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At least 1,459 records · Page 81

Steady-State Pool Boiling in Sea Water

Boiling heat transfer has attracted broad attention because of its high efficiency of heat removal and many possible applications, such as nuclear safety issues. From the lessons learned from the Fukushima Daiichi accident in Japan in 2011, Taiwan Power Company proposed an 'Ultimate Response Guideline' to ensure that there is sufficient water which can be injected into the core and prevent the core from being uncovered. However, if the core uncovered accident really happens, one still needs to continuously inject water into the core to keep the situation from getting worse. This is so called the 'quenching process'. Usually, a nuclear power plant is located near the bank of river or coast, so it is easy to get river or sea water as water resources during an emergency condition. Sea and deionized water (DI water) show significantly different performance during the quenching process. Hsu et al. conducted quenching experiments using different metal spheres (stainless steel 304 and zircaloy 702) initially at 1000 deg. C in deionized water and sea water to compare their difference. Their results indicated that sea water demonstrates a more rapid quenching process due to the suppression of film boiling, the zeta-potential between the hot surface and sea water and other effects prevent the formation of the vapor blanket. Lee et al. also studied quenching process by a reflooding method. They reported the rapid quenching time in sea water is due to higher boiling point and easily top quenching by sea salt solution. Despite the fact that better quenching performance has been observed in sea water, more fundamental experiments must be carried out to investigate basic boiling phenomena in sea water. For the past few years, many researchers studied steady boiling behavior based on pool boiling experiments. The parameters that may affect heat transfer coefficient include nucleation site density, wettability, surface tension, etc. Jamialahmadi et al. selected sodium sulfate (high solubility in water) and calcium sulfate (low solubility in water) solution as testing liquids with rod heaters used. They discovered sparingly soluble salts with inversed solubility may deposit on the heating surface and block heat transfer to bulk liquid. However, the addition of highly soluble salts may reduce heat transfer coefficient at modest heat flux but increase slightly at high heat flux. A few years later, Jamialahmadi et al. suggested the decrease in heat transfer coefficient of electrolyte solution has to do with the mass transfer in the liquid phase and developed a model with high accuracy. For nuclear safety, the use of sea water as an alternative emergency coolant, more basic physical phenomena of boiling in sea water must be investigated. The present work conducts pool boiling of sea water by using a platinum wire and compares with that in deionized water.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Numerical analysis of experimental studies of methane hydrate formation in a sandy porous medium

Here we analyse numerically an earlier experimental study that involved the formation of methane hydrates by the excess water method in a small reactor filled with a sandy porous medium, and seek to address questions about the type of the hydration reaction and the phase heterogeneity in the resulting hydrate-bearing sand. Using a fine discretization describing the reactor assembly, the experimental process is faithfully replicated numerically. The multi-stage process of hydrate formation is subdivided in 7 steps. The experimental data from the continuously-monitored pressure and temperature during each step are used for comparison against the numerical predictions, the identification of the dominant processes and the determination of the associated parameters through a history-matching process that minimizes deviations between observations and simulation results. The results of this first-ever study on this subject demonstrate unequivocally that the hydration reaction is a kinetic (as opposed to an equilibrium) process, and that the spatial distributions of the various phases (aqueous, gas and hydrate) at the end of the formation process are strongly heterogeneous. This has serious implications in simulation studies of hydrate dissociation that assume uniform initial phase saturation distributions. Finally, the history-matching process indicates that (a) the system behaviour is sensitive to some flow parameters (porosity and irreducible water saturation) only during the first water injection, (b) it is insensitive to the sand intrinsic permeability during all steps of the study, and (c) thermal processes dominate after the first water injection, yielding estimates of the thermal properties of the sand and of time-variable key parameters of the kinetic reaction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Accelerated Monte Carlo Fission Source Convergence with Fission Matrix and Kernel Density Estimators

