Results for “Fuel Performance Modeling” — Page 52

DOE OSTI2025

DECOVALEX-2023: An international collaboration for advancing the understanding and modeling of coupled thermo-hydro-mechanical-chemical (THMC) processes in geological systems

The DECOVALEX initiative is an international research collaboration (www.decovalex.org), initiated in 1992, for advancing the understanding and modeling of coupled thermo-hydro-mechanical-chemical (THMC) processes in geological systems. DECOVALEX stands for “DEvelopment of COupled Models and VALidation against EXperiments”. The creation of this international initiative was motivated by the recognition that prediction of these coupled effects is an essential part of the performance and safety assessment of geologic disposal systems for radioactive waste and spent nuclear fuel. DECOVALEX emphasizes joint analysis and comparative modeling of the complex perturbations and coupled processes in geologic repositories and how these impact long-term performance predictions. The most recent phase of the DECOVALEX Project, here referred to as DECOVALEX-2023, started in early 2020 and ended in late 2023. More than fifty research teams associated with 17 international DECOVALEX partner organizations participated in the comparative evaluation of eight modeling tasks covering a wide range of spatial and temporal scales, geological formations, and coupled processes. This Virtual Special Issue on DECOVALEX-2023 provides an in-depth overview of these collaborative research efforts and how these have advanced the state-of-the-art of understanding and modeling coupled THMC processes. While primarily focused on radioactive waste, much of the work included here has wider application to many geoengineering topics.

Coupled processes↗

NASA NTRS1997

Automotive Gas Turbine Power System-Performance Analysis Code

An open cycle gas turbine numerical modelling code suitable for thermodynamic performance analysis (i.e. thermal efficiency, specific fuel consumption, cycle state points, working fluid flowrates etc.) of automotive and aircraft powerplant applications has been generated at the NASA Lewis Research Center's Power Technology Division. The use this code can be made available to automotive gas turbine preliminary design efforts, either in its present version, or, assuming that resources can be obtained to incorporate empirical models for component weight and packaging volume, in later version that includes the weight-volume estimator feature. The paper contains a brief discussion of the capabilities of the presently operational version of the code, including a listing of input and output parameters and actual sample output listings.

Juhasz, Albert J.↗

DOE OSTI2025

Implications of point defect accumulation on UO 2 thermal conductivity and fission gas release under accelerated fuel irradiation

Evaluation of thermal properties is a crucial factor for nuclear fuel performance. During reactor operation, the accumulation of fission products and irradiation-induced lattice defects are responsible for degradation in thermal conductivity. Consequently, it affects fuel temperature and fission gas release (FGR) among other Multiphysics processes important for economics and safety analysis. We analyze the implications of point defects (PD) accumulation described using a rate theory (RT) Model on lattice thermal conductivity of UO 2 . Here, we demonstrate that fission rate-dependent point defect concentrations have the largest impact on in-pile thermal conductivity in the periphery of light water reactor fuels below a temperature threshold governed by the migration barrier of defects. Our analysis provides a mechanistic description of this phenomena which current fuel performance codes treat empirically. The reduction of thermal conductivity in the low -temperature rim region acts as additional thermal resistance and leads to a temperature notably larger than suggested by Lucuta thermal conductivity correlation. These effects are anticipated to have notable impacts when fuels are exposed to accelerated radiation. The impact of such point defect-informed treatment of thermal conductivity on fuel performance is evaluated by a detailed analysis of fission gas behavior and its release. We consider several models capturing different stages of fission gas bubble evolution and fission gas release (FGR). Finally, a new fission rate-dependent correction to the Lucuta correlation is proposed. The results show a significant reduction in thermal conductivity at the fuels’ periphery and an increase in fuel centerline temperature specifically at low burnups. Ultimately a modified LC shows a higher FGR compared to the original LC, while the acceleration process results in a reduction in overall FGR.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2016

The impact of interface bonding efficiency on high-burnup spent nuclear fuel dynamic performance

