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At least 127 records · Page 7

Selecting Appropriate Model Complexity: An Example of Tracer Inversion for Thermal Prediction in Enhanced Geothermal Systems

Abstract A major challenge in the inversion of subsurface parameters is the ill‐posedness issue caused by the inherent subsurface complexities and the generally spatially sparse data. Appropriate simplifications of inversion models are thus necessary to make the inversion process tractable and meanwhile preserve the predictive ability of the inversion results. In this study, we investigate the effect of model complexity on fracture aperture inversion and thermal performance prediction in a field‐scale EGS model. Principal component analysis was used to map the aperture field to a low‐dimensional latent space. The complexity of the inversion model was quantitatively represented by the percentage of total variance in the original aperture fields preserved by the latent space. Tracer, pressure and flow rate data were used to invert for fracture aperture through an ensemble‐based inversion method, and the inferred aperture field was used to predict thermal performance. With an over‐simplified aperture model, ensemble collapse occurred. The inverted aperture models failed to resolve necessary flow and transport features, leading to a biased thermal performance prediction. A complex aperture model involved excessive features and was prone to overinterpreting the inversion data. Both the tracer/pressure/flow rate data reproduction and thermal prediction showed significant uncertainties, making it difficult to properly estimate long‐term thermal performance. Fortunately, our results indicate that there exists an appropriate model complexity which can simultaneously match inversion data and predict thermal performance with an acceptable uncertainty. The quality of the fit of tracer data appears to be a useful indicator of such an appropriate model complexity.

15 GEOTHERMAL ENERGY↗

Preliminary Evaluation of Joint Electricity-Hydrogen Concept of Operations

An initial thermal power dispatch (TPD) concept of operations was evaluated that couples a nuclear power plant to a nearby hydrogen production plant. GSE Systems’ generic pressurized water reactor full-scope simulator was modified with a TPD model comprised of a thermal power extraction and delivery system. A prototype human-system interface (HSI) was developed to interact with the TPD model and allow participants to execute the basic operating scenarios for normal operations. Four retired operators performed the evaluation, and due to COVID-19 travel restrictions, the original in-person experimental design was restructured to support a remote participator evaluation using a web meeting platform. Data from operator feedback, observations from the research team, and quantitative survey responses revealed that the initial TPD concept of operations is feasible. The operators were comfortable with the engineered system and HSI and could manage it without adverse impacts to reactor power, plant safety, or equipment. Findings are discussed in terms of both the TPD system design and HSI performance.

human factors↗

Development of a Test-Bed for Testing and Refining EarthEn’s Supercritical CO 2 Based Energy Storage System

EarthEn’s energy storage concept leverages supercritical carbon dioxide (sCO 2 ) as a working fluid and relies on compact, high-performance components operating at elevated pressures and temperatures. To accelerate component development and reduce technical risk prior to larger-scale demonstrations, Oak Ridge National Laboratory (ORNL) developed a 100 kW-scale sCO 2 test-bed under a Cooperative Research and Development Agreement with EarthEn (CRADA NO. NFE-24-10050). The objective of the work was to design and construct a flexible experimental facility capable of reproducing key thermodynamic state points and heat-transfer conditions relevant to EarthEn’s thermal energy storage (TES) cycle, with particular emphasis on enabling development and evaluation of next-generation heat exchangers and TES concepts. The test-bed consists of a closed-loop sCO 2 circulation system housed within an open-topped enclosure. In its as-installed configuration, dense-phase sCO 2 is recirculated through a printed circuit recuperator, an electrically heated section, a throttling device used to simulate turbine expansion, and a water-cooled printed circuit heat exchanger that rejects heat to the building chilled-water system before returning to the pump. The pump is driven by a variable frequency drive, enabling controlled adjustment of flow and operating point. A comprehensive instrumentation suite was integrated to support both safe operation and high-quality data collection. Installed sensors include Coriolis flow meters for sCO 2 flow rate and density, resistance temperature detectors and thermocouples distributed throughout the loop (including the heated section and key heat exchanger ports), and pressure transducers for absolute and differential pressure measurements. The facility was designed to support high-pressure (19 MPa nominal) and high-temperature (575°C nominal) operation with credited overpressure protection provided by a rupture disk. Nominal operating conditions were selected to support 100 kW-class testing while maintaining flexibility for non-heated and heated shakedown, control development, and future integration of advanced TES test sections. In parallel with facility development, a system-level thermal-hydraulic model was created using Modelica-based tools to support component sizing, anticipate performance over targeted test conditions, and establish a framework for future model calibration against experimental data. At the conclusion of the project performance period, the facility was in final assembly, and the pressure boundary was nearly completed. However, several practical challenges associated with high-pressure/high-temperature systems and specialized component procurement impacted schedule and prevented initial pump-driven operation and full commissioning within the available resources. This report documents the as-built design, operating capabilities, and instrumentation, and it summarizes key lessons learned related to heater fabrication and testing, first-of-a-kind assembly factors, specialty flange supply constraints, and fill pump corrective actions. Finally, it outlines a phased plan for future commissioning and experimental campaigns, including control and instrumentation shakedown, heater characterization, model calibration, and testing at state points representative of EarthEn’s TES cycle.