Accurate solution of the k-eigenvalue form of the Boltzmann radiation transport equation is required in many application areas, including nuclear reactor analysis and criticality safety. Monte Carlo calculations are free of the discretization errors inherent to deterministic methods and therefore offer the most accurate solutions. However, converging the fission source can be difficult for many problems, resulting in either a substantial computational overhead or potential inaccuracies that negate many of the benefits of using Monte Carlo methods. Difficulty in converging the fission source occurs for two distinct reasons. The first is the existence of a high dominance ratio in the problem (i.e. the largest and second largest eigenvalues have approximately the same magnitude). The second difficulty arises due to undersampling of the fission source because an insufficient number of particle histories are simulated. The first difficulty is shared by deterministic solvers when using power iteration, while the second difficulty is unique to Monte Carlo solvers. In practice, both difficulties may be present in the same problem, compounding the difficulty in achieving a converged distribution. In this paper, we consider a new approach to accelerate the convergence of the fission source based on combining the use of fission matrix methods with kernel density estimators (KDEs). It has been observed that deterministic fission matrix methods show the potential to accelerate the convergence of the fission source in Monte Carlo criticality calculations but may introduce significant additional noise for difficult problems. In this paper, we have demonstrated the use of a KDE approach in combination with the fission matrix acceleration. Although the addition of the KDE initially slows the convergence of the fission matrix acceleration, it decreases the magnitude of the noise while still offering significantly improved convergence relative to analog Monte Carlo. (authors)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

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↗

Computational and experimental analysis of structural and Thermophysical properties of LiX-KX (X = chloride, iodide, or bromide) molten salts

Molten salts containing lithium (Li) and potassium (K) halides, including chlorides (Cl), bromides (Br), and iodides (I), are pivotal in advanced technological applications including nuclear reactor technologies, thermal batteries, and industrial pyrochemical processes. Despite their significance, the availability of the temperature-dependent structural and thermophysical properties of these molten salts remain scarce. Here, this study addresses this knowledge gap by predicting and measuring the key properties such as coordination number, radial distribution function, density, heat capacity, and volumetric thermal expansion of molten LiI-KI, LiBr-KBr and LiCl-KCl eutectic mixtures. Utilizing ab initio molecular dynamics (AIMD) simulations, we predict these properties of LiX-KX (X=Br,I, Cl) across various temperatures, with chlorides as a benchmark. Experimental measurements using Archimedes methods and Differential Scanning Calorimetry validate the densities and heat capacities of these molten salts. Our comprehensive analysis of the structural and thermophysical properties provides critical insights into the behavior of these molten salts at various temperatures, enhancing the understanding necessary for their application in advanced technologies.

36 - MATERIALS SCIENCE↗

Analysis of hydrogen plasma in a microwave plasma chemical vapor deposition reactor

The aim of this work is to build a numerical model of hydrogen plasma inside a microwave plasma chemical vapor deposition system. This model will help in understanding and optimizing the conditions for the growth of carbon nanostructures. A 2D axisymmetric model of the system is implemented using the finite element high frequency Maxwell solver and the heat transfer solver in COMSOL Multiphysics. The system is modeled to study variation in parameters with reactor geometry, microwave power, and gas pressure. The results are compared with experimental measurements from the Q-branch of the H{sub 2} Fulcher band of hydrogen using an optical emission spectroscopy technique. The parameter γ in Füner's model is calibrated to match experimental observations at a power of 500 W and 30 Torr. Good agreement is found between the modeling and experimental results for a wide range of powers and pressures. The gas temperature exhibits a weak dependence on power and a strong dependence on gas pressure. The inclusion of a vertical dielectric pillar that concentrates the plasma increases the maximum electron temperature by 70%, the maximum gas temperature by 50%, and the maximum electron number density by 70% when compared to conditions without the pillar at 500 W and 30 Torr. Experimental observations also indicate intensified plasma with the inclusion of a pillar.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Absolute Band Intensity of the Iodine Monochloride Fundamental Mode for Infrared Sensing and Quantitative Analysis