Finite element analysis (FEA) was used to investigate the impact of interfacial bonding efficiency at pellet-pellet and pellet-clad interfaces of high-burnup (HBU) spent nuclear fuel (SNF) on system dynamic performance. Bending moments M were applied to FEA model to evaluate the system responses. From bending curvature, κ, flexural rigidity EI can be estimated as EI = M/κ. The FEA simulation results were benchmarked with experimental results from cyclic integrated reversal bending fatigue test (CIRFT) of HBR fuel rods. The consequence of interface debonding between fuel pellets and cladding is a redistribution of the loads carried by the fuel pellets to the clad, which results in a reduction in composite rod system flexural rigidity. Furthermore, the interface bonding efficiency at the pellet-pellet and pellet-clad interfaces can significantly dictate the SNF system dynamic performance. With the consideration of interface bonding efficiency, the HBU SNF fuel property was estimated with CIRFT test data.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS1992

Effect of model selection on combustor performance and stability predictions using ROCCID

The ROCket Combustor Interactive Design (ROCCID) methodology is an interactive computer program that combines previously developed combustion analysis models to calculate the combustion performance and stability of liquid rocket engines. Test data from 213 kN (48,000 lbf) Liquid Oxygen (LOX)/RP-1 combustor with an O-F-O (oxidizer-fuel-oxidizer) triplet injector were used to characterize the predictive capabilities of the ROCCID analysis models for this injector/propellant configuration. Thirteen combustion performance and stability models were incorporated into ROCCID, and ten of them, which have options for triplet injectors, were examined. Calculations using different combinations of analysis models, with little or no anchoring, were carried out on a test matrix of operating combinations matching those of the test program. Results of the computer analyses were compared to test data, and the ability of the model combinations to correctly predict combustion stability or instability was determined. For the best model combination(s), sensitivity of the calculations to fuel drop size and mixing efficiency was examined. Error in the stability calculations due to uncertainty in the pressure interaction index (N) was examined. The recommended model combinations for this O-F-O triplet LOX/RP-1 configuration are proposed.

Giuliani, James E.↗

DOE OSTI2018

Inventory and Waste Characterization Status Report and OWL Update.

This report represents completion of milestone deliverable M2SF-18SNO10309013 "Inventory and Waste Characterization Status Report and OWL Update that reports on FY2018 activities for the work package (WP) SF-18SNO1030901. This report provides the detailed final information for completed FY2018 work activities for WP SF-18SN01030901, and a summary of priorities for FY2019. This status report on FY2018 activities includes evaluations of waste form characteristics and waste form performance models, updates to the OWL development, and descriptions of the two planned management processes for the OWL. Updates to the OWL include an updated user's guide, additions to the OWL database content for wastes and waste forms, results of the Beta testing and changes implemented from it. There are two processes being planned in FY2018, which will be implemented in FY2019. One process covers methods for interfacing with the DOE SNF DB (DOE 2007) at INL on the numerous entries for DOE managed SNF, and the other process covers the management of updates to, and version control/archiving of, the OWL database. In FY2018, we have pursued three studies to evaluate/redefine waste form characteristics and/or performance models. First characteristic isotopic ratios for various waste forms included in postclosure performance studies are being evaluated to delineate isotope ratio tags that quantitatively identify each particular waste form. This evaluation arose due to questions regarding the relative contributions of radionuclides from disparate waste forms in GDSA results, particularly, radionuclide contributions of DOE-managed SNF vs HLW glass. In our second study we are evaluating the bases of glass waste degradation rate models to the HIP calcine waste form. The HIP calcine may likely be a ceramic matrix material, with multiple ceramic phases with/without a glass phase. The ceramic phases are likely to have different degradation performance from the glass portion. The distribution of radionuclides among those various phases may also be a factor in the radionuclide release rates. Additionally, we have an ongoing investigation of the performance behavior of TRISO particle fuels and are developing a stochastic model for the degradation of those fuels that accounts for simultaneous corrosion of the silicon carbide (SiC) layer and radionuclide diffusion through it. The detailed model of the TRISO particles themselves, will be merged with models of the degradation behavior(s) of the graphite matrix (either prismatic compacts or spherical "pebbles") containing the particles and the hexagonal graphite elements holding the compacts.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2014

Toward Verifying Fossil Fuel CO2 Emissions with the CMAQ Model: Motivation, Model Description and Initial Simulation

