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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

On the effect of scalar flux weighing of linearly anisotropic scattering matrices in few-group transport calculations

The majority of the codes available for homogenized group constant generation for deterministic transport calculations apply the approximation of scalar flux weighting during energy group condensation of higher-order anisotropic scattering matrices. In this paper, we discuss the effect of scalar flux weighting of the linearly anisotropic scattering matrices in the frame of S P{sub 3} and S{sub 12} calculations performed for a two-dimensional VVER-440 reactor benchmark. To compare group constants generated for two neutron energy groups, an infinite pin cell was homogenized with Serpent 2 and ERANOS ECCO. Serpent 2 applies scalar flux, while ERANOS ECCO performs current weighting of the linearly anisotropic scattering matrices during energy group condensation. For analyzing the effect of the various weighting options, three simple reactor models were built assuming different core sizes using standard rectangular assemblies with 15*15 fuel pins. Diffusion, SP{sub 3} and S{sub 12} calculations were performed for the 3 models using group constants generated with Serpent 2 and ERANOS ECCO. The effect of scalar flux weighting of linearly anisotropic scattering matrices is shown by comparing the decrease in reactivity due to the decreased reactor size, as well as the assembly power distribution to reference results obtained with Serpent 2 Monte Carlo calculations. Neglecting higher than linearly anisotropic scattering and indirect application of diffusion coefficients in higher-order transport calculations is advised if angular flux-moment spectra weighted higher-order scattering matrices cannot be generated. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

BISON capability and validation for U3Si2, Cr2O3-doped UO2, FeCrAl, and Cr-coated Zircaloy ATF concepts

Development, implementation, and validation of material and behavior models for accident tolerant fuel (ATF) concepts in the BISON fuel performance code began in 2014 in response to the events that occurred at the Fukushima Daichii nuclear power plant in March 2011. Early on, the focus was on U3Si2 fuel and FeCrAl cladding as part of a high-impact problem through the Nuclear Energy and Advanced Model- ing Simulation program [1]. Then, developments for Cr2O3- doped UO2 fuel, as well as SiC-SiC and Cr-coated Zircaloy cladding began based upon industry interests. Near the end of fiscal year 2018 the Consortium for Advanced Simulation of Light Water Reactors took over further Accident Tolerant Fuel (ATF) work in BISON in support of Nuclear Regulatory Commission (NRC) engagement. Discussions with the NRC clarified their list of priority fuel and cladding concepts, which included Cr2O3-doped UO2 and U3Si2 fuels, as well as Cr-coated Zircaloy and FeCrAl claddings. Further, reports similar in form to NUREG/CR-7024 [2] that was developed for traditional light water reactor (LWR) materials, UO2 fuel with Zircaloy claddings were created for the priority fuel and cladding concepts. In this paper select details from the reports entitled "ATF material model development and validation for priority fuel concepts" [3] and "ATF material model development and validation for priority cladding concepts" [4] are presented. First, a brief overview of the available models and their associated uncertainty are provided for the priority fuel and cladding concepts. Then, for the concepts with experimental data, comparisons between simulation and experiment are shown taking into account forward uncertainty quantification (UQ) techniques. For the concepts without publicly available experimental data, parametric studies incorporating forward UQ are completed to verify claims made about the materials’ behavior.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS2006

Free-jet Testing of a REST Scramjet at Off-Design Conditions

Scramjet flowpaths employing elliptical combustors have the potential to improve structural efficiency and performance relative to those using planar geometries. NASA Langley has developed a scramjet flowpath integrated into a lifting body vehicle, while transitioning from a rectangular capture area to both an elliptical throat and combustor. This Rectangular-to-Elliptical Shape Transition (REST) scramjet, has a design point of Mach 7.1, and is intended to operate with fixed-geometry between Mach 4.5 and 8.0. This paper describes initial free-jet testing of the heat-sink REST scramjet engine model at conditions simulating Mach 5.3 flight. Combustion of gaseous hydrogen fuel at equivalence ratios between 0.5 and 1.5 generated robust performance after ignition with a silane-hydrogen pilot. Facility model interactions were experienced for fuel equivalence ratios above 1.1, yet despite this, the flowpath was not unstarted by fuel addition at the Mach 5.3 test condition. Combustion tests at reduced stagnation enthalpy indicated that the engine self-started following termination of the fuel injection. Engine data is presented for the largest fuel equivalence ratio tested without facility interaction. These results indicate that this class of three-dimensional scramjet engine operates successfully at off-design conditions.

