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Partitioned exponential methods for coupled multiphysics systems

Multiphysics problems involving two or more coupled physical phenomena are ubiquitous in science and engineering. This work develops a new partitioned exponential approach for the time integration of multiphysics problems. After a possible semi-discretization in space, the class of problems under consideration is modeled by a system of ordinary differential equations where the right-hand side is a summation of two component functions, each corresponding to a given set of physical processes. The partitioned-exponential methods proposed herein evolve each component of the system via an exponential integrator, and information between partitions is exchanged via coupling terms. Here, the traditional approach to constructing exponential methods, based on the variation-of-constants formula, is not directly applicable to partitioned systems. Rather, our approach to developing new partitioned-exponential families is based on a general-structure additive formulation of the schemes. Two method formulations are considered, one based on a linear-nonlinear splitting of the right hand component functions, and another based on approximate Jacobians. The paper develops classical (non-stiff) order conditions theory for partitioned exponential schemes based on particular families of T-trees and B-series theory. Several practical methods of third order are constructed that extend the Rosenbrock-type and EPIRK families of exponential integrators. Several implementation optimizations specific to the application of these methods to reaction-diffusion systems are also discussed. Numerical experiments reveal that the new partitioned-exponential methods can perform better than traditional unpartitioned exponential methods on some problems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Active Humidity Control Chamber for Desorption Electrospray Ionization-Mass Spectrometry Imaging Applications

Ambient ionization techniques enable mass spectrometry (MS) to expand into broader experimental contexts, although it is increasingly clear that results are influenced by the environmental conditions at the site of sampling. Desorption electrospray ionization (DESI), in particular, is affected by variations in relative humidity (RH) levels. Here we describe the design, development, and construction of an environmental control chassis that can actively modulate RH within ± 3% of user-defined set points across a broad humidity range (15%–70% RH). Preliminary characterization demonstrated differential analyte responses across a range of set points, with observed enhancement of leucine-enkephalin, sulfadimethoxine (negative mode), and maltose (positive mode) in response to increased humidity. The measurable differences in analyte signals across discrete humidity set points underscore the importance of environmental control in ambient ionization strategies. The humidity control system outlined here can be translated to other DESI platforms, with construction information provided herein.

DESI↗

Integrated Steady-State System Package for Nuclear Thermal Propulsion Analysis Using Multi-Dimensional Thermal Hydraulics and Dimensionless Turbopump Treatment

Nuclear thermal propulsion is an evolving technology that can be utilized for long-distance space travel. This technology yields the advantage of a high thrust and specific impulse, but requires an examination of the potential design adjustments necessary to enhance its feasibility. The development of nuclear thermal propulsion requires a comprehensive understanding of the system-level behavior during transient and steady-state operation. This paper extends our previous research by including the proper handling of turbomachinery with multi-channel thermal hydraulic simulations only for steady-state solutions. The system-level approach presented here enables the treatment of the turbopump components through non-dimensional analysis that eliminates the assumption of constant efficiencies. All the other components within the system (e.g., reflector and core) can be discretized to multiple channels and layers, in which the full thermal hydraulic solution is established. The approach chosen here enables the realistic modeling of the propellant flow within the expander cycle by capturing the pressure losses, mass flow rate splits, and enthalpy gain for various operational conditions. The verification of the package is completed through point comparisons of previous investigations into similar system designs. Furthermore, sensitivity studies are used to benchmark the capabilities of the package and investigate solution variations due to the perturbation of operational conditions and regimes. The sensitivity studies performed here are important to capture variation in flow characteristics (e.g., temperature, pressure, mass flow rates) for different design objectives such as the thrust and specific impulse. This work demonstrates that system-level simulations lacking multi-channel capability and proper turbomachinery treatment may yield higher uncertainties in understanding the engine’s response and characteristics to changing various requirements. This is extremely important when screening the design space of such propulsion systems and when transient simulations are required.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Visualisation and outlier detection for probability density function ensembles

