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At least 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Electron Tunneling and X-Ray Photoelectron Spectroscopy Studies of the Superconducting Properties of Nitrogen-Doped Niobium Resonator Cavities

Scanning tunneling microscopy and spectroscopy and X-ray photoelectron spectroscopy (XPS) have been used to investigate the differences between the surface electronic structures and chemical structure of typically prepared and N-doped Nb cutouts from superconducting radio frequency (SRF) cavities. The goal of this work is to get insights into the fundamental physics and materials mechanisms behind the striking decrease of the surface resistance with the radiofrequency magnetic field, which has been observed by many groups on N-doped Nb cavities. In particular, we address the effects of N-doping on the superconducting properties at the surface of SRF cavities. XPS measurements reveal a significantly more oxidized Nb 3d states on the N-doped Nb surfaces which is confirmed by tunneling spectroscopy measurements. Analysis of the tunneling spectra in the framework of a recent model (A. Gurevich and T. Kubo Phys. Rev. B 96, 184515 (2017)) shows that the N-doping greatly reduces local distribution of superconducting properties on the surface, causes a significant shrinkage of the metallic suboxide and changes the contact resistance between the metallic suboxide and the bulk niobium toward an optimum value, resulting in a lower surface resistance. Combination of these factors enables one to effectively tune the density of states at the surface and to reveal the decrease of the surface resistance with the radio frequency field which follows from the BCS theory. A slightly reduced average gap and a smaller coherence length, revealed by tunneling spectroscopy in the vortex cores, have been found in the N-doped Nb samples compared to typically prepared Nb samples, indicating a stronger impurity scattering caused by nitrogen doping in a moderately disordered material.

Lechner, Eric M.↗
DOE OSTI2021

Pore-Scale Dynamics of Liquid CO2–Water Displacement in 2D Axisymmetric Porous Micromodels Under Strong Drainage and Weak Imbibition Conditions: High-Speed μPIV Measurements

Resolving pore-scale transient flow dynamics is crucial to understanding the physics underlying multiphase flow in porous media and informing large-scale predictive models. Surface properties of the porous matrix play an important role in controlling such physics, yet interfacial mechanisms remain poorly understood, in part due to a lack of direct observations. This study reports on an experimental investigation of the pore-scale flow dynamics of liquid CO 2 and water in two-dimensional (2D) circular porous micromodels with different surface characteristics employing high-speed microscopic particle image velocimetry (μPIV). The design of the micromodel minimized side boundary effects due to the limited size of the domain. The high-speed μPIV technique resolved the spatial and temporal dynamics of multiphase flow of CO 2 and water under reservoir-relevant conditions, for both drainage and imbibition scenarios. When CO 2 displaced water in a hydrophilic micromodel (i.e., drainage), unstable capillary fingering occurred and the pore flow was dominated by successive pore-scale burst events (i.e., Haines jumps). When the same experiment was repeated in a nearly neutral wetting micromodel (i.e., weak imbibition), flow instability and fluctuations were virtually eliminated, leading to a more compact displacement pattern. Energy balance analysis indicates that the conversion efficiency between surface energy and external work is less than 30%, and that kinetic energy is a disproportionately smaller contributor to the energy budget. This is true even during a Haines jump event, which induces velocities typically two orders of magnitude higher than the bulk velocity. These novel measurements further enabled direct observations of the meniscus displacement, revealing a significant alteration of the pore filling mechanisms during drainage and imbibition. While the former typically featured burst events, which often occur only at one of the several throats connecting a pore, the latter is typically dominated by a cooperative filling mechanism involving simultaneous invasion of a pore from multiple throats. This cooperative filling mechanism leads to merging of two interfaces and releases surface energy, causing instantaneous high-speed events that are similar, yet fundamentally different from, burst events. Finally, pore-scale velocity fields were statistically analyzed to provide a quantitative measure of the role of capillary effects in these pore flows.

