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DOE OSTI2013

Novel biofuel formulations for enhanced vehicle performance

This interdisciplinary research program at Michigan State University, in collaboration with Ford Motor Company, has explored the application of tailored or designed biofuels for enhanced vehicle performance and reduced emissions. The project has included a broad range of experimental research, from chemical and biological formation of advanced biofuel components to multicylinder engine testing of blended biofuels to determine engine performance parameters. In addition, the project included computation modeling of biofuel physical and combustion properties, and simulation of advanced combustion modes in model engines and in single cylinder engines. Formation of advanced biofuel components included the fermentation of five-carbon and six-carbon sugars to n-butanol and to butyric acid, two four-carbon building blocks. Chemical transformations include the esterification of the butyric acid produced to make butyrate esters, and the esterification of succinic acid with n-butanol to make dibutyl succinate (DBS) as attractive biofuel components. The conversion of standard biodiesel, made from canola or soy oil, from the methyl ester to the butyl ester (which has better fuel properties), and the ozonolysis of biodiesel and the raw oil to produce nonanoate fuel components were also examined in detail. Physical and combustion properties of these advanced biofuel components were determined during the project. Physical properties such as vapor pressure, heat of evaporation, density, and surface tension, and low temperature properties of cloud point and cold filter plugging point were examined for pure components and for blends of components with biodiesel and standard petroleum diesel. Combustion properties, particularly emission delay that is the key parameter in compression ignition engines, was measured in the MSU Rapid Compression Machine (RCM), an apparatus that was designed and constructed during the project simulating the compression stroke of an internal combustion engine under highly instrumented conditions. Simulation of and experimentation on combustion in single and multicylinder engines was carried out in detail throughout the project. The combustion behavior of biofuel blends neat and in petroleum were characterized in the MSU optical engine, in part to validate results obtained in the RCM and to provide data for comparison with simulations. Simulation of in- cylinder, low-temperature combustion included development of an extensive fuel injection model that included fuel spray breakup, evaporation, and ignition, along with prediction of cylinder temperature, pressure, and work produced. Single cylinder and multicylinder engine tests under advanced low-temperature combustion conditions conducted at Ford Motor Company validated experimental and simulation results obtained in the MSU engine and in MSU simulations. Single cylinder engine tests of an advanced biofuel containing biodiesel and dibutyl succinate, carried out under low-temperature combustion conditions, showed similar power generation and gas-phase emissions (CO, HC, NOx), but a reduction in particulates of as much as 60% relative to neat biodiesel and 95% relative to petroleum diesel at the same operating conditions. This remarkable finding suggests that biofuels may be able to play a role in eliminating the need for particulate removal systems in diesel vehicles. The multicylinder engine tests at Ford, carried out using butyl nonanoate as an advanced biofuel, also gave promising results, showing a strong decline in particulate emissions and simultaneously a modest decrease in NOx emissions relative to standard petroleum diesel at the same conditions. In summary, this project has shown that advanced biofuels and their blends are capable of maintaining performance while reducing emissions, particularly particulates (soot), in 3 compression ignition engines. The interdisciplinary nature of biofuel production and testing has identified fuel properties that are capable of producing such performance, thus providing direction for the implementation of renewable fuels for U.S. transportation. The testing and simulation studies have deepened our understanding of combustion 1) by advancing the rigor with which simulations can be carried out and 2) by illustrating that differences in biofuel and petroleum fuel properties can be used to predict differences in combustion behavior in engines. The future viability of biofuels for compression ignition (diesel) engines is now subject to economic (cost) uncertainty more so than to technical barriers, as the advanced biofuel blends developed here can improve cold-weather fuel properties, provide similar engine performance, and reduce emissions.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2019

Demonstration of the Advanced Dynamic System Modeling Tool TRANSFORM in a Molten Salt Reactor Application via a Model of the Molten Salt Demonstration Reactor