Abstract Exploratory data analysis (EDA) for functional data—data objects where observations are entire functions—is a difficult problem that has seen significant attention in recent literature. This surge in interest is motivated by the ubiquitous nature of functional data, which are prevalent in applications across fields such as meteorology, biology, medicine and engineering. Empirical probability density functions (PDFs) can be viewed as constrained functional data objects that must integrate to one and be nonnegative. They show up in contexts such as yearly income distributions, zooplankton size structure in oceanography and in connectivity patterns in the brain, among others. While PDF data are certainly common in modern research, little attention has been given to EDA specifically for PDFs. In this paper, we extend several methods for EDA on functional data for PDFs and compare them on simulated data that exhibit different types of variation, designed to mimic that seen in real‐world applications. We then use our new methods to perform EDA on the breakthrough curves observed in gas transport simulations for underground fracture networks.

97 MATHEMATICS AND COMPUTING↗

Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing

Designing strong interactions into $π$-conjugated materials can direct their typically uncontrolled molecular packing and is an important strategy toward tuning their technologically relevant properties in the solid state. In this paper we demonstrate unconventional control over solid-state fluorescence and mechanofluorochromism (MFC) through regiochemical substitutions in side chains of 12 three-ring phenylene ethynylenes (PEs) that employ fluoroarene–arene (ArF–ArH) interactions between tetrafluoro ArF pendants and PE main chains to direct crystal packing, with single-atom variations of the lone proton in ArF pendants between 4-hydro, 5-hydro, and 6-hydro substitution yielding in two cases dramatically different fluorescence and MFC behavior. X-ray crystal structures reveal key intermolecular interactions of ArF rings, including their lone protons, which vary as a function of substitution pattern and contribute to optical properties in solids. Rarely reported, particularly with such dramatic results, this systematic study on regiochemical effects over solid-state properties demonstrates the versatility of using discrete, directional interactions of side chains for noncovalent control in conjugated materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Characterizing the microstructures of mammalian enamel by synchrotron phase contrast microCT

The enamel of mammalian teeth is a highly mineralized tissue that must endure a lifetime of cyclic contact and is inspiring the development of next-generation engineering materials. Attempts to implement enamel-inspired structures in synthetic materials have had limited success, largely due to the absence of a detailed understanding of its microstructure. Here, the present work used synchrotron phase-contrast microCT imaging to evaluate the three-dimensional microstructure of enamel from four mammals including Lion, Gray Wolf, Snow Leopard, and Black Bear. Quantitative results of image analysis revealed that the decussation pattern of enamel consists of discrete diazone (D) and parazone (P) bands of rods organized with stacking arrangement of D+/P/D-/P in all mammals evaluated; the D+ and D- refer to distinct diazone bands with juxtaposed rod orientations from the reference plane. Furthermore, the rod orientations in the bands can be described in terms of two principal angles, defined here as the pitch and yaw. While the pitch angle increases from the outer enamel to a maximum (up to ≈ 40°) near the dentin enamel junction, minimal spatial variations are observed in yaw across the enamel thickness. There are clear differences in the decussation parameters of enamel across species that are interpreted here with respect to the structural demands placed on their teeth. The rod pitch and band width of enamel are identified as important design parameters and appear to be correlated with the bite force quotient of the four mammals evaluated.

36 MATERIALS SCIENCE↗

In-line, High-Throughput Quality Monitoring for Fuel Cell and Electrolyzer Components Based on Transmission and Reflection Imaging

During the manufacturing of fuel cell and electrolyzer membranes and membrane electrode assemblies (MEAs), real-time, in-line, high-throughput optical-based quality monitoring methods are essential for detecting defects and monitoring thickness variations, thus improving the performance and increasing the durability of fuel cell and electrolyzer in the hydrogen industry. For the MEAs with very opaque coatings, optical transmission-based imaging has been developed and applied in the Roll-to-Roll system using a flashlight and a high-sensitivity CCD camera. We observed high signal-to-noise ratio images while the Roll-to-Roll system ran at 5 ft/min. The entire sample image could quickly be recovered from the discrete frames using customized Python codes for automatic frame cropping and stitching. We detected significant non-uniformities in our experimental MEAs specimen. For fuel cell and low-temperature electrolysis (LTE) transparent membranes, we used optical reflectance hyperspectral imaging with interference fringe-based thickness mapping. We set up a hyperspectral camera to measure various rolls of commercial membranes. The measurement results are analyzed to find the thickness distribution of each roll and to check for defects. Transmission and reflection imaging-based quality monitoring techniques demonstrated in this project can be widely used in the mass production environment to improve the production yield and performance of hydrogen devices.