Li, Yaofa↗
DOE OSTI2025

Hydrogen and water interactions with CrMnFeCoNi alloy from density functional theory calculations

High entropy alloys (HEAs) are a promising class of materials with remarkable mechanical and catalytic properties. Among these, the quinary CrMnFeCoNi alloy (also called “Cantor alloy”) has attracted considerable attention given its thermodynamic stability and remarkable mechanical properties under different temperatures. Given that various degradation mechanisms involve multiple contaminants, such as hydrogen and water in hydrogen embrittlement and surface poisoning, respectively, understanding their interactions with the Cantor alloy is critical for its practical applications as structural, nuclear, or hydrogen storage material. In this work, we perform first-principles calculations based on Density Functional Theory (DFT) to investigate such interactions when considering various microstructures, including bulk materials and those containing certain defects, such as grain boundaries, stacking faults, and vacancies. We also employ Global Sensitivity Analysis to identify the importance of different factors in the stability of the impurities. We find that the accuracy of the H formation energy is significantly affected by spin polarization and chemical short-range order. The study also identifies a strong tendency for hydrogen interstitials to segregate to Σ5(210)/[001] symmetric tilt grain boundary, even when H concentrations are high, suggesting that a certain type of grain boundaries acts as H sinks within the alloy. Further, this result is reinforced by the low formation energy of vacancy-hydrogen complexes, which can contain multiple hydrogen atoms. Finally, the surface reactivity analysis reveals that the adsorption energy of oxygen and hydroxyl groups is highly sensitive to the specific metal atom involved in the binding, with a clear preference for chromium atoms, which could have implications for the alloy’s oxidation and corrosion behavior.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Structural and physicochemical insights into pH-responsive poly(DEAEMA- co -HEMA)-grafted mesoporous silica nanoparticles

Mesoporous silica nanoparticles (SiO 2 ) grafted with responsive polymer shells are versatile hybrid systems. Understanding their three-dimensional organization in the hydrated state remains a significant challenge. Here, in this study, SiO 2 nanoparticles were functionalized with a poly(DEAEMA-co-HEMA) shell via a “grafting-from” polymerization strategy in aqueous media. Successful surface modification was confirmed by FTIR, thermogravimetric analysis, transmission electron microscopy, X-ray photoelectron spectroscopy, N 2 sorption, and ζ-potential, yielding grafting contents of 22% (p1 DEAEMA-co-HEMA ) and 49% (p2 DEAEMA-co-HEMA ). Small-angle neutron scattering (SANS) with solvent contrast variation was employed to elucidate the solution-state core–shell architecture of p1 and p2 hybrids at pH 2, where the grafted polymer shell is protonated and highly hydrated. Near contrast matching of the silica core, theoretically estimated at 58% D 2 O, suppressed the scattering intensity, enhancing sensitivity to the polymer shell. Constrained core–shell ellipsoid modeling across solvent contrasts revealed a systematic increase in shell thickness, overall particle dimensions, and shell anisotropy with increasing grafting content. In solution, the hydrated polymer shells were markedly more extended and structurally anisotropic than suggested by dry-state techniques structural characterization, highlighting the importance of solution-state structural analysis for accurately describing grafted polymer architectures.

Core-shell biomaterials↗
DOE OSTI2021

Online Monitoring System for Concrete Structures Affected by Alkali-Silica Reaction

This report presents a comprehensive study of developing ultrasonic wave and acoustic emission (AE) techniques for long-term monitoring of alkali-silica reaction (ASR) development in concrete. Small, medium, and full-scale concrete specimens were cast, conditioned, and monitored for various periods, from at least one year to 2.4 years. The reactive concrete specimens contain coarse or fine reactive aggregates to study the effects of different types of reactive aggregates. Confinements were also designed to simulate the 2-dimensional confinement effects of reinforcement in the shield building of nuclear power plants. The concrete specimens were stored in a environmental chamber with high humidity and high temperature to accelerate the ASR development. The ultrasonic monitoring data shows high sensitivity to ASR development and could detect cracking initiation well before visible surface cracks occurred. However, the linear ultrasonic analysis based on wave velocity is strongly affected by temperature variation. Therefore, a nonlinear ultrasonic method was proposed to measure thermally induced nonlinear acoustic responses of concrete (thermal modulation of ultrasonic wave). The measured nonlinear acoustic parameter shows a high correlation with ASR expansion across specimens with different reactive aggregates and confinement conditions. The same conclusion was obtained from nonlinear resonance tests on small concrete prisms. Compared to the linear acoustic methods, the nonlinear tests show high sensitivities to ASR damage from internal microcracking initiation at the early stage to visible cracks at the late stage of ASR. The attributes of the thermal modulation of nonlinear ultrasonic method include high sensitivity, immunity to temperature effects, and strong correlation with ASR expansion, which demonstrate great potentials of the nonlinear ultrasonic method for diagnosis of ASR damage and prediction of concrete deterioration process. Acoustic emission is a passive sensing technique for damage assessment, and access to only one surface is needed even for thick and heavily reinforced elements such as the walls utilized for nuclear shield building. Additionally, relatively few sensors are required to monitor the progression of the damage process. Results indicate that the AE data can be related to the damage rating index, which is a petrography-based means of assessing damage due to ASR in reinforced concrete. Furthermore, AE is capable of detecting ASR damage long before surface cracking is visually noticeable. Boundary conditions play in important role in the progression of ASR damage and differences in boundary conditions are reflected in the AE data. Entropy based data assessment methods provide a means to assess the damage state, and convolutional neural network based data assessment provided a means to assess the damage state in real-time. Results indicate that artificial neural network models may be used as a means to predict volumetric expansion based on AE data.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