Smart, Michael K.↗
NASA NTRS2018

GT SUITE Fuel Cell Model Validation with Power Module Test Data

The AES Modular Power Systems (AMPS) Fuel Cell team at the NASA Glenn Research Center (GRC) has created a Microsoft Excel model of a regenerative fuel cell (RFC) system for potential lunar and Martian applications. Due to some limitations of this model, including the ability to predict transient effects in the thermal and fluidic performance of the system, a system-level transient thermal/fluids model was desired. GT-SUITE is a transient multi-physics simulation tool that is popular in the automotive industry and has a built in template for proton exchange membrane (PEM) fuel cells. However, terrestrial fuel cells used in the automotive industry vary significantly from aerospace fuel cells. A validation effort was undertaken to compare GT SUITE model results to actual data collected during the 2015 AMPS Power Module Demonstration in which the AMPS team used a PEM fuel cell system to power a 478 kg rover assembly at the Dunes test site located at GRC. The purpose of the model was to evaluate the efficacy of using GT SUITE to model a non-flow through PEM fuel cell system. The validation effort examined electrochemical performance including fuel cell stack voltage and power supplied, the thermal performance of the stack namely stack temperature and heat rejection rates, and the fluidic performance of the system including pressures, reactant consumption, and water production rates.

Gilligan, Ryan↗
DOE OSTI2022

On the effect of mixing-driven vaporization in a homogeneous relaxation modeling framework

The homogeneous relaxation model (HRM) is one of the most widely used models to describe the liquid–gas phase transition in multiphase flows due to the occurrence of cavitation. However, in its original formulation, the HRM does not account for the presence of ambient gas species, which generally limits its applicability to the injector's internal flow where ambient gases are negligible. In this work, a mixing-driven vaporization (MDV) model was developed to extend the capability of the HRM in handling the mixing effect in the regions external to the nozzle, where vapor–liquid equilibrium for multi-species mixtures of fuel and ambient gas is considered. Herein, to assess the model performance, simulations of the Engine Combustion Network's Spray G injector were performed with the HRM and the MDV model under both flash-boiling and evaporating conditions. It was found that the MDV model led to a better match against x-ray measurements of fuel density in the near-nozzle region. In contrast to the HRM, the MDV model was able to reproduce the vaporization process in the mixing zone at the edge of the fuel jet, which aligns with the expected physics. This resulted in substantial differences in the prediction of other flow characteristics such as mixture temperature and pressure. Furthermore, this work demonstrates that evaporation timescales have a considerable effect on the MDV model's predictions, as shown by a parametric study in which a time factor was introduced to mimic the effect of different timescales due to different phase change mechanisms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Machine learning-based surrogate models and transfer learning for derivative free optimization of HT-PEM fuel cells

Widespread adoption of high-temperature polymer electrolyte membrane electrochemical systems, such as fuel cells (HT-PEMFCs), requires models and computational tools for accurate optimization and guiding new materials for enhancing performance and durability. In this contribution, knowledge-based modelling and data-driven modelling are combined using Few-Shot Learning and implementing an Automated Machine Learning framework for the generation of Machine Learning-based surrogate models. Applicability of the resulting model for derivative-free optimization is demonstrated. Additionally, a way of considering extrapolation in the optimization task is presented. Results show that although extrapolation is needed to achieve better solutions during optimization, it can be monitored and managed. As a result, tuning the electrode ionomer binder's properties, such as ionic conductivity, in the fuel cell represents a promising pathway for improving HT-PEMFC performance.

08 HYDROGEN↗
DOE OSTI2023

Advanced two-phase subchannel method via non-linear iteration

A fast-running, robust two-phase flow, sub-channel model is presented based on non-linear solution of the steady-state subchannel fluid flow equations. The drift-flux model solves for conservation of liquid and vapor mass, mixture energy, and axial and transverse mixture momentum as part of an efficient planar marching scheme and nonlinear, nested outer and inner iteration. Here, models based on mechanistic subcooled boiling, two-phase turbulent void mixing, and drift are included. Solution verification and mesh convergence studies were performed for modern GE 10 × 10 fuel geometry and are shown to have excellent convergence behavior. Run time performance for a 50 axial mesh model showed 2.2 seconds on a single CPU core to tightly converge all 3D distributions (flow, void, pressure) for the GE 10 × 10 fuel geometry, supporting its efficient use within the Virtual Environment for Reactor Applications boiling water reactor framework.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Small Reactors in Microgrids: Technology Modeling and Selection (Net-Zero Microgrid Program Project Report)