DIRECT ENERGY CONVERSION,ENGINEERING↗

DECOVALEX-2023: Task F1 Final Report

DECOVALEX-2023 Task F is a comparison of models and methods for post-closure performance assessment (PA) of a deep geologic repository for radioactive waste. The general aims of Task F are to build confidence in the models, methods, and software used for PA and to stimulate additional research and development in PA methodologies. The task objectives are to motivate development of PA modelling skills and capabilities, to examine the influence of model choices on calculated repository performance, and to compare the uncertainties introduced by model choices to other sources of uncertainty. Task F involves no actual experiment or site. It is a PA modelling exercise that requires the conceptual development of hypothetical repository designs and geologic settings. Because three of the teams were interested in salt and the rest of the teams were interested in crystalline rock, Task F was split into two branches: Task F1 for crystalline rock and Task F2 for salt. This report is for Task F1, crystalline rock. Teams from seven countries (Canada, Czech Republic, Germany, Korea, Sweden, Taiwan, and United States) participated in Task F1. The teams worked together to define the features, events, and processes of the reference case repository and established a set of performance measures. In addition, they defined a set of benchmark problems designed to test and compare modelling capabilities for fracture flow and transport at different scales. The repository design and benchmark problems are documented in a Task Specification that evolved over time as the group honed the specifications. The benchmark problems verified that each team can aptly model flow and transport in fractured media in 1-, 2-, and 3-dimensions. Two general approaches were used for the 3-dimensional benchmarks: discrete fracture network (DFN) and equivalent continuous porous medium (ECPM). DFN modelling involves explicit meshing of each fracture while ECPM modelling aims to capture the effective porosity and directional permeability of each cell in a space-filling mesh as affected by intersecting fractures. In some models, a combination of the two is used, i.e., DFN for large known fractures and ECPM for the rest of the domain. Transport is solved by using either the advection-dispersion equation or particle tracking. Although some variation is observed among model breakthrough curves in the benchmark problems, there is strong agreement in breakthrough behaviour up to at least the 75 th percentile for all benchmarks. At the 90 th percentile, breakthrough results show larger differences, suggesting several models retain substantially higher fractions of tracer in regions of slower moving water. In addition to the flow and transport benchmarks, several teams completed the source term benchmark, verifying capabilities for modelling radionuclide decay and ingrowth, waste package breach, instant release fractions, fuel matrix degradation rates, and radionuclide solubility limitations. The reference case is conceptualized as a generic spent fuel repository at a depth of 450 m in fractured crystalline rock. The repository has 50 parallel backfilled drifts, each with 50 deposition holes 6 m apart. Each deposition hole contains a 4-PWR waste package and bentonite buffer. The rock domain is 5 km in length, 2 km in width, and 1 km in depth. It has 6 deterministic fractured deformation zones and a multitude of stochastic fractures. Teams generally used the ECPM approach for the entire rock or a hybrid approach in which the deterministic fracture zones are modelled with a DFN and the rest of the rock is modelled by ECPM. Of the reference case problems specified, only the results of the initial reference case problem are compared in this report. The initial problem focuses on transport from the deposition holes to the surface, i.e., it neglects waste package performance. Tracers are released at all waste package locations at time zero and tracked for their releases to the near field and ground surface. The water fluxes calculated at the ground surface entry and exit regions of the domain are similar for all models except for two that have considerably lower fluxes. For tracer transport, large differences are observed among models in the magnitude of tracer transported. Much of the difference appears to be due to how the repository is implemented and hence the different degrees of repository simplification. Models that exclude the drifts, buffer, and backfill from the domain tend to show greater release of tracers and radionuclides from the repository. The initial study presented here indicates that major differences in modelling important processes within the repository (e.g., diffusion through buffer and backfill) can produce broadly different release and transport results, especially when those processes are excluded. Even for the models that included all specified features, events, and processes, the results show significant differences and demonstrate the importance of examining multiple modelling approaches in performance assessment. The differences in results observed in this study are expected to motivate teams to either increase complexity in future versions of the reference case models or to improve methods to account for the effects of simplified features and processes. Either way, future improvements in these models are expected to produce results that more closely agree.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Modeling the effect of wind speed and direction shear on utility‐scale wind turbine power production