Motivated by the urgent need for emission verification of CO2 and other greenhouse gases, we have developed regional CO2 simulation with CMAQ over the contiguous U.S. Model sensitivity experiments have been performed using three different sets of inputs for net ecosystem exchange (NEE) and two fossil fuel emission inventories, to understand the roles of fossil fuel emissions, atmosphere-biosphere exchange and transport in regulating the spatial and diurnal variability of CO2 near the surface, and to characterize the well-known ‘signal-to-noise’ problem, i.e. the interference from the biosphere on the interpretation of atmospheric CO2 observations. It is found that differences in the meteorological conditions for different urban areas strongly contribute to the contrast in concentrations. The uncertainty of NEE, as measured by the difference among the three different NEE inputs, has notable impact on regional distribution of CO2 simulated by CMAQ. Larger NEE uncertainty and impact are found over eastern U.S. urban areas than along the western coast. A comparison with tower CO2 measurements at Boulder Atmospheric Observatory (BAO) shows that the CMAQ model using hourly varied and high-resolution CO2 emission from the Vulcan inventory and CarbonTracker optimized NEE reasonably reproduce the observed diurnal profile, whereas switching to different NEE inputs significantly degrades the model performance. Spatial distribution of CO2 is found to correlate with NOx, SO2 and CO, due to their similarity in emission sources and transport processes. These initial results from CMAQ demonstrate the power of a state-of-the art CTM in helping interpret CO2 observations and verify fossil fuel emissions. The ability to simulate CO2 in CMAQ will also facilitate investigations of the utility of traditionally regulated pollutants and other species as tracers to CO2 source attribution.

CMAQ↗

DOE OSTI2022

Thermal performance sensitivity to radial power flattening considerations in Nuclear Thermal Propulsion Reactors

Nuclear thermal propulsion is currently being developed for manned Mars and Lunar missions by the National Aeronautics and Space Administration due to its increased specific impulse and significant thrust to reduce the total trip time and cost of deep space missions. To maximize the performance of the engine the exit hydrogen propellant temperature should, ideally, be uniformly distributed among all the fuel elements. Uniform exit temperatures imply that the power must be flattened as much as possible. This paper leverages decoupled neutronic and thermal-hydraulic models to assess the thermal performance and reactivity tradeoffs associated with flattening the radial power distribution by adjusting the fuel kernel loading for each fuel element within the core. The results suggest that a uniform radial power distribution for a single control drum position will not necessarily yield an optimal core design due to the higher variance in power and thus maximum fuel and exit propellant temperature as the control drums rotate out during operation. The results presented here only point to the design characteristics be considered when core-level multi-physics simulations are applied in the context of a specific mission. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2022

Implementation and testing of physics-based pulverization model in BISON

This report summarizes lower length scale computational research conducted to improve the pulverization criterion for high-burnup UO 2 fuel in the BISON fuel performance code. This research was sponsored by the NEAMS program during FY22. Efforts to improve the model primarily focus on calculating the current pressure of bubbles in the high-burnup structure (HBS) region, as well as the critical bubble pressure at which pulverization occurs in the HBS. The phase-field model for predicting initial bubble pressure in the HBS was improved by implementing a more realistic model for defect production, and by coupling the phase-field model for inter-granular bubble evolution with the spatially-resolved cluster dynamics code Xolotl to simulate intra-granular fission gas evolution. An evolution equation for current bubble pressure was added to BISON, an improvement over the previous model that assumed that bubble pressure was static following HBS formation. To improve calculations of critical bubble pressure for pulverization, 3-D phase-field fracture simulations were performed, and a function for critical bubble pressure was fit—based on the simulation results—to replace the previous function, which had been determined using 2-D simulations. The impacts of these modifications to the existing pulverization assessment cases will be reported in the forthcoming engineering scale milestone on high-burnup UO 2 pulverization. A poromechanics-based approach was used to include the effect of bubble over pressurization on the stress state of the pellet at the engineering scale, and the initial strategy for integration of the pulverization criterion with pellet-scale mechanical degradation using a smeared cracking model was developed. This report also describes the initial research that was conducted to inform a forthcoming transient fission gas release (tFGR) model in BISON. Focusing on the fission gas release caused by pulverization of the outer pellet rim, a model for the amount of fission gas release was developed as a function of fuel porosity, bubble size, and fragment size. Implementation of this model in BISON and its impact of engineering-scale predictions will also be described in the aforementioned engineering-scale milestone on high-burnup UO 2 pulverization.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2017

