analytical output enable more impactful data-driven decision-making capabilities and strengthen national-level disaster preparedness, response, and recovery. Storm-DEPART, built through multi-month collaboration between Entergy and INL, combines Entergy’s critical infrastructure inventory data with weather forecasts to predict damages to Electric utility’s assets due to natural disasters and the estimated recovery support needed, including time, materials, and resource allocation. In the event of an approaching hurricane, this innovative solution can assess potential damage to power generation capacity, transmission grids, distribution networks, and communications assets from wind bands, storm surge, and flooding. With more effective predictions, Entergy can more efficiently allocate resources to mitigate impacts and optimize recovery for customers. Storm-DEPART also allows Electric utilities the ability to apply a planning scenario and model expected damage to better inform infrastructure restoration needs leading to enhance system resiliency. The technology is fully transferrable to other electric utilities with the same damage estimating challenges. The INL team is working on the evolution of Storm-DEPART to include ice event damage prediction framework.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Storm-DEPART (Damage Estimate Prediction and Recovery Tool)

Storm-DEPART (Damage Estimate Prediction and Restoration Tool): Each year hurricanes and tropical storms in the United States damage critical infrastructure assets, disrupt the services they provide, and cause millions to billions of dollars in economic impacts due to extended recovery times. The Storm-DEPART tool and analytical output enable more impactful data-driven decision-making capabilities and strengthen national-level disaster preparedness, response, and recovery. Storm-DEPART, built through multi-month collaboration between Entergy and INL, combines Entergy’s critical infrastructure inventory data with weather forecasts to predict damages to Electric utility’s assets due to natural disasters and the estimated recovery support needed, including time, materials, and resource allocation. In the event of an approaching hurricane, this innovative solution can assess potential damage to power generation capacity, transmission grids, distribution networks, and communications assets from wind bands, storm surge, and flooding. With more effective predictions, Entergy can more efficiently allocate resources to mitigate impacts and optimize recovery for customers. Storm-DEPART also allows Electric utilities the ability to apply a planning scenario and model expected damage to better inform infrastructure restoration needs leading to enhance system resiliency. The technology is fully transferrable to other electric utilities with the same damage estimating challenges. The INL team is working on the evolution of Storm-DEPART to include ice event damage prediction framework.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Chapter 13: All-Electric Vertical Take-Off and Landing Aircraft (eVTOL) for Sustainable Urban Travel

Increasing urbanization, ground congestion, and greenhouse gas emissions have spurred aircraft pioneers to capitalize on advancements in battery technology, electric motors, software, and other advances to develop all-electric vertical take-off and landing (eVTOL) aircraft intended to save travelers time within densely populated urban regions. This study served as an example for conducting a life-cycle analysis (LCA) of an eVTOL aircraft, analyzing its manufacturing process, its in-life operation as a passenger transportation service between urban locations, and (in part) end-of-life treatment. This case study aims to provide guidance on how to accurately conduct eVTOL LCA, particularly on how to define the problem, how to obtain the right information from engineers inside and outside their own organizations, and what areas to focus on. As LCA results are only as accurate as the assumptions that were made, a more rigorous LCA that includes sensitivity analysis and uncertainty characterization can help further understand the limitations of those assumptions. New technologies such as blockchain may also play an important role in LCA, including the life-cycle inventory and improving confidence intervals. Completing a credible LCA is central to supporting the argument in favor of introducing the new technology. Completing such a study will allow companies to demonstrate to relevant stakeholders the likely impact of their aircraft on the environment by quantifying the operational climate footprint of the aircraft and the manufacturing process used to build it. To this end, this case study also provides examples of how to report and present LCA results, optimizing for communications to non-LCA experts. The LCA can also assist in identifying opportunities to improve the environmental performance at various life-cycle stages, informing decision makers as products and manufacturing processes evolve or are redesigned. Given the nascency of both eVTOL aircraft manufacturing and operations, it is strongly recommended that LCA analysts treat reports on eVTOL aircraft as works-in-progress. As new information is found, design changes are made, and the aircraft or operation gains maturity, it is inevitable that some amendments will need to be made to the LCA. It is suggested that a complete overhaul of the LCA be made every 18-24 months throughout the R&D, design, and operational scale-up phases of the project.