Liquid-fueled nuclear reactors, particularly molten salt reactors (MSRs), have recently gained significant interest in the advanced reactor community. As with all reactors, modeling and simulation are critical to advanced reactor design and licensing and will be required for MSR deployment. However, there are significant gaps in existing simulation capabilities for MSRs, particularly with the unique challenges of liquid-fueled systems (e.g., fission product transport). Furthermore, advanced reactor designers require near-term tools that are readily modifiable to perform design and analysis, including the ability to extend their analysis beyond the primary system to auxiliary systems. Transient Simulation Framework of Reconfigurable Models (TRANSFORM), a Modelica-based, system modeling library developed at Oak Ridge National Laboratory, is an advanced tool that can help meet some of the near-term needs of the advanced reactor community. Here, this paper describes advanced system modeling criteria and presents TRANSFORM to the advanced reactor community by demonstration of system modeling capabilities and support of advanced analysis workflows, i.e., the Risk Analysis Virtual Environment (RAVEN) framework from Idaho National Laboratory, using the liquid-fueled Molten Salt Demonstration Reactor (MSDR) as a reference design.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2022

Evaluation of the Effect of Burnup Acceleration on UO 2 Microstructure Evolution

Accelerated fuel qualification (AFQ) is a methodology by which new nuclear fuels are developed in an accelerated time frame compared with historical fuel qualification approaches. AFQ generally relies on high-fidelity physics-based modeling and simulation tools to adequately describe fuel performance as well as on revolutionary methods to accelerate burnup accumulation and collect relevant data more quickly. This report summarizes the use of advanced fuel modeling and simulation tools to evaluate microstructures from commercially irradiated fuel and microstructures from proposed MiniFuel irradiations, in which burnup accumulation is accelerated while prototypic temperature conditions are maintained. In this milestone, we used the mesoscale fuel performance code MARMOT to model the evolution of irradiated UO 2 microstructures and their potential restructuring at high burnup. The simulation conditions were informed by BISON models of both commercially irradiated fuel and MiniFuel. A first set of simulations investigated the recrystallization behavior of fully dense microstructures and showed full recrystallization at burnups as low as 52 MWd/kgU at 950°C. However, these simulations did not account for the presence of fission gas bubbles (predicted by BISON). Therefore, a second set of simulations including fission gas bubbles was performed and indicated that at the lowest temperature considered (650°C), the porous UO 2 microstructures have the highest total Gibbs free energies and are likely to recrystallize earlier than higher temperature cases (800 and 950°C), which agrees with high-burnup fuel characterization data. The results also showed that at lower temperature (650°C), the total free energies of the PWR fuel and MiniFuel microstructures are not significantly different. However, at the highest temperature (950°C), MiniFuel microstructures have a lower free energy than that of the PWR fuel microstructure. The competing effects between the temperature-dependent grain nucleation rate and the reduction of the free energy of the microstructure at higher temperature as a result of diffusion indicated that restructuring may occur at even higher temperatures than those considered in this study. In addition to the microstructure evolution modeling efforts, the burnup gradient across a single fuel specimen was also considered. This evaluation was for the VXF-15 position of the High Flux Isotope Reactor (HFIR) using the code suite HFIRCON, which was developed to automate the workflow for evaluating targets and fuel as they are irradiated in HFIR. The burnup gradient evaluation showed a dependence on both the axial and radial locations within the specimen, with a maximum difference of 1.7 between the inner and outermost radial layers. This relationship was further supported by considering the fission product speciation with respect to location within the specimen, which showed a higher concentration of 239 Pu, 240 Pu, and 241 Pu on the outer radial locations of the specimen than the center. The findings of the burnup and speciation evaluation show that some amount of self-shielding is occurring in the specimen when irradiated in the high-flux environment of HFIR; however, this impact is more pronounced for natural uranium when compared to 6% enrichment due to the higher ratio of 238 U in the specimen. Further analyses are required to understand the sensitivity of this gradient to spatial mesh and enrichment of the specimen.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2023

Multiscale Modeling of Radiation Damage in UO 2 under Accelerated Burnup Conditions

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

Reliability estimation of an advanced nuclear fuel using coupled active learning, multifidelity modeling, and subset simulation