This report demonstrates the capabilities of the net-zero microgrid (NZM) Xendee platform for modeling an SR module with electricity, heat extraction and thermal storage in microgrids configurations. The model effectively captures the most important technical and economic considerations for SR technology specific analysis: cost and operational characteristics of SR technology and financial costs and incentives. The model can analyze multiple scenarios to establish metrics for cost-competitive and zero-carbon microgrids connected to the grid or completely isolated. The model is fully integrated within the Xendee platform for modeling and analysis of clean energy microgrids with storage and generation from renewable energy sources. The model captures the capabilities, constraints, and nuances of SR by incorporating parameters related to plant economics, design efficiency and performance, plant operation and component and fuel lifespan. The cost and operational parameters modeled in the SR module are specific to the technology selected for integration in the microgrid. Cost parameters recognize advanced nuclear technology for modular production and installation based on economies of scale from factory manufacture and related commissioning, and cost reduction through technology maturation—first-of-a-kind (FOAK) and nth-of-a-Kind (NOAK). The cost parameters include installation, operations and maintenance (O&M), fuel refueling cycle, and reactor life. Installation cost reflects economies of scale due to unit sizing at scale and colocation. O&M economies of scale for both fixed- and variable-cost fuel life-cycle costs are incurred at every refueling interval, with separate front- and back-end fuel costs, as well as waste-handling and disposition costs. This report investigates key characteristics of different SR technologies suitable for microgrid applications, including design principles, sizing, coolant properties, temperature ratings, fuel structures, and life-cycle considerations. This also includes fuel technologies applicable to these SR systems, alongside strategies for nuclear-waste and spent-fuel management and approaches to address safety, security, and proliferation challenges. Four primary groups of SR technologies are examined: water-cooled, liquid-metal-cooled, high-temperature gas-cooled, and molten-salt-cooled systems. In this report, an initial guideline for technology selection is established, aligning the characteristics of the technologies with the requirements of microgrids. The selection of technology in a microgrid is influenced by various factors, including financial capacity, location and accessibility, demand type and characteristics, reliability and resilience requirements, area constraints, and the lifespan of the microgrid. The types of electrical and non-electrical applications within the microgrid also play a significant role in technology selection. The characteristics of SRs, such as their smaller size, modularity, transportability, long refueling interval, improved safety features, ability to operate in autonomous or semi-autonomous mode, and provision of high-grade heat, are particularly appealing for microgrids. Furthermore, a list of considerations for implementing SRs in microgrids is outlined. The SR model is created to be continuously improved with the acquisition of actual data on investment and operational costs, experience with supply chains, production at scale, and field deployments. In the near term, performance data on applications in microgrids will become available from lessons learned from laboratory tests, such as those planned for the Microreactor Applications Research Validation and Evaluation Project (MARVEL), led by Idaho National Laboratory (INL). The SR model incorporates scenario data and known SR design specifications, enabling technoeconomic analysis for SR deployment in microgrids. It specifically considers the distinctive attributes of SRs as generators in technoeconomic studies. SRs can be modeled and analyzed with generation from renewable-energy sources, energy storage, and flexible loads over a range of functionality and applications. This offers a comprehensive tool for feasibility studies, scenario development, and sensitivity analysis for “what-if” consideration of any range of assumptions about SRs in microgrids and other aggregations of distributed-energy resources, including virtual power plants.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2026

Development of Machine-Learned Interatomic Potentials to Predict Structure, Transport, and Reactivity in Platinum-Based Fuel Cells

Machine-learned interatomic potentials (MLIPs) have rapidly progressed in accuracy, speed, and data efficiency in recent years. However, training robust MLIPs in multicomponent systems remains a challenge. In this work, we train an MLIP to describe hydrated Nafion ionomers and platinum catalysts, which are important components of fuel cells, by constructing a diverse training set to describe the bulk polymer and interfacial catalyst–polymer interactions well. We use our trained MLIP to study the properties of the platinum–Nafion system, including polymer structure, proton mobility in a bulk Nafion polymer and near a platinum-Nafion interface, and reactions near and far from the interface, finding excellent results for structure and reactions contained within our training set. Transport seems to be well described, with both vehicular transport and Grotthuss hopping captured, although converged calculations of diffusivities were not computed because they require calculations of tens of nanoseconds that are challenging with current state-of-the-art MLIPs. The combined insights that this model provides can be leveraged to optimize fuel cell performance, and the approach can be applied to other chemical processes and devices where structure, transport, and reactivity all contribute to the overall observed performance.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2024