Triple Plate Mold Final Report: Optimization of the Mold Design and Casting Parameters for a Thin U-10mo Fuel Casting

This work describes the experiments and modeling that have been performed to improve and try to optimize the simultaneous casting of three plates of U-10wt%Mo in a single coil vacuum induction melting (VIM) furnace. The plates of interest are 280 mm wide by 203 mm tall by 5 mm thick (11" x 8" x 0.2"). The initial mold design and processing parameters were supplied by Y-12. The mold and casting cavity were instrumented with a number of thermocouples, and the casting performed to determine the thermal history of the mold and casting. The resulting cast plates were radiographed and numerous defects identified. Metallography was performed to help identify the nature of the radiographically observed defects. This information was then used to validate a mold filling and solidification model of that casting. Based on the initial casting, good casting design practice, and process simulation of several design alternatives, a revised design was developed with the goal of minimizing casting defects such as porosity. The redesigned mold had a larger hot-top and had its long axis along the horizontal direction. These changes were to try to develop a strong thermal gradient conducive to good feeding and minimization of micro- and macroporosity in the cast plates. An instrumented casting was then performed with the revised mold design and a linear distributor. This design yielded cast plates with significantly less radiographically identified defects. Unfortunately, there was significant variation in plate weight and metal content in their hot-tops. Fluid flow simulations were then performed on this mold/distributor design. This helped identify the issue with this linear distributor design. Additional simulations were then performed on candidate distributor redesigns and a preferred distributor annular design was identified. This improved annular design was used to produce a third instrumented casting with favorable results. These refined designs and their radiographic characterization are compared to the initial design.

36 MATERIALS SCIENCE↗

DOE OSTI2023

AGR-5/6/7 Thermal Model with Non-uniform Gas Gaps

Fuel compact temperatures are a crucial factor in assessing the irradiation performance of tri-structural isotropic fuel particles. In the absence of direct measurement, fuel compact temperatures were calculated using a three-dimensional finite element thermal model, which is subject to simulation uncertainty. The most dominant factor in the uncertainty of calculated fuel temperatures is the gas gap uncertainty due to the nub-to-shell clearance caused by a design error of AGR-5/6/7 capsules. The thermal model was revised to examine the most probable graphite offset position for six different days during the irradiation for Capsules 1 and 2. The analysis varied the offset distance and azimuthal direction at both the top and bottom of the holder. The best-fit offset was estimated based on the minimum root mean square error of the residuals (measured minus calculated) for the operational thermocouples (TCs). From these results, the following conclusions were made: (1) The holder offsets led to slightly lower average temperatures but wider temperature variations (lower minimum and higher peak fuel temperatures) for both Capsule 1 and Capsule 2. (2) During earlier cycles (162A–164B), when numerous TCs were still operational, the best-fit offset distance varied over a specific range for both the top and bottom ([0.002–0.0035 in.] for Capsule 1 and [0.003-0.004 in] for Capsule 2). In contrast, the offset azimuthal direction varied widely, especially for the offset at the bottom of the Capsule 1 holder. This is because holder movement was somewhat constrained at the top of Capsule 1 by the TC leads running through the capsule head and into the holder and by the through tubes in Capsule 2, but the Capsule 1 bottom did not have this type of constraint. (3) During later cycles, when all TCs failed, applying the maximum possible offset of 0.006 in. to the northwest direction for both the top and bottom resulted in a calculated peak fuel temperature of 1557? in Capsule 1 (i.e., a 135? increase from 1422? with zero offset on September 20, 2019 (166A)); the maximum offset of 0.0068 in. to the south for both top and bottom resulted in a calculated peak fuel temperature of 1110°C in Capsule 2 on April 20, 2020 (i.e., a 116? increase from 994? with zero offset (168A)). High peak fuel temperatures in Capsule 1 during Cycle 166A could be the cause of massive particle failure near the end of this cycle. (4) Even though the highest temperature at the tip of Type-N TCs, such as TC-1-7, slightly exceeded 1000?, the temperature along the TC wire reached as high as 1335? assuming an offset of 0.006 in. in the northwest of Capsule 1 holder near the end of Cycle 166A. This temperature significantly exceeds the temperature threshold at which TC degradation is expected to occur, ultimately contributing to considerable particle failures in Capsule 1. For eight Type-N TCs in Capsule 2, the peak TC line temperature was much lower (i.e., 1029°C for TC-2-5), assuming maximum offset of 00068 in. to the south during cycle 168A.