Abstract Wind speed and direction variations across the rotor affect power production. As utility‐scale turbines extend higher into the atmospheric boundary layer (ABL) with larger rotor diameters and hub heights, they increasingly encounter more complex wind speed and direction variations. We assess three models for power production that account for wind speed and direction shear. Two are based on actuator disc representations, and the third is a blade element representation. We also evaluate the predictions from a standard power curve model that has no knowledge of wind shear. The predictions from each model, driven by wind profile measurements from a profiling LiDAR, are compared to concurrent power measurements from an adjacent utility‐scale wind turbine. In the field measurements of the utility‐scale turbine, discrete combinations of speed and direction shear induce changes in power production of −19% to +34% relative to the turbine power curve for a given hub height wind speed. Positive speed shear generally corresponds to over‐performance and increasing magnitudes of direction shear to greater under‐performance, relative to the power curve. Overall, the blade element model produces both higher correlation and lower error relative to the other models, but its quantitative accuracy depends on induction and controller sub‐models. To further assess the influence of complex, non‐monotonic wind profiles, we also drive the models with best‐fit power law wind speed profiles and linear wind direction profiles. These idealized inputs produce qualitative and quantitative differences in power predictions from each model, demonstrating that time‐varying, non‐monotonic wind shear affects wind power production.

Energy & Fuels↗

Stochastic fracture generation and thermo-hydro-mechanical modeling in an equivalent continuum framework for enhanced geothermal systems

Enhanced geothermal systems (EGS) involve fracturing low permeability material to establish well connectivity and then injecting and circulating fluid into the fractured subsurface for geothermal power production. Changes in fracture aperture from contraction of the cooling matrix rock may alter network connectivity and risk thermal short-circuiting. Thermo-hydro-mechanical (THM) models are a useful tool to study these processes. However, as fracture networks are complex, and data may be limited, fracture networks in THM models are often stochastically generated. Given reliance on stochastic fracture networks and THM modeling to represent the subsurface and assess productivity of EGS, increased understanding of the influence of such statistically derived fracture networks on flow and heat transport in THM models is needed. Here, a new fracture process model is developed in the reactive transport code PFLOTRAN to stochastically generate fracture families and simulate changes in fracture aperture over time due to temperature changes of the rock matrix. Sixty-four different fracture networks ranging from well to poorly-connected, are modeled in PFLOTRAN with and without mechanical processes (THM vs TH). Results indicate that for well-connected fracture networks, thermal short-circuiting is less of a concern due to the abundance of available alternative flowpaths. For poorly-connected fracture networks, inclusion of mechanical processes showed steep thermal drawdown coincident with increase in fracture aperture along developing colder flowpaths, demonstrating the risk of thermal short-circuiting. Simulations with additional, larger fractures engineered to establish connectivity in a poorly-fractured subsurface, indicate that while stochastic variation of fracture orientation of the background network had limited influence, such variation in the engineered fractures significantly affected flow and heat transport.