Tristructural isotropic (TRISO)-coated particle fuel is a robust nuclear fuel and determining its reliability is critical for the success of advanced nuclear technologies. However, TRISO failure probabilities are small and the associated computational models are expensive. Here we used coupled active learning, multifidelity modeling, and subset simulation to estimate the failure probabilities of TRISO fuels using several 1D and 2D models. With multifidelity modeling, we replaced expensive high-fidelity (HF) model evaluations with information fusion from two low-fidelity (LF) models. For the 1D TRISO models, we considered three multifidelity modeling strategies: only Kriging, Kriging LF prediction plus Kriging correction, and deep neural network (DNN) LF prediction plus Kriging correction. While the results across these multifidelity modeling strategies compared satisfactorily, strategies employing information fusion from two LF models called the HF model least often. Next, for the 2D TRISO model, we considered two multifidelity modeling strategies: DNN LF prediction plus Kriging correction (data-driven) and 1D TRISO LF prediction plus Kriging correction (physics-based). The physics-based strategy, as expected, consistently required the fewest calls to the HF model. However, the data-driven strategy had a lower overall simulation time since the DNN predictions are instantaneous, and the 1D TRISO model requires a non-negligible simulation time.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2016

Influences and Interactions of Inundation, Peat, and Snow on Active Layer Thickness: Modeling Archive

The Advanced Terrestrial Simulator was used to simulate thermal hydrological conditions across varied environmental conditions for an ensemble of 1D models of Arctic permafrost. The thickness of organic soil is varied from 2 to 40cm, snow depth is varied from approximately 0 to 1.2 meters, water table depth was varied from -51cm below the soil surface to 31 cm above the soil surface. A total of 15,960 ensemble members are included. Data produced includes the third and fourth simulation year: active layer thickness, time of deepest thaw depth, temperature of the unfrozen soil, and unfrozen liquid saturation, for each ensemble member. Input files used to run the ensemble are also included. File formats in the data package: .py, .h5, .xml, .exo, .txt, and .pdf.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research.The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska.Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Advancing Thermal-Hydraulic Modeling Capabilities for Molten Salt Reactors in Pronghorn

This is an M2 report for the NEAMS program. This work focuses on advancing the modeling and simulation capabilities for Molten Salt Reactors (MSRs) within Pronghorn, addressing key thermal-hydraulic challenges that must be addressed for the safe and efficient operation of these advanced reactors. This report summarizes the development and validation of the following new models in Pronghorn: (i) two-equation RANS turbulence models, (ii) near-wall turbulence corrections due to curvature and roughness, and (iii) multidimensional two-phase drift-flux models. For each of these cases, along with the experimental validation, an application study of interest to MSRs is presented. In addition, this report also presents recent improvements in the domain-overlapping coupling between Pronghorn and SAM to address the cases of weakly compressible flow and flow reversal. Finally, an MSR action that greatly simplifies the setup of MSR models using NEAMS tools is described.

42 ENGINEERING↗

DOE OSTI2015

IAEA Coordinated Research Project on HTGR Reactor Physics, Thermal-hydraulics and Depletion Uncertainty Analysis

The continued development of High Temperature Gas Cooled Reactors (HTGRs) requires verification of HTGR design and safety features with reliable high fidelity physics models and robust, efficient, and accurate codes. The predictive capability of coupled neutronics/thermal-hydraulics and depletion simulations for reactor design and safety analysis can be assessed with sensitivity analysis (SA) and uncertainty analysis (UA) methods. Uncertainty originates from errors in physical data, manufacturing uncertainties, modelling and computational algorithms. (The interested reader is referred to the large body of published SA and UA literature for a more complete overview of the various types of uncertainties, methodologies and results obtained). SA is helpful for ranking the various sources of uncertainty and error in the results of core analyses. SA and UA are required to address cost, safety, and licensing needs and should be applied to all aspects of reactor multi-physics simulation. SA and UA can guide experimental, modelling, and algorithm research and development. Current SA and UA rely either on derivative-based methods such as stochastic sampling methods or on generalized perturbation theory to obtain sensitivity coefficients. Neither approach addresses all needs. In order to benefit from recent advances in modelling and simulation and the availability of new covariance data (nuclear data uncertainties) extensive sensitivity and uncertainty studies are needed for quantification of the impact of different sources of uncertainties on the design and safety parameters of HTGRs. Only a parallel effort in advanced simulation and in nuclear data improvement will be able to provide designers with more robust and well validated calculation tools to meet design target accuracies. In February 2009, the Technical Working Group on Gas-Cooled Reactors (TWG-GCR) of the International Atomic Energy Agency (IAEA) recommended that the proposed Coordinated Research Program (CRP) on the HTGR Uncertainty Analysis in Modelling (UAM) be implemented. This CRP is a continuation of the previous IAEA and Organization for Economic Co-operation and Development (OECD)/Nuclear Energy Agency (NEA) international activities on Verification and Validation (V&V) of available analytical capabilities for HTGR simulation for design and safety evaluations. Within the framework of these activities different numerical and experimental benchmark problems were performed and insight was gained about specific physics phenomena and the adequacy of analysis methods.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2019