ADVANCED PROPULSION SYSTEMS↗

Physics and technology considerations for the deuterium–tritium fuel cycle and conditions for tritium fuel self sufficiency

The tritium aspects of the DT fuel cycle embody some of the most challenging feasibility and attractiveness issues in the development of fusion systems. The review and analyses in this paper provide important information to understand and quantify these challenges and to define the phase space of plasma physics and fusion technology parameters and features that must guide a serious R&D in the world fusion program. We focus in particular on components, issues and R&D necessary to satisfy three 'principal requirements': (1) achieving tritium self-sufficiency within the fusion system, (2) providing a tritium inventory for the initial start-up of a fusion facility, and (3) managing the safety and biological hazards of tritium. A primary conclusion is that the physics and technology state-of-the-art will not enable DEMO and future power plants to satisfy these principal requirements. We quantify goals and define specific areas and ideas for physics and technology R&D to meet these requirements. A powerful fuel cycle dynamics model was developed to calculate time-dependent tritium inventories and flow rates in all parts and components of the fuel cycle for different ranges of parameters and physics and technology conditions. Dynamics modeling analyses show that the key parameters affecting tritium inventories, tritium start-up inventory, and tritium self-sufficiency are the tritium burn fraction in the plasma (f b ), fueling efficiency (η f ), processing time of plasma exhaust in the inner fuel cycle (t p ), reactor availability factor (AF), reserve time (tr) which determines the reserve tritium inventory needed in the storage system in order to keep the plant operational for time t r in case of any malfunction of any part of the tritium processing system, and the doubling time (t d ). Results show that η f f b > 2% and processing time of 1–4 h are required to achieve tritium self-sufficiency with reasonable confidence. For η f f b = 2% and processing time of 4 h, the tritium start-up inventory required for a 3 GW fusion reactor is ~11 kg, while it is <5 kg if η f f b = 5% and the processing time is 1 h. To achieve these stringent requirements, a serious R&D program in physics and technology is necessary. The EU-DEMO direct internal recycling concept that carries fuel directly from the plasma exhaust gas to the fueling systems without going through the isotope separation system reduces the overall processing time and tritium inventories and has positive effects on the required tritium breeding ratio (TBR R ). A significant finding is the strong dependence of tritium self-sufficiency on the reactor availability factor. Simulations show that tritium self-sufficiency is: impossible if AF < 10% for any η f f b , possible if AF > 30% and 1% ≤ η f f b ≤ 2%, and achievable with reasonable confidence if AF > 50% and η f f b > 2%. These results are of particular concern in light of the low availability factor predicted for the near-term plasma-based experimental facilities (e.g. FNSF, VNS, CTF), and can have repercussions on tritium economy in DEMO reactors as well, unless significant advancements in RAMI are made. There is a linear dependency between the tritium start-up inventory and the fusion power. The required tritium start-up inventory for a fusion facility of 100 MW fusion power is as small as 1 kg. Since fusion power plants will have large powers for better economics, it is important to maintain a 'reserve' tritium inventory in the tritium storage system to continue to fuel the plasma and avoid plant shutdown in case of malfunctions of some parts of the tritium processing lines. But our results show that a reserve time as short as 24 h leads to unacceptable reserve and start-up inventory requirements. Therefore, high reliability and fast maintainability of all components in the fuel cycle are necessary in order to avoid the need for storing reserve tritium inventory sufficient for continued fusion facility operation for more than a few hours. The physics aspects of plasma fueling, tritium burn fraction, and particle and power exhaust are highly interrelated and complex, and predictions for DEMO and power reactors are highly uncertain because of lack of experiments with burning plasma. Fueling by pellet injection on the high field side of tokamak has evolved to be the preferred method to fuel a burning plasma. Extrapolation from the DIII-D penetration scaling shows fueling efficiency expected in DEMO to be <25%, but such extrapolations are highly uncertain. The fueling efficiency of gas in a reactor relevant regime is expected to be extremely poor and not very useful for getting tritium into the core plasma efficiently. Gas fueling will nonetheless be useful for feedback control of the divertor operating parameters. Extensive modeling has been carried out to predict burn fraction, fueling requirements, and fueling efficiency for ITER, DEMO, and beyond. The fueling rate required to operate Q = 10 ITER plasmas in order to provide the required core fueling, helium exhaust and radiative divertor plasma conditions for acceptable divertor power loads was calculated. If this fueling is performed with a 50–50 DT mix, the tritium burn fraction in ITER would be ~0.36%, which is too low to satisfy the self-sufficiency conditions derived from the dynamics modeling for fusion reactors. Extrapolation to DEMO using this approach would also yield similarly low burn fraction. Extensive analysis presented shows that specific features of edge neutral dynamics in ITER and fusion reactors, which are different from present experiments, open possibilities for optimization of tritium fueling and thus to improve the burn fraction. Using only tritium in pellet fueling of the plasma core, and only deuterium for edge density, divertor power load and ELM control results in significant increase of the burn fraction to 1.8–3.6%. These estimates are performed with physics models whose results cannot be fully validated for ITER and DEMO plasma conditions since these cannot be achieved in present tokamak experiments. Thus, several uncertainties remain regarding particle transport and scenario requirements in ITER and DEMO. The safety standard requirements for protection of the public and release guidelines for tritium have been reviewed. General safety approaches including minimizing tritium inventories, reducing tritium permeation through materials, and decontaminating material for waste disposal have been suggested.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Integration of the Back End of the Nuclear Fuel Cycle