An asymptotically compatible treatment of traction loading in linearly elastic peridynamic fracture

Meshfree discretizations of state-based peridynamic models are attractive due to their ability to naturally describe fracture of general materials. However, two factors conspire to prevent meshfree discretizations of state-based peridynamics from converging to corresponding local solutions as resolution is increased: quadrature error prevents an accurate prediction of bulk mechanics, and the lack of an explicit boundary representation presents challenges when applying traction loads. Herein, we develop a reformulation of the linear peridynamic solid (LPS) model to address these shortcomings, using improved meshfree quadrature, a reformulation of the nonlocal dilatation, and a consistent handling of the nonlocal traction condition to construct a model with rigorous accuracy guarantees. In particular, these improvements are designed to enforce discrete consistency in the presence of evolving fractures, whose a priori unknown location render consistent treatment difficult. In the absence of fracture, when a corresponding classical continuum mechanics model exists, our improvements provide asymptotically compatible convergence to corresponding local solutions, eliminating surface effects and issues with traction loading which have historically plagued peridynamic discretizations. When fracture occurs, our formulation automatically provides a sharp representation of the fracture surface by breaking bonds, avoiding the loss of mass. We provide rigorous error analysis and demonstrate convergence for a number of benchmarks, including manufactured solutions, free-surface, nonhomogeneous traction loading, and composite material problems. Finally, we validate simulations of brittle fracture against a recent experiment of dynamic crack branching in soda-lime glass, providing evidence that the scheme yields accurate predictions for practical engineering problems.

42 ENGINEERING↗
DOE OSTI2024

Land Processes Can Substantially Impact the Mean Climate State

Terrestrial processes influence the atmosphere by controlling land-to-atmosphere fluxes of energy, water, and carbon. Prior research has demonstrated that parameter uncertainty drives uncertainty in land surface fluxes. However, the influence of land process uncertainty on the climate system remains underexplored. Here, we quantify how assumptions about land processes impact climate using a perturbed parameter ensemble for 18 land parameters in the Community Earth System Model version 2 under preindustrial conditions. We find that an observationally-informed range of land parameters generate biogeophysical feedbacks that significantly influence the mean climate state, largely by modifying evapotranspiration. Global mean land surface temperature ranges by 2.2°C across our ensemble (σ = 0.5°C) and precipitation changes were significant and spatially variable. Our analysis demonstrates that the impacts of land parameter uncertainty on surface fluxes propagate to the entire Earth system, and provides insights into where and how land process uncertainty influences climate.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Liquid lithium as divertor material to mitigate severe damage of nearby components during plasma transients

The successful operation of thermonuclear fusion reactors such as ITER, DEMO, and future commercial plants is mainly determined by the optimum choice of materials for various components. The objective of this work is to accurately and comprehensively simulate the entire device in 3D to predict pros and cons of various materials, e.g., liquid lithium in comparison to tungsten and carbon to predict future ITER-like and DEMO divertor performances. We used our comprehensive HEIGHTS simulation package to investigate ITER-like components response during transient events in exact 3D geometry. Starting from the lost hot core plasma particles through SOL, deposition on the divertor surface, and the generation of secondary plasma of divertor materials. Our simulations predicted significant reduction in the heat loading and damage to the divertor nearby and internal components in the case when lithium is used on the divertor plates. While if tungsten or carbon are used on the divertor plate, significant melting areas and vaporization spots can occur (less for carbon) on the reflector, dome, and stainless steel tubes, and even parts of the first walls can melt due to the high radiation power of the secondary divertor plasma. Lithium photon radiation deposition into the divertor and nearby surfaces was decreased by two orders of magnitude compared to tungsten and by one order of magnitude compared to carbon. This analysis showed that using liquid lithium for ITER-like surfaces and future DEMO can lead to significant enhancement in components lifetime.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Comparative analysis of internal energy excitation and dissociation of nitrogen predicted by independently developed ab initio potential energy surfaces