Evaluation of flow-induced plate deflection for University of Missouri research reactor low-enriched uranium fuel element

The University of Missouri Research Reactor (MURR), located on the campus of the University of Missouri in Columbia, Missouri, is one of the six United States (U.S.) High Performance Research Reactors (USHPRR), including one critical facility, that are actively collaborating with the U.S. Department of Energy (DOE) National Nuclear Security Administration (NNSA) Office of Material Management and Minimization (M3) Reactor Conversion Program to convert from highly enriched uranium (HEU, ≥20 wt% U-235) fuel to low-enriched uranium (LEU, <20 wt% U-235) fuel. A new type of very high-density LEU fuel based on a monolithic alloy of uranium and 10 wt% molybdenum (U-10Mo) is expected to allow conversion of some USHPRR, including MURR. In the design of its fuel elements, MURR is using thin parallel curved fuel plates separated by coolant channels. In this work, fluid-structure interaction (FSI) analysis of the MURR LEU fuel element is performed at the element level (as compared to the plate level analysis), which models all components of the LEU fuel element, including fuel plates and the supporting structures. Therefore, the effect of supporting structures on the flow distribution within the element and the fuel plate deflection are evaluated. In addition to the element nominal flow rate and dimensions, the tolerances in the geometry of the coolant channel and plate thickness, the effect of a comb on plate deflection, and the uncertainty of the flow rate per element are evaluated. For the LEU fuel plates, which are thinner than the current HEU plates, the predicted plate deflection is found to be small compared to the fabrication and assembly tolerances. Thus, the FSI-induced deflections are not expected to noticeably reduce the coolant flow rate or predicted safety margins in the limiting channels for the MURR LEU fuel element. In addition to the simulation work, a hydraulic performance test of the MURR LEU fuel element is currently being planned to support conversion to the use of LEU fuel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

A Fast Reactor Irradiation Experiment Design in the ATR

Modern modeling techniques were used to investigate a proposed method for fast neutron irradiations in an existing thermal-spectrum reactor, the Advanced Test Reactor (ATR). This method builds upon pre-existing ideas, where fast flux is increased by surrounding the specimens with fissionable “booster fuel” but diverges from historical approaches by using an already developed fuel element design used in the Belgian Reactor 2 (BR2) as the booster fuel while leveraging modern 3-D modeling and simulation techniques. Design evaluations and neutronics simulations were performed to evaluate the performance of a BR2 fuel element irradiated in an ATR flux trap with test pins in the central channel of the BR2 fuel element. These efforts have yielded promising results. Adding a BR2 fuel element in the northeast (NE) flux trap of ATR was predicted to result in a 150% increase to the incident fast neutron flux with a fast (>0.1 MeV) to thermal (<0.625 eV) neutron flux ratio ranging from approximately 50 to 150, dependent on the material used for thermal neutron filtering and volume of moderator within the central channel of the BR2 element. The predicted annual fast neutron fluence (>0.1 MeV) ranges from 7.9 × 1021 to 9.1 × 1021 n/cm2. Given the relatively large fast to thermal neutron flux ratio, the calculated radial power profiles within 4.3 mm outer diameter U10Zr fueled specimens irradiated within the BR2 booster fuel element are adequate representations of those within fast neutron reactors. The predicted radial power profiles are not flat, but they are more prototypic than those seen in advanced fuels tests which began in ATR in 2003. Another distinct advantage of this experiment design is that full-scale test pins can be irradiated to augment the ongoing series of reduced scale advanced fuels tests. The proposed experiment design irradiated within a BR2 fuel element in a flux trap of ATR offers an improved alternative to the current testing of advanced reactor fuels in ATR. Selected results from this design evaluation are presented.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Understanding TRISO Coated Particle Neutron Irradiation Behavior:Evolution of Advanced Micro Analysis and Electron Microscopy Approaches

Objectives and motivation• Provide data for fuel qualification in support of reactor licensing• Establish a domestic commercial TRISO fuel fabrication capability Approach • Focus is on developing and testing UCO TRISO fuel –Develop fuel fabrication and QC measurement methods, first at lab scale and then at industrial scale –Perform irradiation testingover a range of conditions (burnup, temperature, fast neutron fluence) –Perform post-irradiation examination and safety testingto demonstrate and understand performance during irradiation and during accident conditions –Develop fuel performance modelsto better predict fuel behavior –Perform fission product transport experiments to improve understanding and refine models of fission product transport