Management of spent nuclear fuel and high-level radioactive waste consists of three main phases – storage, transportation, and disposal – commonly referred to as the back end of the nuclear fuel cycle. Current practice for commercial spent nuclear fuel management in the United States (US) includes temporary storage of spent fuel in both pools and dry storage systems at operating or shutdown nuclear power plants. Storage pools are filling to their operational capacity, and management of the approximately 2,200 metric tons of spent fuel newly discharged each year requires transferring older and cooler spent fuel from pools into dry storage. Unless a repository becomes available that can accept spent fuel for permanent disposal, projections indicate that the US will have approximately 136,000 metric tons of spent fuel in dry storage systems by mid-century, when the last plants in the current reactor fleet are decommissioned. Current designs for dry storage systems rely on large multi-assembly canisters, the most common of which are so-called “dual-purpose canisters” (DPCs). DPCs are certified for both storage and transportation, but are not designed or licensed for permanent disposal. The large capacity (greater number of spent fuel assemblies) of these canisters can lead to higher canister temperatures, which can delay transportation and/or complicate disposal. This current management practice, in which the utilities continue loading an ever-increasing inventory of larger DPCs, does not emphasize integration among storage, transportation, and disposal. This lack of integration does not cause safety issues, but it does lead to a suboptimal system that increases costs, complicates storage and transportation operations, and limits options for permanent disposal. This paper describes strategies for improving integration of management practices in the US across the entire back end of the nuclear fuel cycle. The complex interactions between storage, transportation, and disposal make a single optimal solution unlikely. However, efforts to integrate various phases of nuclear waste management can have the greatest impact if they begin promptly and continue to evolve throughout the remaining life of the current fuel cycle. A key factor that influences the path forward for integration of nuclear waste management practices is the identification of the timing and location for a repository. The most cost-effective path forward would be to open a repository by mid-century with the capability to directly dispose of DPCs without repackaging the spent fuel into disposalready canisters. Options that involve repackaging of spent fuel from DPCs into disposalready canisters or that delay the repository opening significantly beyond mid-century could add 10s of billions of dollars to the total system life cycle cost.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Battery aging mode identification across NMC compositions and designs using machine learning