Iodine monochloride (ICl) is a gaseous off-product of molten salt reactors; monitoring this heteronuclear diatomic is of great interest for both environmental and safety purposes. In this paper we investigate the possibility of infrared monitoring of ICl by measuring the far-infrared absorption cross section of its fundamental band near 381 cm -1 . We have performed quantitative studies of the neat gas in a 20 cm cell at 25, 35, 50 and 70 oC at multiple pressures up to ~ 9 Torr and investigated the temperature and pressure dependence of the band’s infrared cross section. Quantitative measurements were problematic due to sample adhesion to the cell walls and windows as well as reactions/possible hydrolysis of ICl to form HCl gas. Effects were mitigated by measuring only the neat gas, using short measurement times and subtracting out the partial pressure of the HCl(g). The integrated band strength is shown to be temperature independent and was found to be equal to 9.1 x 10 -19 (cm 2 /molecule) cm-1. As expected, the temperature dependence of the band profile showed only a small effect over this limited temperature range. Furthermore, we have also investigated using the absorption data along with inverse least squares multivariate methods for the quantitative monitoring of ICl effluent concentrations under different scenarios using infrared (standoff) sensing and compare these results with traditional Beer’s Law (univariate) techniques.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Exploring the speciation of actinide salts in the presence of contaminants related to molten salt reactors

Molten salt reactors (MSR) are up-and-coming Generation IV nuclear reactors with either coolant and/or radioactive fuel in molten salt form. Due to their improved safety, efficiency, affordability and convenient waste processing system, these reactors are considered a superior alternative to conventional ones. However, prior to commercial implementation, it is necessary to have an extensive understanding of the reactions occurring in the MSR. The safety parameters of the MSR are determined by the rheological properties such as density and viscosity of the molten salt and these properties are governed by the local structure of the molten salts. Due to the high operational temperatures of MSR's, corrosion plays an important role. Because of their influence, the container corrosion products become part of the fuel salt matrix. In this work, we are investigating how these corrosion products, e.g., Mo, Ni, Cr, would impact the speciation of the actinide metal centers. For the initial studies, lanthanides are used as a surrogate for actinides. Lanthanide chloride salts (LnCl3) are mixed with transition metals and excess of alkali or alkali earth metal salts or salt mixtures (LiCl, NaCl, KCl). These are added to an alumina crucible, placed in a quartz tube, and sealed under a vacuum. This is heated up to around 1000 °C and slowly cooled to a temperature above the melting point of the salt and at that temperature, the reaction is taken out of the furnace. The excess salt is removed, and the resulting product is analyzed using X-ray diffraction techniques, scanning electron microscopy, and spectroscopic methods such as Raman, UV-Visible, and FTIR spectroscopy.