Discrete fracture networks (DFN)↗

A Comparison of Groundwater Sampling Technologies, Including Passive Diffusion Sampling, for Radionuclide Contamination - 20205

Using traditional high-flow purge methods for long-term water quality monitoring of deep groundwater wells can be expensive, affect contaminant migration, and produce excessive volumes of discharge water that can be difficult to manage. The use of low-flow pumping methods and depth discrete bailers (DDBs) can reduce the cost of sampling deep groundwater wells. In general, using different pumping methods to obtain reproducible and representative groundwater can be challenging. Passive diffusion samplers (PDSs) have successfully been used in long-term monitoring for volatile organic compounds, major ions, and trace-elements, but application has been limited for stable and radioactive isotopes. Beginning in 2018, the United States Geological Survey (USGS) conducted three sampling events to test the ability of PDSs and DDBs to obtain reproducible and representative groundwater samples. The sampled well is completed in a regional, permeable carbonate aquifer and is one in a set of wells that have historically been used for tritium tracer testing. All samples were obtained at 180 m (590 ft) below land surface (bls) in a 13.97 cm (5.5 inch) uncased well that has a total depth of 202 m (662 ft) bls. The first sampling event deployed a regenerated cellulose dialysis membrane (RCDM) PDS for 14 days with deionized water as the blank. The second sampling event deployed a RCDM for 27 days also with deionized water as the blank. The third sampling event deployed a Dual Membrane (DM) PDS for 65 days using a blank of tritium-dead carbonate water. The DM PDS was used to assess the effect of longer term deployment on tritium concentrations and address whether or not the PDSs reached equilibrium with ambient groundwater. The day after each of the three passive samplers were retrieved a DDB was used to obtain discrete non-integrated groundwater samples. For each DDB sampling day, the bailer was lowered into the well 10 consecutive times to determine if the water chemistry changed from the first to the last bailed sample. Quality assurance samples including blanks and duplicates were obtained during all three sampling events. All blank waters had tritium concentrations less than 21±33 pCi/L. Major ion (e.g. calcium, chloride, sodium, and sulfate) results were compared between all samples obtained with RCDM and DDB. Major ion concentrations showed a coefficient of variation of less than 6% between all RCDM and DDB samples; however, the coefficient of variation between the different deployment times and the two different methods for trace-element concentrations was much larger, particularly for manganese (82%), lead (41%), and zinc (33%). Stable isotope values were compared between the RCDM and DDB samples. The DDB sample results all fell within analytical uncertainty and were considered representative of the formation groundwater. The stable isotope values from the RCDM samples indicated that a longer deployment time was necessary to gain equilibrium and to obtain representative groundwater samples. Tritium results from groundwater samples obtained from the RCDM, DM, and DDB indicate that groundwaters obtained with PDSs produced tritium concentrations 2 to 3 times higher (between 1,426 and 3,060±87 pCi/L) than groundwaters obtained with a DDB (479 to 1,219±51 pCi/L). The longer the passive diffusion samplers were deployed, the higher the tritium concentration, suggesting that equilibrium with tritium was not reached within a 27-day deployment. DDB samples showed tritium results declining from the first to the last bailed sample for all three sampling events. This research suggests that tritium results from groundwater samples obtained from PDSs are more reproducible than samples obtained from DDBs. Also, PDSs likely do not accumulate isotopes of water but rather equilibrate with the ambient groundwater. On the other hand, both PDSs and DDBs were able to provide representative groundwater samples for major ions and have the potential to produce representative groundwater samples for stable isotopes of water (δD and δ{sup 18}O). Utilizing the most effective method for sampling groundwater is important for long-term groundwater monitoring. Quantifying the ability of passive diffusion groundwater samplers to obtain representative radioactive chemistry samples will help determine if these methods can be a useful alternative to pumping and purging wells for long-term monitoring. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Analysis of soot formation from aviation fuels in laminar counterflow flames