A comprehensive understanding of lithium-ion battery (LiB) lifespan is the key to designing durable batteries and optimizing use protocols. Although battery lifetime prediction methods are flourishing, diagnosis of the root causes of aging and degradation have not yet been well developed nor studied for a broad mixture of designs and use cases. Here, we create a machine-learning (ML)-based framework that distinguishes aging modes using multiple electrochemical signatures recorded cycle-by-cycle. The predominant aging behaviors include a combination of loss of active materials in cathode (LAMPE) and a loss of Li inventory (LLI) in Li plating or solid electrolyte interphase (SEI) formation, manifested from 44 batteries representing two cathode chemistries, two electrode loadings, and five charging rates. Here, the aging mode classification accuracy is 86% using features within the first 50 cycles and increases to 88% beyond 225 cycles. The same features can quantify the percentage of end-of-life LAMPE with only 4.3% of error.

25 ENERGY STORAGE↗

Lithium-Ion Battery Life Model with Electrode Cracking and Early-Life Break-in Processes

This paper develops a physically justified reduced-order capacity fade model from accelerated calendar- and cycle-aging data for 32 lithium-ion (Li-ion) graphite/nickel-manganese-cobalt (NMC) cells. The large data set reveals temperature-, charge C-rate-, depth-of-discharge-, and state of charge (SOC)-dependent degradation patterns that would be unobserved in a smaller test matrix. Model structure is informed by incremental capacity analysis that shows loss of lithium inventory and cathode-material loss as the dominant capacity fade mechanisms. The model includes terms attributable to solid-electrolyte interface (SEI) growth, electrode cracking, cycling-driven acceleration of SEI growth, and "break-in" mechanisms that slightly decrease or increase available Li inventory early in life. The study explores what mathematical couplings of these mechanisms best describe calendar aging, cycle aging, and mixed calendar/cycle aging. Various approaches are discussed for extracting relevant stress factors from complex cycling profiles to predict lifetime during real-world battery loads using models trained on constant-current laboratory test results. The complexity of the present human-driven model identification process motivates future work in machine learning to more widely search and statistically discern the optimal model that correctly extrapolates capacity fade based on physical knowledge.

25 ENERGY STORAGE↗

Compatibility of Type 304H Stainless Steel in Static Molten FLiBe for Inertial Confinement Fusion Reactors: Role of Impurities and Redox Control

Molten fluoride salts, such as FLiBe (LiF-BeF2), are promising candidates for tritium breeding and heat transfer in fusion reactors, but corrosion of structural materials remains a major challenge. This study investigates the corrosion behavior of austenitic stainless steel 304H in purified and NiF2-containing FLiBe at 500°C and 600°C, focusing on the effects of impurities and redox control. Exposure to purified FLiBe resulted in the concurrent depletion of Cr, Mn, and Fe, with corrosion at 500 °C dominated by the combined oxide formation and elemental dissolution, while at 600°C elemental depletion was predominant. The addition of a controlled NiF2 impurity significantly accelerated corrosion at both temperatures, demonstrating the sensitivity of 304H to the salt redox state. Beryllium additions were effective in mitigating corrosion for both baseline and NiF2-containing FLiBe; minimal depletion of Cr, Mn, and Fe occurred with Be additions as low as 2.5 mg (147 wppm), and no NiBe intermetallics formed at 5 mg (294 wppm), indicating that small Be inventories can provide substantial protection without deleterious phase formation. Thermodynamic equilibrium and coupled thermodynamic-kinetic analyses at the salt-alloy interface suggested low corrosion rates in systems with limited hydrogen fluoride (HF) generation, highlighting the importance of salt redox control. Estimates for a Be addition rate were calculated for the HYLIFE-II fusion reactor that can mitigate corrosion-induced degradation, assuming complete conversion of tritium to tritium fluoride (TF). Overall, 304H shows reasonable compatibility with FLiBe under optimized redox conditions. These results provide quantitative guidance for material selection and salt management in fusion blanket and heat exchanger systems and motivate validation under flowing, nonisothermal, and irradiated conditions.