37 - INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL C↗

CZT DTRA final report

The objective of the project is to understand the physical origin of electronic noise injected by the electrical contacts in CZT and CdTe, and moreover to understand how it impacts the current- voltage (IV) relationships of these materials. This understanding is critical to enabling the next crucial enhancement in the performance of CZT radiation detectors, as there have recently been impressive advancements in the growth of CZT crystals, particularly at our commercial partner Redlen Technologies. Redlen scientists have successfully reduced the size of the transport-inhibiting tellurium precipitates to be <3 micrometers, such that, with sufficiently high fields, it is possible to achieve resolution of <1% at 662 keV using suitable electrode geometries. In contrast to the excellent progress in crystal growth, practitioners in the field of radiation detection have been fabricating rather routine contacts on CZT for nearly two decades; there is no basic understanding of the semiconductor physics of the contacts, and consequently no breakthrough progress in this area. Our objective is to resolve this inadequacy in CZT diode fabrication on the basis of a science-based study, such that CZT detectors can achieve their full promise in performance as superior contacts will enable use of higher fields with lower leakage current – thereby enhancing the resolution that is possible while eliminating the well-known “tailing” effect suffered by the photopeak. Our approach is to develop methods that reduce or eliminate leakage currents in CZT devices through “engineering” the surfaces with novel treatments and structures. This includes using high density plasma etching, doping via ion implantation and metal diffusion, rapid thermal annealing, amorphous semiconductor and dielectric films, and controlled oxide growth. Using these methods, sources of injected and generated noise at the surface can be eliminated via plasma etching and film deposition or oxide growth, while advanced junctions (both homo- and heterojunctions) can be created to eliminate current injection from the metal contacts. The work involves the fabrication and characterization of CZT having a variety of contact structures. Tools capable of evaporating and sputtering metals, together with the usual lithographic and chemical processing methods, are employed. The CZT material employed will be of the highest quality available (Redlen Technologies), and we are engaging Prof. Burger of Fisk University, who is internationally recognized as one of the most accomplished materials physicists in the field on radiation detectors. We have also begun collaborating with Prof. Nicholas Kioussis of Cal State Northridge, Srivananthan Labs (Bolingbrook, IL), and Mark Amman of Lawrence Berkeley National Laboratory, all funded separately by DTRA.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Time-Gated Raman Spectroscopy (Intern Final Report)

Time-gated Raman spectroscopy is a powerful tool for rapid non-destructive analysis of chemical compounds, particularly when combined with other investigative methods. Time-gating the signal obtained from a sample during Raman spectroscopy allows for the removal of background emission and black body radiation, improving clarity and accuracy of scans. The main objectives of this project were to prove the lab’s time-gated Raman spectroscopy system works as proof of concept and to make select improvements to the in-house LabVIEW software used to run the time-gated system. This time-gated system will be added to the CTK’s TAP reactors in the future, but this is out of the scope of this internship project. This research is important, as understanding the mechanisms behind catalysts leads to designing better systems/materials and the perfection of catalysts, and energy-efficient chemical manufacturing is key when designing a greener future. The research for this project was done with samples at both ambient conditions in sample holders and at operando conditions (i.e., high temperature, unsteady-state) inside a small-volume chemical reactor. Numerous spectro-kinetic scans of the catalysts were obtained, but the advanced dynamics of these systems are still being interpreted. There is data that demonstrates that the time-gated system is correctly rejecting emission from samples, and one can observe real-time changes in the signal from the sample, due to coking or changes induced by redox chemistry. Chemical manufacturers and the planet are the main beneficiaries of catalysis research, as better catalysts will reduce carbon emissions.

36 MATERIALS SCIENCE↗

Temperature and anion ligand field dependence of LnCl 3 (Ln = Nd, Dy, Sm) electronic absorption spectra in LiCl–KCl eutectic molten salt

A comprehensive knowledge of the coordination, bonding, and speciation of elements in molten salt mixtures is necessary to understand and predict the chemical and physical properties of the salt. Absorption spectroscopy can yield information about the chemistry of species of interest in alkali halide molten salt mixtures by revealing information about the electronic structure and transitions of those species. In this study, ultraviolet (UV), visible (vis), and near-infrared (NIR) absorption spectroscopy was used to examine changes to the electronic structure of trivalent Nd, Sm, and Dy in LiCl–KCl eutectic molten salt with changes in temperature and the anion composition of the melt. With increasing temperature, changes to spectral features suggest a distortion of the coordination complexes. Changes to lineshape with the substitution of alternative halide anions were examined and analyzed, revealing differences in the coordination for I – versus F – with the lanthanides. Gaussian peak fitting was used to show that the changes in lineshape with the progressive addition of F – anions can be explained by the superposition of a set of absorption bands from complexes with all Cl – anion ligands and a set of blueshifted absorption bands from complexes containing both F – and Cl – anion ligands. Finally, this work yields a new method to analyze and interpret change to electronic absorption spectra for f-block elements dissolved in alkali halide molten salts as well as new observations of the interactions of larger and smaller halide anions with lanthanides in Cl – -based molten salts.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Annular Flow Simulation Supported by Iterative In-Memory Mesh Adaptation