In this article we present a comparative atomic level study analyzing the vibrational excitation and dissociation of molecular nitrogen due to N 2 ⁢( 1 Σ g ⁢ + )+N⁢( 4 S u ) and N 2 ⁢( 1 Σ g ⁢ + )+N 2 ⁢( 1 Σ g ⁢+ ) interactions governed by independently developed potential energy surfaces at the University of Minnesota and NASA Ames Research Center. Further, vibrational excitation was studied for N 2 +N 2 interactions from T=10000 to 25000 K and for N 2 +N from T=5000 to 30000 K. Nonequilibrium dissociation is studied from T=10000 to 30000 K under the quasi-steady-state condition for N 2 +N 2 and N 2 +N interactions. Finally, an inviscid Mach 20 dissociating nitrogen flow over a cylinder with a Knudsen number of 0.015 is carried out to study the impact of molecular interactions predicted by independently developed potential energy surfaces on a canonical hypersonic flow.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

An efficient method to identify uncertainties of WRF-Solar variables in forecasting solar irradiance using a tangent linear sensitivity analysis

Uncertainty in predicting solar energy resources introduces major challenges in power system management and necessitates the development of reliable probabilistic solar forecasts. As the first part of the development of probabilistic forecasts based on the Weather Research and Forecasting model with solar extensions (WRF-Solar), this study presents a tangent linear approach to identify input variables responsible for the largest uncertainties in predicting surface solar irradiance and clouds. A tangent linear analysis is capable of efficiently investigating sensitivities of output variables with respect to various input variables of WRF-Solar because this approach avoids the computational burden of perturbing the initial conditions of individual input variables. We develop tangent linear models (TLMs) for six WRF-Solar physics packages that control the formation and dissipation of clouds and solar radiation, and we evaluate the validity of TLMs using a linearity test. The tangent linear sensitivity analysis is conducted under various scenarios based on satellite observations and model simulations to consider realistic input conditions. A simple method is used to quantify the impact of the uncertainty of input variables on the output variables from the TLMs. The results demonstrate that uncertainties in the output variables that are the focus of this study—including global horizontal irradiance, direct normal irradiance, cloud mixing ratio, cloud tendency, cloud fraction, and sensible and latent heat fluxes—are highly sensitive to uncertainties in 14 input variables. This study indicates that the tangent linear method can identify key variables of physics modules in WRF-Solar that can be stochastically perturbed to generate ensemble-based probabilistic forecasts.

14 SOLAR ENERGY↗
DOE OSTI2024

Restructuring of the Lewis Acid Sites in Y-Modified Dealuminated Beta-Zeolite by Hydrothermal Treatment

Yttrium-modified dealuminated Betazeolite (Y-BEA) represents a type of Lewis acid zeolite that has gained attention for its potential to efficiently catalyze the conversion of biomass-derived oxygenates. The structure of the Y active sites and their dynamics during biomass conversion reactions, which normally involve substantial amounts of water, necessitate thorough investigation for the rational design of more active and stable catalysts. Here, we conducted a study where a series of Y-BEA catalysts with different yttrium loadings (1–7 wt.%) were subjected to hydrothermal treatment (450 °C, 20% water) and investigated for their structural and catalytic activity changes through a combination of multiple characterizations and kinetic measurements. The number of acid sites of Y-BEA decreased without a change in acid strength following the hydrothermal treatment, which was confirmed by the results of acid site titration, infrared spectroscopy of probe molecules, and kinetic measurements for probe reactions (acetone aldol condensation). Structural analysis using X-ray diffraction (XRD), specific surface area measurement, X-ray absorption spectroscopy (XAS), and X-ray photoelectron spectroscopy (XPS) demonstrated that both the zeolite structure and the isolation status of the Y site remain intact after hydrothermal treatment. Further, the Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS) spectra, thermogravimetric analysis (TGA), and operando 1 H and 29 Si magic-angle spinning (MAS) nuclear magnetic resonance (NMR) revealed the dehydroxylation of Y-BEA induced by hydration-rearrangement-condensation restructuring during the high-temperature steam treatment. Dehydroxylation affects the structure of Y sites by reducing their vicinal silanol sites. In conclusion, this conversion of Lewis acidic Y sites into nonacidic sites is the primary factor behind the change in acid site quantity and catalytic activity on Y-BEA.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Signatures of Cooper pair dynamics and quantum-critical superconductivity in tunable carrier bands