25 ENERGY STORAGE↗

Techno-Economic Analysis of Recuperated Joule-Brayton Pumped Thermal Energy Storage

This article describes a techno-economic model for pumped thermal energy storage systems based on recuperated Joule-Brayton cycles and two-tank liquid storage. Models have been developed for each component, with particular emphasis on the heat exchangers. Economic metrics such as the power and energy capital costs (i.e., per-kW and per-kWh capacity) and levelized cost of storage are evaluated by gathering numerous cost correlations from the literature, thereby enabling estimates of uncertainty. It is found that the use of heat exchangers with effectivenesses up to 0.95 is economically worthwhile, but higher values lead to rapidly escalating component size and system cost. Several hot storage fluids are considered; those operating at the highest temperatures (chloride salts) improve the round-trip efficiency but the benefit is marginal and may not warrant the additional material costs and risk when compared to lower-temperature nitrate salts. Cost-efficiency trade-offs are explored using a multi-objective optimization algorithm, yielding optimal designs with round-trip efficiencies in the range 59-72% and corresponding levelized storage costs of 0.12 0.03 and 0.38 0.10 $/kWhe. Lifetime costs are competitive with lithium-ion batteries for discharging durations greater than 6 h under current scenarios.

Carnot battery↗

Revealing the Crystalline Architecture of Semicrystalline Ion Exchange Membranes for the Design of Conductive and Durable Alkaline Anion Exchange Membranes

Alkaline anion exchange membrane (AAEM) fuel cells offer a cost-effective alternative to proton exchange membrane (PEM) fuel cells by eliminating the need for expensive precious metal catalysts. In both PEMs and AAEMs, semicrystalline polymers are a common choice, as the crystalline domains can act as mechanical reinforcements that limit swelling and promote mechanical durability in the material. However, spatially resolved characterization of crystalline organization in ion exchange membranes beyond ensemble-averaged X-ray scattering is underrepresented, likely in part due to ionization damage limitations in soft materials. Here, in this study, we resolve the nanometer-size crystallites in semicrystalline ion exchange membranes by applying cryogenic four-dimensional scanning transmission electron microscopy (cryo-4D-STEM) along with data-processing algorithms designed to optimize signals at a low dose to minimize radiation damage. We investigate the effects of synthesis components, including molecular weight and thermal treatment, on a model system of AAEMs in comparison to Nafion, the most commonly used and commercially successful PEM today. We find that excess water uptake in polymer membranes, a property directly associated with weak mechanical durability and with possible negative impacts on ion conductivity, can be reduced by over 30% by varying the polymer's crystalline morphology through changes in synthesis parameters such as molecular weight and thermal history. Our results indicate that this improvement is correlated with smaller crystalline domains with a more homogeneous distribution. More broadly, these results demonstrate how the crystalline architecture of polymer membranes can be tuned through their chemistry and thermal treatment in order to improve their conductivity and durability for commercial fuel cell performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Reduced-Order Modeling Method for Phase-Change Thermal Energy Storage Heat Exchangers

Thermal energy storage can facilitate the effective utilization of renewable energy. To speed up the design process of thermal energy storage devices, it is critical to develop fast and accurate modeling methods for phase change material embedded heat exchangers (PCM HXs). This study developed and compared two approximation-assisted reduced-order PCM HX models for the simulation of thermal storage components and systems, which were verified against a validated finite-volume model. They are a pure black-box model, and a grey-box model based on the Number of Transfer Units (or effectiveness-NTU) approach. We used the reduced-order models to predict the performance of standalone PCM HX for 1000 cases with different fluid inlet conditions and HX designs. We also integrated the models with a vapor compression system to predict the compressor energy consumption and total charging time under various conditions. The results show that overall, the black-box model gave more accurate results than the grey-box model. On average, the mean absolute deviation in the PCM HX fluid outlet temperature was 0.05 K and 0.1 K for the black-box model and grey-box model, respectively. The grey-box model gave larger temperature deviation toward the end of the phase change process, due to the simplified two-node PCM representation. On the system level, the mean absolute deviation in compressor energy consumption was 0.2% and 0.3% for the black-box model and grey-box model, respectively. Their mean absolute deviation in total charging time was 1.1% and 2.6%, respectively. In terms of computation efficiency, the system simulation speedup ratio gained by using the reduced-order models was 11 to 57. System simulation time was decreased from an average of 1465 s to an average of 59 s. This shows that the proposed reduced-order modeling methods can be used to predict system performance of PCM HXs with less than 3% accuracy penalty, and 25 times less computational time than finite-volume models, enabling faster design and evaluation of PCM thermal storage devices.