ENDF/B-VIII.0 Covariance Data Development and Testing for Advanced Reactors

This report documents the ENDF/B-VIII.0 covariance data development and testing performed at Oak Ridge National Laboratory performed under the auspices of the US Department of Energy Office of Nuclear Energy. This work supports modeling and simulation of advanced reactor designs in the US by analyzing, validating and improving the nuclear data that provide underlying physics for calculations. This report assesses nuclear data uncertainty information for neutron cross sections, provided in the form of covariance matrices, in the 2018 ENDF/B-VIII.0 library. A review and interpretation of some of the issues with the current covariance library is provided. A new approach to augment the ENDF/B-VIII.0 covariance matrix to accurately reflect uncertainties in the results of modeling and simulation reliant on the current nuclear data library is documented. Rigorous testing of the ENDF/B-VIII.0 covariance data is documented. Finally, the performance of the ENDF/B-VIII.0 covariance data for advanced reactor applications is assessed.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2023

New technologies as decision aids for the advancement of ecological risk assessment

Moore's law states that the number of transistors that can be placed on an integrated circuit doubles every two years (Moore, 1975). This has led to a steady increase in the processing power of computers over time, and technology is now enhancing and advancing software and scientific applications, which has enabled computationally intensive methods such as machine learning, data science, modeling, and simulation. The advancement of computers and data-driven algorithms is profoundly impacting people's lives. It is changing the way we work, the way we learn, and the way we interact with the world around us. Here, this editorial will discuss how scientists can benefit from the latest technology advancements and related tools by incorporating them into the ecological risk assessment (ERA) to study ecosystems as a way to create refined assessments and accelerate the turnaround times.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2017

An assessment of CFD-based wall heat transfer models in piston engines

The lack of accurate submodels for in-cylinder heat transfer has been identified as a key shortcoming in developing truly predictive, physics-based computational fluid dynamics (CFD) models that can be used to develop combustion systems for advanced high-efficiency, low-emissions engines. Only recently have experimental methods become available that enable accurate near-wall measurements to enhance simulation capability via advancing models. Initial results show crank-angle dependent discrepancies with respect to previously used boundary-layer models of up to 100%. However, available experimental data is quite sparse (only few data points on engine walls) and limited (available measurements are those of heat flux only). Predictive submodels are needed for medium-resolution ("engineering") LES and for unsteady Reynolds-averaged simulations (URANS). Recently, some research groups have performed DNS studies on engine-relevant conditions using simple geometries. These provide very useful data for benchmarking wall heat transfer models under such conditions. Further, a number of new and more sophisticated models have also become available in the literature which account for these engine-like conditions. Some of these have been incorporated while others of a more complex nature, which include solving additional partial differential equations (PDEs) within the thin boundary layer near the wall, are underway. These models will then be tested against the available DNS/experimental data in both SI (spark-ignition) and CI (compression-ignition) engines.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2025

Global Gyrokinetic Simulations of Isotope Effects under Ambipolar Electric Fields and Advances Toward Whole-Volume Modeling

We review global gyrokinetic simulation studies on plasma transport in the Large Helical Device using XGC-S. XGC-S is an extended version of X-point Gyrokinetic Code for stellarators and has been progressively verified throughout the code development process. Verification tests of neoclassical transport successfully demonstrate the generation of an ambipolar electric field due to ripple-trapped particles. We perform quasi-linear analyses of the ion temperature gradient mode under the influence of the ambipolar electric field. The results reveal that the ambipolar electric field and the heavy hydrogen component in mixed isotope plasmas can lead to the favorable isotope effect observed in recent deuterium experiments. We also present recent efforts in code development toward whole-volume simulations, including the helical divertor region. A mesh generation scheme based on field-line tracing and the construction of curved surfaces perpendicular to the magnetic field would be promising for global field calculations in the whole-volume simulations.