Various flow regimes exist in a boiling water reactor (BWR) as the steam quality increases in the uprising coolant flow, from bubbly flow, slug/churn flow, to annular flow. The annular flow is characterized by the presence of a fast-moving gas core and the surrounding liquid film flowing on the conduit wall. Additionally, entrained droplets can be observed in the gas core with ingested bubbles in the liquid film. The dynamics occurring on the wavy interface between the liquid film and gas core plays a crucial role in affecting the heat transfer rate and pressure drop within the BWR core. However, a fundamental understanding of annular flow is still lacking, partly due to the difficulty in obtaining detailed local data in annular flow experiments. In the current study, a novel simulation framework is developed for the annular flow by coupling a computational fluid dynamics flow solver with state-of-the-art meshing software. The gas-liquid interface is tracked with the level set method. Based on the computed flow solutions, the computational mesh is dynamically adapted in memory to meet the local mesh resolution requirement. This iterative simulation-adaptation framework can ensure the fine mesh resolution across the interface, which not only helps mitigate the mass conservation degradation known to level set methods but also improves the representation of dramatic interface topological changes such as wave breaking and droplet entrainment. The present investigation will shed light onto the complex interfacial processes involved in annular flow and generate much needed simulation data for annular flow modeling.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

A comprehensive experimental and kinetic modeling study of di-isobutylene isomers: Part 2

A wide variety of high temperature experimental data obtained in this study complement the data on the oxidation of the two di-isobutylene isomers presented in Part I and offers a basis for an extensive validation of the kinetic model developed in this study. Due to the increasing importance of unimolecular decomposition reactions in high-temperature combustion, we have investigated the di-isobutylene isomers in high dilution utilizing a pyrolysis microflow reactor and detected radical intermediates and stable products using vacuum ultraviolet (VUV) synchrotron radiation and photoelectron photoion coincidence (PEPICO) spectroscopy. Additional speciation data at oxidative conditions were also recorded utilizing a plug flow reactor at atmospheric pressure in the temperature range 725-1150 K at equivalence ratios of 1.0 and 3.0 and at residence times of 0.35 s and 0.22 s, respectively. Combustion products were analyzed using gas chromatography (GC) and mass spectrometry (MS). Ignition delay time measurements for di-isobutylene were performed at pressures of 15 and 30 bar at equivalence ratios of 0.5, 1.0, and 2.0 diluted in 'air' in the temperature range 900-1400 K using a high-pressure shock-tube facility. New measurements of the laminar burning velocities of di-isobutylene/air flames are also presented. The experiments were performed using the heat flux method at atmospheric pressure and initial temperatures of 298-358 K. Moreover, data consistency was assessed with the help of analysis of the temperature and pressure dependencies of laminar burning velocity measurements, which was interpreted using an empirical power-law expression. Electronic structure calculations were performed to compute the energy barriers to the formation of many of the product species formed. The predictions of the present mechanism were found to be in adequate agreement with the wide variety of experimental measurements performed.