Combustion emissions from aviation contribute to the formation of condensation trail (contrail) that can lead to the formation of anthropogenic cirrus clouds. Ice particles that form contrails are observed to have a linear correlation with soot particle number density. Synthetic aviation fuels (SAFs) offer a promising route to mitigate the production of soot particles while also increasing energy security. Although studies have focused on combustion and spray behavior, the detailed investigation of soot formation processes for different jet fuels and their impact on models for computational fluid dynamics (CFD) applications is not well understood. Moreover, experimental measurements of soot for canonical flames using Synthetic aviation fuels (SAF) for model validation remain scarce. To address this, we use employed the Lawrence Livermore National Laboratory (LLNL) detailed soot model based on the discrete sectional method. Additionally, we develop two reduced chemical mechanisms for Jet-A and Alcohol-to-Jet (C1) that are suitable for turbulent flame simulations and couple them with the Hybrid Method of Moments (HMOM). The detailed and reduced model frameworks are validated against experimental measurements of soot volume fraction (ƒ ν ) from a counterflow burner experiment previously reported in the literature. Given the good agreement between modeling results and experimental measurements for the (1) spatial distribution of ƒ ν and (2) the non-linear variation of peak ƒ ν with strain rate, we further investigate the modeled sub-processes (nucleation, condensation, surface growth, and oxidation) using the LLNL model to analyze the assumptions in the reduced model framework. Furthermore, the results indicate a significant contribution from resonant radicals to the surface growth of soot particles, which are not accounted for in the current implementation of HMOM and could help reconcile soot predictions by the reduced model with observations.

Counterflow↗

A 4 kV/120 A SiC Solid-State DC Circuit Breaker Powered By a Load-Independent IPT System

This article introduces a 4 kV/120 A solid-state dc circuit breaker (DCCB) based on discrete SiC mosfets. The DCCB is designed in a five-layer tower structure. Each layer consists of a circular main conduction branch and an attached gate driver. There are two primary benefits of the proposed DCCB. First, it reduces conduction loss with multiple devices in parallel. Second, it achieves an ultrafast response speed with SiC mosfets. Moreover, the gate drivers of the DCCB are powered by a domino inductive power transfer (IPT) system. It achieves the load-independent constant-voltage output characteristics, which means the outputs are immune to load variations. Additionally, an IPT system prototype is implemented to test the power transfer performance. At 500-kHz frequency, the total output power reaches 15.73 W, which is sufficient to power on five gate drivers, with a peak transfer efficiency of 75.4%. The IPT system is tested to power a 4 kV/120 A DCCB prototype. It validates that the DCCB is effective to turn off 120 A current within 3.5 μs.

42 ENGINEERING↗

On the relationship between the multi-region relaxed variational principle and resistive inner-layer theory

We show that the variational energy principle of the multi-region relaxed magnetohydrodynamic (MRxMHD) model can be used to predict finite-pressure linear tearing instabilities. In this model, the plasma volume is sliced into sub-volumes separated by 'ideal interfaces', and in each volume the magnetic field relaxes to a Taylor state, where the pressure gradient $\nabla p = 0$. The MRxMHD model is implemented in the Stepped-Pressure Equilibrium Code (SPEC) so that the equilibrium solution in each region is computed while preserving the force balance across the interfaces. As SPEC computes the Hessian matrix (a discretized stability matrix), the stability of an MRxMHD equilibrium can also be computed with SPEC. In this article, using SPEC, we investigate the effect of local pressure gradients and the $\nabla p = 0$ in the vicinity of the resonant surface of a tearing mode. For low-beta plasma, we have been able to illustrate a relationship between the resistive singular-layer theory (Coppi et al 1966 Nucl. Fusion6 101; Glasser et al 1975 Phys. Fluids18 875–88) and the MRxMHD model. Within the singular layer, the volume-averaged magnetic helicity and the flux-averaged toroidal flux are shown to be the invariants for the linear tearing modes in SPEC simulations. Our technique to compute MRxMHD stability is first tested numerically in a cylindrical tokamak and its application in toroidal geometry is demonstrated. We demonstrate an agreement between the stability boundary obtained with SPEC simulation and the resistive inner-layer theories.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Opportunities and Challenges to Capturing Distributed Battery Value via Retail Utility Rates and Programs