Basic Plasma Phenomena and Gas Discharges↗

DOE OSTI2017

Implications of advanced collision operators for gyrokinetic simulation

In this paper, we explore both the potential improvements and pitfalls that arise when using advanced collision models in gyrokinetic simulations of plasma microinstabilities. Comparisons are made between the simple-but-standard electron Lorentz operator and specific variations of the advanced Sugama operator. The Sugama operator describes multi-species collisions including energy diffusion, momentum and energy conservation terms, and is valid for arbitrary wavelength. We report scans over collision frequency for both low and high ${k}_{\theta }{\rho }_{s}$ modes, with relevance for multiscale simulations that couple ion and electron scale physics. The influence of the ion–ion collision terms—not retained in the electron Lorentz model—on the damping of zonal flows is also explored. Collision frequency scans for linear and nonlinear simulations of ion-temperature-gradient instabilities including impurity ions are presented. Finally, implications for modeling turbulence in the highly collisional edge are discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Advancing Fissile Materials Production Modeling with Adaptive Computing Environment and Simulations (ACES)

The Department of Energy’s National Nuclear Security Administration (DOE/NNSA) provides advanced capabilities to simulate the uranium enrichment process to support international negotiations on the peaceful use of nuclear energy. Uranium isotope separation centrifuges connected in a cascade configuration can produce the low-enriched uranium needed for nuclear power. However, those same centrifuges connected in a different configuration can also produce highly enriched uranium for nuclear weapons. Having the capability to assess cascade operations and identify nefarious activities promotes the peaceful uses of nuclear energy while restricting nuclear weapons proliferation. DNN R&D's Nonproliferation Stewardship Program Adaptive Computing Environment and Simulations (ACES) project is creating a modern, sustainable ecosystem of physics-based models and data-analytics tools that enables analysts to model uranium enrichment systems, simulate operational scenarios, and apply various policy options to explore potential outcomes.

07 ISOTOPE AND RADIATION SOURCES↗

DOE OSTI2025

Godiva IV Thermal Neutron Dosimetry Modeling and Variance Reduction

The transfer of the Godiva IV experiment from the Los Alamos Critical Experiments Facility (LACEF) to the National Critical Experiments Research Center (NCERC) introduced a vastly different experiment room return to the neutron flux. The contribution of the background to the burst neutron energy spectrum is significant in the thermal and epithermal neutron energies. Target materials may be placed in various locations in the Godiva room, or outside of the room, for thermal neutron activation. Modeling of this dosimetry problem in Monte Carlo N-Particle (MCNP) presented a novel challenge compared to previous Godiva IV glory hole irradiation simulations. An advanced dosimetry modeling framework for high efficiency calculations in locations far from the Godiva IV fission source was desired. The mesh-based weight windows and point detector advanced variance reduction techniques in MCNP were implemented and tested using adaptations of the critical experiment benchmark model of the Godiva IV problem. The models were validated against measured activations of Nickel, Indium, Scandium, and Cobalt foils at locations 2 meters from the Godiva IV core. Dosimetry measurements were performed in collaboration with Sandia National Laboratory. The weight windows and point detector variance reduction coupled method resulted in the highest problem efficiency.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

The effects of spatial and temporal resolution of gridded meteorological forcing on watershed hydrological responses