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

UO 2 -liquid metal suspension fuel concept for enhanced passive safety of LWRs: A heat pipe case study

This work proposes a novel fuel concept for use in light-water type reactors (LWRs): UO 2 particles suspended in a low-melting-point liquid metal (LM). This new fuel form offers lower energy density and higher thermal conductivity, thus enhancing the fuel’s thermal performance compared to sintered UO 2 pellets. Two candidate alloys for the LM are proposed based on previous studies into accident-tolerant fuels: Bi-Pb-Sn and Pb-Sn. Ten research questions are provided to guide future development of this fuel. A simple heat pipe model was constructed by coupling a reactor physics code to a heat transport code and other physics modules. Scoping calculations were performed on this model core as a preliminary investigation into five of the research questions. A fuel with 13 wt% UO 2 was shown to maintain a steady-state peak coolant channel wall temperature below 400 °C, and maintain criticality via self-regulating reactivity feedback. Shortcomings of the present model are discussed in this work, along with proposed future model improvements and fuel development. The appendix provides an example of a reactor concept that could be developed to utilize this fuel, but more modeling and experimental work are needed before a full reactor concept can be developed.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Assessment of MiniFuel Subcapsule Design Recommendations on Previous Experiments

MiniFuel describes the class of separate effects nuclear fuels irradiation experiments that have been conducted in the High Flux Isotope Reactor (HFIR) since 2018. These experiments comprise a stack of six fuel-bearing subcapsules contained in a stainless steel target housing that is in contact with HFIR coolant on its exterior. All MiniFuel targets have a near-standardized architecture, and the primary design variables that change between experiments are the radial gap size between the subcapsule and housing and the target fill gas composition. Finite element heat transfer models are used to determine the optimum gas composition and gap sizes, and recent studies were performed to identify model parameters that contribute the most uncertainty to fuel specimen temperature predictions. That work, which is referenced herein, also recommended a set of design modifications to the subcapsule internal architecture and assembly process. These modifications are intended to reduce fuel temperature uncertainty in future experiments. In this report, the subcapsule design modifications were retroactively applied to a previously conducted MiniFuel experiment to determine how these changes affect the established safety and performance envelope of the experimental capability. These effects were determined in two steps. First, the modifications were applied to the subcapsule design without any other changes to determine their isolated effect on the predicted fuel specimen temperatures. This portion of the analysis showed that fuel temperatures were modestly reduced because the implemented changes improved heat transfer efficacy. Next, traditional MiniFuel design activities (i.e., sizing the gas gaps and determining the fill gas composition) were reperformed, and they confirmed that the original desired fuel temperatures could be achieved while remaining within established safety limits. Therefore, this report demonstrates improved performance resulting from the subcapsule modifications, which mitigate uncertainty while meeting the objectives of past experiments. An additional benefit of the design changes is reduced sensitivity of the fuel temperature to the evolving flux spectrum in HFIR, leading to more stable temperatures and enhanced utility of MiniFuel as a separate effects irradiation platform.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1983

Optimal short range trajectories for helicopters

An optimal flight path algorithm using a simplified altitude state model and an apriori climb-cruise-descent flight profile has been developed and applied to determine minimum fuel and minimum cost trajectories for a helicopter flying a fixed range trajectory. The performance model is based on standard flight manual data and is such that on-line trajectory optimization is feasible with a relatively small computer. The results show that the optimal flight path and optimal cruise altitude can represent a 10 percent fuel saving on a minimum fuel trajectory. The optimal trajectories show considerable variability due to helicopter weight, ambient winds and the relative cost trade-off between time and fuel. In general, 'reasonable' variations from the optimal velocities and cruise altitudes do not significantly degrade the optimal cost.