Distributed battery deployment is increasing with advanced metering, control, and communication technologies, leaving electric utilities with an under-utilized, flexible grid resource in aggregate. Rates can reflect locational and temporal prices while utility incentive-based programs allow DERs to provide direct grid services. However, utilities must balance accurately reflecting dynamic grid conditions versus simple and feasible design that encourages customer participation. Currently, most rates and incentive-based programs are simple, but as penetration of DER and advanced controls increase, dynamic designs could become prevalent. Utilities could encourage providing multiple services to optimize distributed battery dispatch and value streams, however, challenges persist when stacking services across distribution and bulk systems. A DER committed to multiple discrete services concurrently necessitates coordination between operators and a clear hierarchy of commitments. One way to address this is to separate commitments by time or capacity. For services that follow cyclic, predictable patterns, or those that are peak driven with predictability, an operator could ensure sufficient state of charge for participation, leaving time where a distributed battery could otherwise provide different services by segmenting participation temporally. To provide continuous or unexpected services, a battery operator may use state of charge management to reserve some percentage of the battery and segment participation by capacity. Macroeconomic trends, load patterns, generation profiles, and grid configurations drive variation in value and the subsequent implications for utility offerings and how a customer might participate. As distributed battery adoption increases, both regulators and utilities will need to ensure no adverse grid impacts and encourage provision of societal value beyond the customer domain.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Simulation of a PCM Integrated Heat Pump Using Time-of-Use Utility Structure based Control Strategy for Demand Response

To mitigate the variation in demand on the electric grid, thermal energy storage (TES) is an alternative to electric batteries and constructing new peaking power plants. The aggressive carbon reduction goals of the United States are accelerating the electrification of building equipment. If space heating and cooling in the US were electrified using conventional heat pump technologies, the winter electric grid peak would approximately double. Integrating TES with heat pump (HP) enables electrification of space cooling and heating devices without overtaxing the grid.This paper evaluates the benefits of a novel phase change material (PCM) integrated heat pump configuration via simulation. A one-dimensional PCM heat exchanger model which discretizes the PCM tank and refrigerant tubes into small control volumes is developed. Each control volume can have different PCM temperatures, PCM properties, and heat transfer coefficients. The PCM tank is charged by a wrapped tank condenser and discharged by an internal refrigerant coil. The PCM heat exchanger model is integrated into DOE/ORNL Heat Pump Design Model for heat pump system simulation.To demonstrate the performance of the PCM integrated heat pump, a case study in Chicago was performed. A Time-of-Use utility structure-based control strategy is implemented to schedule the PCM tank charging and discharging mode switching. Compared with a conventional electric heat pump, the PCM integrated heat pump shows superior performance on load shifting and utility cost reduction. As a result, the proposed system demonstrates 24.6% utility saving for cooling application and 25.8% utility saving for heating application.

Li, Zhenning↗

Evaluation of the spatial self-shielding impact for TRISO-based nuclear fuel depletion

Reactor physics analyses of nuclear cores with nuclear fuel concepts containing tristructural isotropic (TRISO) particles, such as pebbles or compact fuel elements, rely on various degrees of simplification to keep these highly heterogeneous problems computationally tractable. One such limitation regards the level of spatial discretization employed during burnup calculations, where traditionally only a limited number of spatial zones are modeled at the full core level and assume that the spectrum is constant within the fuel elements and TRISO particles in this depletion zone. This type of assumption neglects the impact of spatial self-shielding effect within the kernels (microscale level) as well as within the compact or pebbles (mesoscale level). Furthermore, the Monte Carlo code Serpent 2 contains many relevant features for efficiently modeling this type of geometry, including a collision-based domain decomposition intended for very large burnup calculations, which we leveraged for this work to quantify the impact of capturing neutron flux variations occurring at the micro- and mesoscale level on a series of high-temperature gas-cooled reactor fuel element depletion problems. While spatial self-shielding is observed at both scales, with differences from a volume-averaged burnup of ±7% within the kernels and ±2% between TRISO particles within the fuel element, the conjugated effect on nuclide inventories and multiplication factor are negligible, hence confirming that assuming a single average spectrum value may be sufficient for most applications.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