Pillai, Rishi [ORNL] (ORCID:0000000243688197)↗

A machine learning approach targeting parameter estimation for plant functional type coexistence modeling using ELM-FATES (v2.0)

Tropical forest dynamics play a crucial role in the global carbon, water, and energy cycles. However, realistically simulating the dynamics of competition and coexistence between different plant functional types (PFTs) in tropical forests remains a significant challenge. This study aims to improve the modeling of PFT coexistence in the Functionally Assembled Terrestrial Ecosystem Simulator (FATES), a vegetation demography model implemented in the Energy Exascale Earth System Model (E3SM) land model (ELM), ELM-FATES. Specifically, we explore (1) whether plant trait relationships established from field measurements can constrain ELM-FATES simulations and (2) whether machine learning (ML)-based surrogate models can emulate the complex ELM-FATES model and optimize parameter selections to improve PFT coexistence modeling. We conducted three ensembles of ELM-FATES experiments at a tropical forest site near Manaus, Brazil. By comparing the ensemble experiments without (Exp-CTR) and with (Exp-OBS) consideration of observed trait relationships, we found that accounting for these relationships slightly improves the simulations of water, energy, and carbon variables when compared to observations but degrades the simulation of PFT coexistence. Using ML-based surrogate models trained on Exp-CTR, we optimized the trait parameters in ELM-FATES and conducted another ensemble of experiments (Exp-ML) with these optimized parameters. The proportion of PFT coexistence experiments significantly increased from 21 % in Exp-CTR to 73 % in Exp-ML. After filtering the experiments that allow for PFT coexistence to agree with observations (within 15 % tolerance), 33 % of the Exp-ML experiments were retained, which is a significant improvement compared to the 1.4 % in Exp-CTR. Exp-ML also accurately reproduces the annual means and seasonal variations in water, energy, and carbon fluxes and the field inventory of aboveground biomass. This study represents a reproducible method that utilizes machine learning to identify parameter values that improve model fidelity against observations and PFT coexistence in vegetation demography models for diverse ecosystems. Our study also suggests the need for new mechanisms to enhance the robust simulation of coexisting plants in ELM-FATES and has significant implications for modeling the response and feedbacks of ecosystem dynamics to climate change.

54 ENVIRONMENTAL SCIENCES↗

Specification of Radionuclide Classes for MELCOR Molten Salt Reactor Simulations

MELCOR has been used extensively to facilitate virtual investigations into severe nuclear accidents for light-water reactors (LWRs). Non-light water reactors (non-LWRs) render some LWR-centric approaches potentially unsuitable. MELCOR has been instrumental in analyzing source terms for LWRs and has recently expanded its applicability to non-LWRs. To simplify radionuclide (RN) tracking, MELCOR currently groups elements into 17 classes, each containing representative species. This grouping, optimized for LWRs, is not appropriate for non-LWRs due to the different chemistry. This necessitates a reevaluation of radionuclide transport modeling. This report introduces a new class scheme for MELCOR tailored to MSR modeling, expanding the current 17 classes to 32 and are explained in the context of a UF 4 fueled FLiBe carrier MSR. It provides a discussion and justification for the new groupings and outlines a methodology for discovering and defining additional classes in MELCOR using a sample calculated RN inventory and a Gibbs energy minimizer (GEM).