Slater, G. L.↗
DOE OSTI2025

Assessment of CTF for Steady-state and Transient Post-CHF Conditions in Support of Time-at-Temperature Modeling Applications

The US nuclear industry is exploring options to improve operational economics and uprate the current fleet of light-water reactors by investigating transitioning to cladding performance–based safety criteria as opposed to the current limit, which requires complete avoidance of critical heat flux (CHF)/dryout. Past experience has shown that not all events leading to a dryout are severe enough to cause fuel performance degradation. Allowing temporary dryout of the fuel—that is, using a time-at-temperature (TaT) strategy—could allow for economic improvements via large power uprates and enhanced operational flexibility for current plants without compromising fuel integrity. To support this effort, the US Department of Energy is executing a comprehensive program that includes generating cladding material data under TaT conditions, developing new mechanistic models, and demonstrating modeling and simulation capabilities for transients of interest. This paper presents work performed to assess the CTF thermal-hydraulics subchannel code. CTF is a package used in the VERA core simulator, which will ultimately be used for TaT analysis. CTF will provide the thermal-hydraulic boundary conditions that will be needed for fuel performance analysis in the BISON code. Quantifying both the accuracy and uncertainty of post-CHF models will therefore be necessary. This paper outlines the strategy for the assessment of TaT and presents the results of using the steady-state and transient dryout experiments of the Boiling Fine-mesh Bundle Tests for CTF validation. The results show that the current model tends to overpredict steady-state critical power. This behavior translates to the transient tests, in which CTF is unable to capture transient dryout behavior. Some discussion of sensitivity analysis work being performed is provided to indicate which models must be further analyzed to properly model transient dryout and its uncertainty.

Salko Jr, Robert [ORNL] (ORCID:0000000253566679)↗
DOE OSTI2024

Experimental Combustion and Flame Characterization of a Chemical Looping-Based Oxidative Dehydrogenation Byproduct Fuel Mixture Containing High CO2 Dilution

Abstract This study investigates the combustion performance of a CO2-rich fuel mixture containing ethane and methane as active species using a constant volume combustion chamber. This fuel is obtained as a byproduct of a chemical looping-based oxidative dehydrogenation (Cl-ODH) process ethylene production. The byproduct gas mixture has 40.79% CO2, 39.49% ethane, and 4.88% methane by weight with other minor compounds. Using this fuel for energy extraction would improve the process efficiency of the ethane to ethylene conversion. After initial combustion modeling, the gas fuel mixture was reduced to just the major species: CO2, ethane, and methane. The mixture was then tested for flammability limits and combustion performance under spark-ignition conditions. Effects of ambient conditions like temperatures between 300 and 400 K with initial pressures from 1 to 10 bar were tested. The effects of stoichiometry were tested to understand flame velocities and heat release. The fuel mixture showed an overall reduced flame velocity compared to gasoline. Instability in combustion was believed to be caused by the dissociation of ethane under elevated conditions. At higher pressures, the flame produces lower cumulative heat release. Simulations were also performed using a model tuned to replicate the operations of the combustion chamber used in the experiments. Heat release and unburnt fuel mass data were calculated to identify the discrepancies in the combustion completeness at elevated pressures. The effects of CO2 quenching the flame coupled with the increased dissociation of the fuel species can lead to up to more than 75% of the fuel mixture being unburnt. Data from this study were used to modify a small-scale spark-ignition engine to use this fuel and produce usable energy.

Energy & Fuels↗
DOE OSTI2024

Phase-field modeling for restructuring in the dark zone of high burnup UO 2

This report summarizes the mesoscale modeling work performed in fiscal year 2024 under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program to capture the microstructural evolution and restructuring observed in the dark regions of high burnup UO 2 nuclear fuel. This is the first attempt to realistically simulate the restructuring behavior observed in different region of a high burnup fuel. We employ a grand-potential based phase-field model to concurrently evaluate the formation of subgrains and growth of fission bubbles within the fuel. A energy-based subgrain formation criteria is introduced to simulate the restructuring process. Effect of different initial conditions and different modeling parameters are studies systematically to capture how each of these parameters influence the characteristics of the restructured fuel. It is observed that the subgrain formation begins around existing fission gas bubbles and then proceeds towards triple junctions, grain boundaries and grain interiors. It is demonstrated that restructuring is influenced by a combination of initial dislocation densities, subgrain formation rate, and temperature. Rate of restructuring increases with increase in fuel temperature. A restructuring bias is observed within the microstructure due to variation in defect accumulation among different grains. Furthermore, bubble sizes and distribution does not have a significant effect on rate of restructuring. The predicted microstructures resembles the characteristics of the restructured regions as observed in experiments. Finally, a correlation is presented that demonstrates the evolution of the restructuring volume fraction as a function of local effective burnup. This work provides a first of its kind restructuring model for darkzone that can be used by BISON for performance prediction of high burnup UO 2 fuel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