09 BIOMASS FUELS↗

A stilbene - CdZnTe based radioxenon detection system

Atmospheric monitoring of radioxenon is one of the most widely used methods by the Comprehensive Nuclear-Test-Ban Treaty Organization (CTBTO) to detect elevated levels of 131m Xe, 133/133m Xe, and 135 Xe. The ratios of these radionuclides help discriminate between peaceful use of nuclear technology and nuclear weapon explosions. Radioxenon detection systems often use plastic scintillators in the capacity of an electron detector and a gas cell, plastic gas cells are responsible for introducing high memory effect in these systems. This work presents the design of a new detection system for radioxenon monitoring that utilizes silicon photomultipliers, a stilbene gas cell, and a CdZnTe detector. This detector was evaluated using xenon radioisotope samples produced in the TRIGA reactor at Oregon State University. Here, a 48-h background was collected and calculations of the Minimum Detectable Concentration (MDC) were carried out using the Region of Interest (ROI) approach. An MDC of less than 1 mBq/m 3 was obtained for 131m Xe, 133 Xe, and 133m Xe in accordance with the sensitivity limits set by the CTBTO and performs respectably when compared to state-of-the-art radioxenon detection systems. Using 131m Xe, this study indicates that the stilbene gas cell exhibits a memory effect of 0.045 ±0.017%, this is almost a two-order magnitude improvement compared to plastic scintillators. The main purpose of this work is to explore the use of new stilbene detection media for radioxenon application and addressing the problem of memory effect.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Analysis of operator splitting errors for near-limit flame simulations

High-fidelity simulations of ignition, extinction and oscillatory combustion processes are of practical interest in a broad range of combustion applications. Splitting schemes, widely employed in reactive flow simulations, could fail for stiff reaction–diffusion systems exhibiting near-limit flame phenomena. The present work first employs a model perfectly stirred reactor (PSR) problem with an Arrhenius reaction term and a linear mixing term to study the effects of splitting errors on the near-limit combustion phenomena. Analysis shows that the errors induced by decoupling of the fractional steps may result in unphysical extinction or ignition. The analysis is then extended to the prediction of ignition, extinction and oscillatory combustion in unsteady PSRs of various fuel/air mixtures with a 9-species detailed mechanism for hydrogen oxidation and an 88-species skeletal mechanism for n-heptane oxidation, together with a Jacobian-based analysis for the time scales. The tested schemes include the Strang splitting, the balanced splitting, and a newly developed semi-implicit midpoint method. Results show that the semi-implicit midpoint method can accurately reproduce the dynamics of the near-limit flame phenomena and it is second-order accurate over a wide range of time step size. For the extinction and ignition processes, both the balanced splitting and midpoint method can yield accurate predictions, whereas the Strang splitting can lead to significant shifts on the ignition/extinction processes or even unphysical results. With an enriched H radical source in the inflow stream, a delay of the ignition process and the deviation on the equilibrium temperature are observed for the Strang splitting. On the contrary, the midpoint method that solves reaction and diffusion together matches the fully implicit accurate solution. The balanced splitting predicts the temperature rise correctly but with an over-predicted peak. For the sustainable and decaying oscillatory combustion from cool flames, both the Strang splitting and the midpoint method can successfully capture the dynamic behavior, whereas the balanced splitting scheme results in significant errors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Modeling of the Advanced Test Reactor Using OpenMC, Cubit and Griffin

In the pursuit of the ability to perform multiphysics simulations of the Advanced Test Reactor, it is crucial to have a fast and highly accurate deterministic model. To achieve this, a contemporary two-step method is employed. The first step involves generating homogenized cross sections using OpenMC, a cutting-edge Monte Carlo neutron transport code. OpenMC offers excellent modular capabilities, allowing for easy component integration and flexibility in incorporating new designs into the model. The second step involves deterministic transport calculations, which are performed using Griffin, a reactor multiphysics application based on the Multiphysics Object-Oriented Simulation Environment. To ensure the accurate spatial resolution and assignment of material cross sections, a Cubit-generated mesh for the Advanced Test Reactor is utilized as an intermediate step between the OpenMC and Griffin models; Griffin utilizes the mesh for its finite element solution, while OpenMC material IDs are written to the mesh file to be used in Griffin material assignments. Additionally, a Python-based script converts the cross sections generated by OpenMC into the ISOXML format required by Griffin. Preliminary comparisons indicate good agreement between the neutron multiplication factors obtained from the standalone OpenMC model and the Griffin model, with differences of less than 50 pcm in the two-dimensional geometry configuration. However, in three-dimensional calculations, an unacceptably large error is found in the Griffin solution. Future work is planned to resolve this discrepancy.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Light-trapping structures fabricated in situ for ultrathin III-V solar cells