25 ENERGY STORAGE↗

High-Fidelity Multiphysics Assessment of the Molten Chloride Reactor Experiment (MCRE) Integrating Neutronics, Thermal-hydraulics and Thermochemistry

This work presents a MOOSE-based Multiphysics model of the LOTUS MSR reactor system. The model includes the coarse-mesh turbulent thermal-hydraulics including passive advection of delayed neutron precursors of the primary system through Pronghorn, the power density and neutronics calculation employing Griffin, and the chemical interactions through Gibbs energy minimization and redox potential with Thermochimica. Incorporating a plate-out model, the full multi-physics model is used to evaluate the effects of deposition and removal of solid compounds formed in the molten salt in the reactor surfaces, evaluating the concentrations and regions in which nickel, chromium and iron would be deposited. Results indicate an almost isothermal state of the fuel during operation at 25 kW that do not increase the plate-out effects due to low temperature gradients.

21 - SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLAN↗

High dopant activation in arsenic doped single-crystal CdTe thin films: Insights from MBE growth and rapid thermal processing

Single-crystal model systems are valuable tools to investigate fundamental material properties. In this work, we use molecular beam epitaxy to deposit in situ arsenic (As) doped single-crystal CdTe films on large area Si substrates to better understand As doping for photovoltaic applications. We found that As incorporation is highly temperature dependent: a substrate temperature difference of 50 °C can lead to several orders of magnitude difference in As concentration. Cd overpressure during in situ doping may limit out-diffusion of As but decrease As incorporation, especially at lower growth temperatures. Carrier concentrations greater than 10 16 cm −3 can be achieved with or without Cd overpressure when annealed at temperatures above 500 °C. However, unlike the low (∼1% to 5%) dopant activation commonly observed in polycrystalline CdTe, our films achieve significantly higher activation ratios—exceeding 50%, and in some cases approaching 80%. These values are consistent with or exceed prior reports in single-crystal CdTe systems. In addition to as-deposited arsenic concentrations, we also consider arsenic distribution after different rapid thermal processing temperatures. We propose a detailed definition and description of how arsenic incorporation is considered and calculated. Due to carrier concentration saturation, As incorporation also needs to be controlled to average levels of 10 17 cm −3 to achieve high activation. These findings suggest that higher annealing temperature regimes may be beneficial to polycrystalline CdTe based PV devices.

36 MATERIALS SCIENCE↗

Digital Twin Development of FASTR

This work package is focused on creating a digital twin (DT) of the Facility to Alleviate Salt Technology Risks (FASTR) experiment. FASTR is a high-profile facility tasked with maturing molten salt applications such as liquid salt energy storage, concentrated solar power facilities, and molten salt cooling systems supporting other advanced reactor technologies, all of which may be incorporated as components within the Integrated Energy Systems (IES) program. As part of creating a digital twin (DT), verification and validation (V&V) has been performed for the physics-based model, and gaps have been identified. Additionally, a preliminary integration of the FASTR model has been completed with the existing physics-based model of the Thermal Energy Distribution System (TEDS)/Microreactor AGile Non-nuclear Experimental Testbed (MAGNET) facility at Idaho National Laboratory (INL). A Functional Mock-up Unit (FMU) of the physics-based system model and a reduced-order model (ROM) were both used to test for a preliminary hardware in the loop operation when the physical loop was offline. Future tasks could include improving the physics-based model to better match the available experimental data, improving the hardware in the loop integration, and improving the integration with the TEDS model.

14 SOLAR ENERGY↗

Electronic structure prediction of multi-million atom systems through uncertainty quantification enabled transfer learning

The ground state electron density — obtainable using Kohn-Sham Density Functional Theory (KS-DFT) simulations — contains a wealth of material information, making its prediction via machine learning (ML) models attractive. However, the computational expense of KS-DFT scales cubically with system size which tends to stymie training data generation, making it difficult to develop quantifiably accurate ML models that are applicable across many scales and system configurations. Here, we address this fundamental challenge by employing transfer learning to leverage the multi-scale nature of the training data, while comprehensively sampling system configurations using thermalization. Our ML models are less reliant on heuristics, and being based on Bayesian neural networks, enable uncertainty quantification. We show that our models incur significantly lower data generation costs while allowing confident — and when verifiable, accurate — predictions for a wide variety of bulk systems well beyond training, including systems with defects, different alloy compositions, and at multi-million-atom scales. Moreover, such predictions can be carried out using only modest computational resources.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Renewable Thermal Hybridization Framework for Industrial Process Heat Applications