Abstract. Meteorological forcing plays a critical role in accurately simulating the watershed hydrological cycle. With the advancement of high-performance computing and the development of integrated watershed models, simulating the watershed hydrological cycle at high temporal (hourly to daily) and spatial resolution (tens of meters) has become efficient and computationally affordable. These hyperresolution watershed models require high resolution of meteorological forcing as model input to ensure the fidelity and accuracy of simulated responses. In this study, we utilized the Advanced Terrestrial Simulator (ATS), an integrated watershed model, to simulate surface and subsurface flow and land surface processes using unstructured meshes at the Coal Creek Watershed near Crested Butte (Colorado). We compared simulated watershed hydrologic responses including streamflow and distributed variables such as evapotranspiration, snow water equivalent (SWE), and groundwater table driven by three publicly available, gridded meteorological forcings (GMFs) – Daily Surface Weather and Climatological Summaries (Daymet), the Parameter-elevation Regressions on Independent Slopes Model (PRISM), and the North American Land Data Assimilation System (NLDAS). By comparing various spatial resolutions (ranging from 400 m to 4 km) of PRISM, the simulated streamflow only becomes marginally worse when spatial resolution of meteorological forcing is coarsened to 4 km (or 30 % of the watershed area). However, the 4 km-resolution has much worse performance than finer resolution in spatially distributed variables such as SWE. Using the temporally disaggregated PRISM, we compared models forced by different temporal resolutions (hourly to daily), and sub-daily resolution preserves the dynamic watershed responses (e.g., diurnal fluctuation of streamflow) that are absent in results forced by daily resolution. Conversely, the simulated streamflow shows better performance using daily resolution compared to that using sub-daily resolution. Our findings suggest that the choice of GMF and its spatiotemporal resolution depends on the quantity of interest and its spatial and temporal scale, which may have important implications for model calibration and watershed management decisions.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Solid-to-Fluid Radiative Heat Transfer Modeling for System Analysis Module

System Analysis Module (SAM) is a system-level thermal hydraulics code being developed at Argonne National Laboratory for advanced nuclear reactor analysis. In addition to a wide range of interests from the advanced reactor design community, SAM has also been adopted by the United States Nuclear Regulatory Commission's suite of codes purposed for advanced reactor licensing. Nevertheless, the code is still under active development and new capabilities are being added to address various modeling and simulation challenges for advanced reactor analysis. One such phenomenon important to the thermal behavior of some advanced reactor concepts is radiative heat transfer (radHT). Conditions, such as high temperatures and long optical paths, increase the radiative contributions from solids and coolants alike. This paper discusses the development of radHT modeling in SAM and describes the new capabilities provided for thermal analysis. Depending on the geometry and temperatures of the system at hand, as well as the coolant in question, thermal transfer due to thermal radiation will vary dramatically. Therefore, the ability to model variable radiative systems was maintained as a priority during development of SAM radHT modeling. This newly developed simulation feature provides a flexible solid-to-fluid radiative heat transfer framework necessary for SAM to perform accurate analysis for advanced reactor designs. Test cases are also presented and shown to match analytical solutions, which demonstrate the radHT model's efficacy.

Radiative heat transfer↗

DOE OSTI2016

Initial Comparison of Direct and Legacy Modeling Approaches for Radial Core Expansion Analysis

Radial core expansion in sodium-cooled fast reactors provides an important reactivity feedback effect. As the reactor power increases due to normal start up conditions or accident scenarios, the core and surrounding materials heat up, causing both grid plate expansion and bowing of the assembly ducts. When the core restraint system is designed correctly, the resulting structural deformations introduce negative reactivity which decreases the reactor power. Historically, an indirect procedure has been used to estimate the reactivity feedback due to structural deformation which relies upon perturbation theory and coupling legacy physics codes with limited geometry capabilities. With advancements in modeling and simulation, radial core expansion phenomena can now be modeled directly, providing an assessment of the accuracy of the reactivity feedback coefficients generated by indirect legacy methods. Recently a new capability was added to the PROTEUS-SN unstructured geometry neutron transport solver to analyze deformed meshes quickly and directly. By supplying the deformed mesh in addition to the base configuration input files, PROTEUS-SN automatically processes material adjustments including calculation of region densities to conserve mass, calculation of isotopic densities according to material models (for example, sodium density as a function of temperature), and subsequent re-homogenization of materials. To verify the new capability of directly simulating deformed meshes, PROTEUS-SN was used to compute reactivity feedback for a series of contrived yet representative deformed configurations for the Advanced Burner Test Reactor design. The indirect legacy procedure was also performed to generate reactivity feedback coefficients for the same deformed configurations. Interestingly, the legacy procedure consistently overestimated reactivity feedbacks by 35% compared to direct simulations by PROTEUS-SN. This overestimation indicates that the legacy procedures are in fact not conservative and could be overestimating reactivity feedback effects that are closely tied to reactor safety. We conclude that there is indeed value in performing direct simulation of deformed meshes despite the increased computational expense. PROTEUS-SN is already part of the SHARP multi-physics toolkit where both thermal hydraulics and structural mechanical feedback modeling can be applied but this is the first comparison of direct simulation to legacy techniques for radial core expansion.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