advanced gas reactors↗

DOE OSTI2023

AGR-5/6/7 Thermal Model with Non-uniform Gas Gaps

Fuel compact temperatures are a crucial factor in assessing the irradiation performance of tri-structural isotropic fuel particles. In the absence of direct measurement, fuel compact temperatures were calculated using a three-dimensional finite element thermal model, which is subject to simulation uncertainty. The most dominant factor in the uncertainty of calculated fuel temperatures is the gas gap uncertainty due to the nub-to-shell clearance caused by a design error of AGR-5/6/7 capsules. The thermal model was revised to examine the most probable graphite offset position for six different days during the irradiation for Capsules 1 and 2. The analysis varied the offset distance and azimuthal direction at both the top and bottom of the holder. The best-fit offset was estimated based on the minimum root mean square error of the residuals (measured minus calculated) for the operational thermocouples (TCs). From these results, the following conclusions were made: (1) The holder offsets led to slightly lower average temperatures but wider temperature variations (lower minimum and higher peak fuel temperatures) for both Capsule 1 and Capsule 2. (2) During earlier cycles (162A–164B), when numerous TCs were still operational, the best-fit offset distance varied over a specific range for both the top and bottom ([0.002–0.0035 in.] for Capsule 1 and [0.003-0.004 in] for Capsule 2). In contrast, the offset azimuthal direction varied widely, especially for the offset at the bottom of the Capsule 1 holder. This is because holder movement was somewhat constrained at the top of Capsule 1 by the TC leads running through the capsule head and into the holder and by the through tubes in Capsule 2, but the Capsule 1 bottom did not have this type of constraint. (3) During later cycles, when all TCs failed, applying the maximum possible offset of 0.006 in. to the northwest direction for both the top and bottom resulted in a calculated peak fuel temperature of 1557? in Capsule 1 (i.e., a 135? increase from 1422? with zero offset on September 20, 2019 (166A)); the maximum offset of 0.0068 in. to the south for both top and bottom resulted in a calculated peak fuel temperature of 1110°C in Capsule 2 on April 20, 2020 (i.e., a 116? increase from 994? with zero offset (168A)). High peak fuel temperatures in Capsule 1 during Cycle 166A could be the cause of massive particle failure near the end of this cycle. (4) Even though the highest temperature at the tip of Type-N TCs, such as TC-1-7, slightly exceeded 1000?, the temperature along the TC wire reached as high as 1335? assuming an offset of 0.006 in. in the northwest of Capsule 1 holder near the end of Cycle 166A. This temperature significantly exceeds the temperature threshold at which TC degradation is expected to occur, ultimately contributing to considerable particle failures in Capsule 1. For eight Type-N TCs in Capsule 2, the peak TC line temperature was much lower (i.e., 1029°C for TC-2-5), assuming maximum offset of 00068 in. to the south during cycle 168A.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