Here, we describe a fully in situ method of fabricating light-scattering structures on III-V materials that generates a rough morphology via vapor phase etching and redeposition. Fully in situ methods support higher industrial throughput by utilizing the growth reactor to generate the light-trapping structures after device growth without removal from the reactor. We use HCl and PH 3 to etch and redeposit scattering morphologies on Ga 0.5 In 0.5 P in a dynamic hydride vapor phase epitaxy (D-HVPE) reactor. We show that the addition of PH 3 leads to redeposition during the vapor phase HCl etching of Ga 0.5 In 0.5 P and that HCl flow rate and time exposed to HCl-PH 3 each independently cause a linear increase in the redeposited feature size, indicating that redeposition proceeds by island growth in a III-Cl-limited, hydride-enhanced HVPE regime. Auger electron spectroscopy and scanning transmission electron microscopy with energy dispersive spectroscopy (STEM-EDS) reveal redeposition to be highly Ga-rich GaInP, i.e., Ga(In)P. The Ga-rich nature of the redeposition results from the higher thermodynamic driving force for Ga incorporation than for In during HVPE growth and the difference in the volatility of the III-Cl etch products. The resulting morphologies have high broadband scattering, as determined by normal specular reflectance and integrating sphere measurements, indicating effectiveness as light-scattering structures. In a 270-nm-thick GaAs photovoltaic device with a textured back surface, we achieve a 4.9% increase in short circuit current density (J SC ) without any loss in open-circuit voltage (V OC ) relative to a planar control using only a 60 s in situ texturing treatment.

14 SOLAR ENERGY↗

Reactivity Feedback Modeling in SAM

System Analysis Module (SAM) is being developed at Argonne National Laboratory as a modern system-level modeling and simulation tool for advanced non-light water reactor safety analyses. It utilizes the object-oriented application framework MOOSE to leverage the modern software environment and advanced numerical methods. The capabilities of SAM are being extended to enable the transient modeling, analysis, and design of various advanced nuclear reactor systems. This report presents the development of Point-Kinetics modeling and reactivity feedback mechanisms in SAM. It also presents a new capability for predicting the thermal expansion in various structural components by coupling SAM with an external thermomechanics module (Tensor Mechanics) from the MOOSE framework. The analysis of the transient behavior of a nuclear reactor requires the coupled simulation of reactor kinetics and thermal-hydraulics of the reactor core, especially for those unprotected transients where the reactor scram system may not function properly. The point kinetics model has been widely used for reactor safety analysis due to its simplicity to capture the transient behavior of the reactor. Various reactivity feedback models have been developed and integrated with the Point-Kinetics module, including fuel axial expansion, core radial expansion, fuel Doppler, and coolant density reactivity. The reactivity feedback models in SAM are similar to the respective models used in SAS4A/SASSYS-1. This report first presents the brief theory of the Point-Kinetics module and reactivity feedback models. A number of verification tests have been performed where the code simulations are compared to the analytical model results. The reactivity feedback due to the thermal deformation, such as the fuel axial expansion and core radial expansion, is important for SFR transient analysis. Simplified thermal expansion models for the fuel pin and reactor constrain system (e.g. grid plate) are developed and verified in SAM. Additionally, a coupling interface is developed to couple SAM with external thermomechanical analysis modules for more accurate predictions of the thermal expansion of different components during the transients. The current coupling interface has been tested with the Tensor Mechanics module from MOOSE. These point kinetics and reactivity feedback modeling capabilities have also been demonstrated by simulating the early stage of the unprotected loss-of-flow (ULOF) accident in the Advanced Burner Test Reactor (ABTR). Both the stand-alone SAM and coupled SAM and Tensor Mechanics simulations are performed. It is confirmed that the major physics phenomena in the heat transport system of the ABTR reactor are captured by SAM, and the point kinetics model, reactivity feedback models, and the coupling schemes are working well as expected.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