Renewable thermal energy systems (RTES) could be hybridized with different renewable options (e.g., flat plate collectors (FPCs) with parabolic collectors), or combined with existing heat supplies (e.g., fossil fuels), to give options for targeted solar IPH applications, industrial decarbonization and the reduction of fuel consumption. Buildings and industrial thermal energy applications require different temperature ranges, quantities, and rates of thermal energy, and as such require flexible, cost competitive solutions, able to provide heat over various temperature ranges. Hybrid solutions and thermal energy storage (TES) will be important for the dispatch of heat at optimal times needed by the demand side of the buildings and industrial applications. A variety of tools and platforms, such as the System Advisor Model (SAM), can provide hourly thermal yield simulations from single renewable energy (RE) technology options, including FPCs or CSP for solar IPH. We have investigated a variety of approaches to hybrid system modeling for RTES at different temperatures or combinations of technologies and developed an initial framework. The hybridization framework starts by creating a heat stream and raising the temperature of that heat stream by various combinations of RE technologies and other sources such as fossil fuels, new fuels or electric heating in multiple stages, with options for TES and/or waste heat recovery (WHR).

43 PARTICLE ACCELERATORS↗

NREL Capabilities for TMCES

This is a panel presentation covering NREL's capabilities in the thermal-mechanical energy storage space, including ARIES, component R&D, and modeling tools and datasets.

25 ENERGY STORAGE↗

System code evaluation of near-term accident tolerant claddings during pressurized water reactor station blackout accidents

Following the Fukushima Daiichi nuclear accident in 2011, researches on Accident-tolerant fuels (ATFs) are currently of high interest in not only the nuclear industry but also governmental and international organizations. In this work, a quantitative evaluation of the performance of monolithic FeCrAl cladding and Cr-coated Zircaloy cladding has been performed for Pressurized Water Reactor (PWR) Station Blackout (SBO) accidents. A generic PWR model has been built in system thermal-hydraulics code TRACE based on the Surry Nuclear Power Station with counter-current natural circulation modelling capability for hotleg and steam generator U-tube components during the accidents. The base model results are then compared to MELCOR and RELAP simulations to verify the system component implementation in TRACE. Two PWR SBO scenarios were investigated, including: short-term SBO and long-term SBO with early reactor coolant pump (RCP) seal failure. These scenarios are defined to be very similar to the accidents studied in the State-of-the-Art Reactor Consequence Analysis (SOARCA) project. TRACE code is modified to reflect the oxidation kinetics of FeCrAl and Cr-coating. Larson-Miller creep rupture model is also implemented in TARCE using its built-in control systems to simulate the creep rupture of hotlegs. Additionally, the comparison between the TRACE models with and without the counter-current flow modeling resulted in significant difference when comparing ATF cladding to Zircaloy for short term SBO, while it marginal impacted the performance during long term SBO with RCP seal failure. For short term SBO, both ATF cladding underwent hot leg creep rupture ~20 min after Zircaloy cladding. While Zircaloy and Cr-coated cladding had generated significant amount of hydrogen gas (>10 kg) before the creep rupture event, FeCrAl cladding had only generated <0.5 kg of hydrogen gas. For long term SBO with RCP seal failure, significant hydrogen generation and fuel melting was predicted before hot leg creep rupture for the ATF cladding while providing only 10–20 min additional coping time compared to Zircaloy.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Release on the Virtual Test Bed of a Molten Salt Reactor Experiment SAM-Pronghorn Coupled Model using the Domain Overlapping Approach

The nuclear industry is taking leaps in innovations with companies seeking a sustainable energy future through advanced nuclear reactors. The Department of Energy (DOE)’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) program seeks to substantiate and bolster the deployment of advanced reactors through flexible multifidelity, multiphysics simulations of advanced nuclear reactors. Applications like SAM for one-dimensional systems thermalhydraulics, and Pronghorn for multidimensional coarse mesh thermal-hydraulics, are geared to support innovations in industry by facilitating design, optimization, and licensing of advanced nuclear reactors. Coupling systems thermal-hydraulics and computational fluid dynamics codes can be difficult as the pressure coupling converges slowly; however, it is important to obtain the desired accuracy in each part of the primary loop. The authors of this model created an Overlapping-Domain Coupling (ODC) approach to coupling SAM and Pronghorn. Leveraging this coupling technique, a Molten Salt Reactor Experiment (MSRE) model was developed and released to the NEAMS/National Reactor Innovation Center (NRIC) Virtual Test Bed (VTB). The MSRE was chosen to be modeled because of the wealth of experimental data available and because of the strong physics coupling between the core and primary circuit. This paper contextualizes the history of the MSRE, describes the thermal hydraulics models used, and detail the implementation of multidimensional thermal-hydraulics and system codes based on the ODC method for the MSRE model. Finally, this paper presents how other modelers could apply the SAM Pronghorn ODC for other advanced reactor models.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