AGR-5/6/7 Thermal Model with Non-uniform Gas Gaps

Fuel compact temperatures are a crucial factor in assessing the irradiation performance of tri-structural isotropic fuel particles. In the absence of direct measurement, fuel compact temperatures were calculated using a three-dimensional finite element thermal model, which is subject to simulation uncertainty. The most dominant factor in the uncertainty of calculated fuel temperatures is the gas gap uncertainty due to the nub-to-shell clearance caused by a design error of AGR-5/6/7 capsules. The thermal model was revised to examine the most probable graphite offset position for six different days during the irradiation for Capsules 1 and 2. The analysis varied the offset distance and azimuthal direction at both the top and bottom of the holder. The best-fit offset was estimated based on the minimum root mean square error of the residuals (measured minus calculated) for the operational thermocouples (TCs). From these results, the following conclusions were made: (1) The holder offsets led to slightly lower average temperatures but wider temperature variations (lower minimum and higher peak fuel temperatures) for both Capsule 1 and Capsule 2. (2) During earlier cycles (162A–164B), when numerous TCs were still operational, the best-fit offset distance varied over a specific range for both the top and bottom ([0.002–0.0035 in.] for Capsule 1 and [0.003-0.004 in] for Capsule 2). In contrast, the offset azimuthal direction varied widely, especially for the offset at the bottom of the Capsule 1 holder. This is because holder movement was somewhat constrained at the top of Capsule 1 by the TC leads running through the capsule head and into the holder and by the through tubes in Capsule 2, but the Capsule 1 bottom did not have this type of constraint. (3) During later cycles, when all TCs failed, applying the maximum possible offset of 0.006 in. to the northwest direction for both the top and bottom resulted in a calculated peak fuel temperature of 1557? in Capsule 1 (i.e., a 135? increase from 1422? with zero offset on September 20, 2019 (166A)); the maximum offset of 0.0068 in. to the south for both top and bottom resulted in a calculated peak fuel temperature of 1110°C in Capsule 2 on April 20, 2020 (i.e., a 116? increase from 994? with zero offset (168A)). High peak fuel temperatures in Capsule 1 during Cycle 166A could be the cause of massive particle failure near the end of this cycle. (4) Even though the highest temperature at the tip of Type-N TCs, such as TC-1-7, slightly exceeded 1000?, the temperature along the TC wire reached as high as 1335? assuming an offset of 0.006 in. in the northwest of Capsule 1 holder near the end of Cycle 166A. This temperature significantly exceeds the temperature threshold at which TC degradation is expected to occur, ultimately contributing to considerable particle failures in Capsule 1. For eight Type-N TCs in Capsule 2, the peak TC line temperature was much lower (i.e., 1029°C for TC-2-5), assuming maximum offset of 00068 in. to the south during cycle 168A.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2019

Small Ester Combustion Chemistry: Computational Kinetics and Experimental Study of Methyl Acetate and Ethyl Acetate

Explore the source record for details and available documents.

Energy - Conversion, Chemistry - Inorganic, organi↗

DOE OSTI2022

Assessment of Core Physics Characteristics of Extended Enrichment and Higher Burnup LWR Fuels using the Polaris/PARCS Two-Step Approach. Vol. I: PWR Fuel

Nuclear fuel with extended enrichment (235U enrichment within 5-8 wt%) is one of the evolutionary changes that have been pursued in recent years by commercial light water reactor operators and fuel vendors to improve the fuel cycle economy and operation performance of a nuclear plant. This work assesses the performance of the Polaris/PARCS two-step approach in core physics modeling of the pressurized water reactor cores with extended enrichment fuel, referred to as “LEU+” in this report. A representative LEU+ core with a 24-month fuel cycle developed by Southern Nuclear Company (SNC) was modeled using this two-step approach. A representative LEU core with an 18-month fuel cycle was also modeled to provide a reference for the LEU+ core. As expected, significantly more burnable poison absorbers were used in the LEU+ core to accomodate its higher fuel enrichment. Nine different fuel assembly types were modeled using Polaris for each core to generate the assembly cross sections, which were then processed by GenPMAX to prepare the cross-section data for PARCS. The average specific powers of each fuel batch in each core were derived from VERA results and higher specific powers in fresh assemblies were found in the LEU core due to its less total uranium loading included in the VERA LEU model, given that the total core power was assumed to be the same for both cores. PARCS models were developed to simulate the steady-state operations of both cores. PARCS results on the LEU+ core were first compared with the VERA results for verification purpose; good agreements were seen in soluble boron and burnup distribution results, indicating that the Polaris/PARCS modeling and simulation were correctly implemented. Core physics parameters calculated by PARCS, at zero power physics tests, beginning of cycle (BOC), and end of cycle conditions (EOC), were compared between the LEU+ core and the LEU core, including soluble boron concentration, burnup distributions, assembly and pin power peaking factors, fuel temperature reactivity coefficients, moderator temperature and density reactivity coefficients, control rod worth, and shut down margin. The main differences in PARCS results between the LEU+ and the LEU cores are summarized below: 1)The critical boron concentrations were found to be much higher in the LEU+ core than in the LEU core (1582 vs. 1335 ppm for peak values). 2)Higher assembly radial power peaking factors (1.4 vs. 1.3 for peak values), 2D pin peaking factors (1.53 vs. 1.42 for peak values), and 3D pin peaking factors (1.89 vs. 1.81 for peak values) were found in the LEU+ core than in the LEU core. 3)Significantly higher reactivity coefficients of moderator temperature (and density) were found in LEU+ than in LEU.4)Significantly lower control rod worth at EOC were found in LEU+ than LEU for all but one control banks.5)Significantly lower shut down margins were found in the LEU+ core than in the LEU core. The Polaris/GenPMAX/PARCS code suite was found to be capable of modeling the LEU+ PWR core for steady-state operations and no unexpected results in core physics parameters were observed, in spite of that a) several bugs in PARCS were identified and workarounds were used; b) several features were found lacking in the current version of PARCS that would be useful for core modeling. A list of requests for bug fixes and feature upgrades for PARCS originated from this work were transmitted to the code developers. The assessments on the performance of the Polaris/PARCS two-step approach in core modeling for boiling water reactor with LEU+ fuel is ongoing.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS1992