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Informed Feature Selection for Data Clustering of CSP Plant Production

To make concentrating solar power (CSP) more cost competitive, rigourous optimizations must be run to improve plant design and operations. However, these optimizaitons rely on time consuming annual simulations that solve an electricity dispatch scheduling problem to maximize plant revenue. To reduce the runtime of annual dispatch simulations of CSP plants, a data clustering approach is utilized. This approach assumes that like days of revenue and electricity generation can be identified using weather and price data. Although weather and price are important factors for electricity production, this work investigates how thermal energy storage (TES) inventory at the beginning of a day, denoted as Si, can be used as a supplemental feature to group like days. A framework for creating and training a deep neural network to predict Si is proposed. This model is validated and assessed using eleven sets of testing data that were not used during training. Then, the data clustering approach is performed three seperate times with features of weather and price along with either Si from the neural network, Si from the full annual simulation, or no Si. Ultimately, the results suggest that using Si as an additional clustering feature improves the data clustering simulation accuracy by 1.4%.

Tuman, Matthew J. (ORCID:000900038772051X)↗

Zero-Emissions Roadmap for Oakland County

This document outlines a strategic pathway for Oakland County, Michigan to achieve zero emissions by 2050 under the Clean Energy to Communities (C2C) Program. The report encompasses analyses and high-level modeling to guide Oakland County in its emission reduction goals. Key methods include establishing an emissions inventory baseline with ongoing evaluation of future projects’ emissions impacts. Core elements include decommissioning old infrastructure, enhancing energy efficiency, deploying hybrid and ground-source heat pumps, and transitioning to electric fleets. It is proposed to structure the planning process into 5-year strategic plans to make the decarbonization process manageable. The document also emphasizes the need for reassessment of goals and periodic updates to remain adaptive to technological advancements and funding considerations. A matrixed approach for evaluating projects by cost and emissions savings is suggested to optimize decision-making given finite resources.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Global kinetic modeling of NH 3 -SCR with two sites of NH 3 storage on Cu-SSZ-13

A comprehensive selective catalytic reduction (SCR) model is developed to detail the global kinetic reactions in the catalyst which is involved in two type of sites for high- and low-temperature NH 3 adsorption/desorption, as well as a low temperature H 2 O storage. The model accounts for the formation of ammonium nitrate in fast SCR and the decomposition formation of ammonium nitrate in the absence of NO, and addresses N 2 O relative to NO and NO 2 reactions with NH 3 . The model has been validated against commercial Cu-SSZ-13 measurements of NH 3 inventory, NH 3 oxidation, NO oxidation, standard SCR, fast SCR and NO 2 SCR at both comprehensive steady-state and transient conditions. In addition, the application of the SCR model for emissions control over a transient drive cycle at cold start was demonstrated based on diesel oxidation catalyst (DOC) and SCR aftertreatment system for a passenger car. In conclusion, the results show that the SCR model can provide the detailed emissions estimations for steady-state and transient conditions, can assist with understanding the impact of the SCR reaction mechanism, and can assist with the design and optimization of SCR catalysts to develop innovative technologies for co-optimization of engine fuel economy and emissions control technologies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Tool Kit for Generating Simulated Radiation Measurements for Advanced Reactor Safeguards and Security

A tool kit was developed to simulate and analyze passive radiation measurements of molten salt reactor (MSR) operations to support development of nuclear safeguards approaches for this emerging reactor technology. A Transient Simulation Framework of Reconfigurable Modules (TRANSFORM) multiphysics simulation of an MSR produces time-dependent isotopic inventories at user-selected locations within the model. The tool kit implements the Gamma Detector Response and Analysis Software (GADRAS) application programming interface to inject the TRANSFORM isotopic inventories extracted/processed by a Python pipeline into GADRAS models of user-defined geometries. The TRANSFORM inventories are the source terms used to obtain synthetic measurements from GADRAS-defined detectors. The speed of TRANSFORM and GADRAS simulations enables surveying the large design space of MSRs (e.g., fuel type, fuel salt composition, number of loops) and the plethora of measurements (e.g., location, detector type, and collimation) within the reactor. This has enabled timely assessment of the various measurement locations and detectors to identify the most effective and efficient safeguards approach for a specific MSR design. Lastly, the tool kit also simulates extracted samples that can be aged to a desired dose, enabling stakeholders to optimize a measurement plan to use sample analysis as an element within a broader material accountancy plan.

Westphal, Greg↗