Effect of model selection on combustor performance and stability using ROCCID

The ROCket Combustor Interactive Design (ROCCID) methodology is an interactive computer program that combines previously developed combustion analysis models to calculate the combustion performance and stability of liquid rocket engines. Test data from a 213 kN (48,000 lbf) Liquid Oxygen (LOX)/RP-1 combustor with a O-F-O (oxidizer-fuel-oxidizer) triplet injector were used to characterize the predictive capabilities of the ROCCID analysis models for this injector/propellant configuration. Thirteen combustion performance and stability models have been incorporated into ROCCID, and ten of them, which have options for triplet injectors, were examined in this study. Calculations using different combinations of analysis models, with little or no anchoring, were carried out on a test matrix of operating conditions matching those of the test program. Results of the computer analyses were compared to test data, and the ability of the model combinations to correctly predict combustion stability or instability was determined. For the best model combination(s), sensitivity of the calculations to fuel drop size and mixing efficiency was examined. Error in the stability calculations due to uncertainty in the pressure interaction index (N) was examined. The recommended model combinations for this O-F-O triplet LOX/RP-1 configuration are proposed.

Giuliani, James E.↗

DOE OSTI2011

A Distributed Electrochemistry Modeling Tool for Simulating SOFC Performance and Degradation

This report presents a distributed electrochemistry (DEC) model capable of investigating the electrochemistry and local conditions with the SOFC MEA based on the local microstructure and multi-physics. The DEC model can calculate the global current-voltage (I-V) performance of the cell as determined by the spatially varying local conditions through the thickness of the electrodes and electrolyte. The simulation tool is able to investigate the electrochemical performance based on characteristics of the electrode microstructure, such as particle size, pore size, electrolyte and electrode phase volume fractions, and triple-phase-boundary length. It can also investigate performance as affected by fuel and oxidant gas flow distributions and other environmental/experimental conditions such as temperature and fuel gas composition. The long-term objective for the DEC modeling tool is to investigate factors that cause electrode degradation and the decay of SOFC performance which decrease longevity.

30 DIRECT ENERGY CONVERSION↗

DOE OSTI2024

Mortar-based Cohesive Zone Model with Application to TRISO Particle Debonding

The U.S. Department of Energy’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) program aims to develop predictive capabilities by applying computational methods to the analysis and design of advanced reactor and fuel cycle systems. This program has been providing engineering-scale support for the development of BISON, a high-fidelity and high-resolution fuel performance tool. This report outlines work towards the development of an integrated, mortar-based cohesive zone framework with mechanical contact. We model debonding of tri-structural isotropic (TRISO) layers using a mortar approach, extending the framework used for mechanical contact, using weighted quantities. A bilinear mixed mode traction approach, already used in Jiang et al. (2021), is applied analogously herein to model debonding between TRISO particle layers. The examples include the debonding of the inner pyrolytic carbon (IPyC) from the silicon carbide (SiC) layers, as well as partial and full debonding of the buffer from the IPyC layers. Both 2D and 3D examples are utilized to demonstrate the superior numerical performance of the new mortar approach, which allows for modeling arbitrarily meshed interfaces (i.e., non-matching discretizations).

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