Different superconducting pairing mechanisms are markedly distinct in the underlying Cooper pair kinematics. Quantum-critical soft modes drive pairing interactions in which the pair scattering processes are highly collinear and can be classified into two categories: forward scattering and backscattering. Conversely, in conventional phonon mechanisms, Cooper pair scattering is of a generic noncollinear character. In this study, we present a method to discern the kinematic type by observing the evolution of superconductivity while adjusting the Fermi surface geometry. To demonstrate our approach, we utilize the recently reported phase diagrams of untwisted graphene multilayers. Our analysis connects the emergence of superconductivity at “ghost crossings” of Fermi surfaces in distinct valleys to the pair kinematics of a backscattering type. Together with the observed nonmonotonic behavior of superconductivity near its onset (sharp rise followed by a drop), it lends strong support to a particular quantum-critical superconductivity scenario in which pairing is driven by intervalley coherence fluctuations. These findings offer direct insights into the genesis of pairing in these systems, providing compelling evidence for the electron–electron interactions driving superconductivity. More broadly, our work highlights the potential of tuning bands via ghost crossings as a promising means of boosting superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Electrolytic Etching of Germanium Substrates with Hydrogen Peroxide

Anodic electrolytic etching of germanium has been performed in hydrogen peroxide etchants with controlled external conditions. In-situ current and ex-situ etch-depths were measured and tracked with respect to etchant composition and stir rates. Gas bubbles formed during the etching process were found to cause non-uniformity in etch-current and surface quality. The effects were minimized in specific composition spaces. Quantitative analysis revealed a linear correlation of the number of electrons transferred during germanium oxidation with the number of surface atoms removed. Experimental results of 2.77 electrons/atom deviate significantly from 4 electrons/atom previously reported for silicon. The conclusion is that etching mechanisms for germanium are sufficiently different from those for silicon which invalidates the direct transfer of processing techniques between the two materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Evolution of Metastable Structures at Bimetallic Surfaces from Microscopy and Machine-Learning Molecular Dynamics

The restructuring of interfaces plays a crucial role in materials science and heterogeneous catalysis. Bimetallic systems, in particular, often adopt very different compositions and morphologies at surfaces compared to the bulk. For the first time, we reveal a detailed atomistic picture of long-time scale restructuring of Pd deposited on Ag using microscopy, spectroscopy, and novel simulation methods. By developing and performing accelerated machine-learning molecular dynamics followed by an automated analysis method, we discover and characterize previously unidentified surface restructuring mechanisms in an unbiased fashion, including Pd-Ag place exchange and Ag pop-out as well as step ascent and descent. Remarkably, layer-by-layer dissolution of Pd into Ag is always preceded by an encapsulation of Pd islands by Ag, resulting in a significant migration of Ag out of the surface and a formation of extensive vacancy pits within a period of microseconds. These metastable structures are of vital catalytic importance, as Ag-encapsulated Pd remains much more accessible to reactants than bulk-dissolved Pd. We report our approach is broadly applicable to complex multimetallic systems and enables the previously intractable mechanistic investigation of restructuring dynamics at atomic resolution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

The Importance of Viscous and Interfacial Forces in the Hydrodynamics of the Top-Submerged-Lance Furnace

The purpose of this work is to focus on the hydrodynamics of a Top-Submerged-Lance (TSL) smelting furnace, understanding how liquid properties and operational parameters act on key factors of a TSL process, such as splashing, mixing, mass transfer area, and bubble development. A deep knowledge of all those aspects is needed since they all influence the smelting reaction rates; hence the efficiency of the reactor. The characterization and scaling of the TSL gas injection are commonly based on the modified Froude number, the ratio of dynamic and gravitational forces. Detailed literature research reveals a potential weakness of this approach, since it does not consider the effects of viscosity and surface tension. To investigate this question an extensive parametric study was performed applying computational fluid dynamics to cold and non-reactive flows, which provided a broad overview of the physics of the flow. The analysis was performed on fluid dynamic properties (liquid density, liquid viscosity, surface tension) and operational variables (gas volume flow, lance immersion depth). The coupled Level Set—Volume of Fluid model, available in the commercial solver ANSYS Fluent{sup ®}, was used to resolve the gas–liquid interface in the multiphase flow. The results of the work underscore the significance of the viscous and interfacial forces for gas injection in smelting slags, confirming the incompleteness of applying only the Froude number to describe such flows.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Atmospheric Pressure Plasma Treatment of Magnesium Alloy for Enhanced Coating Adhesion and Corrosion Resistance

Atmospheric pressure plasma (AP) treatment, using an open-air jet of ionized CO 2 , N 2 , or air, was applied to AZ91D Mg alloy surfaces to investigate its effects on primer coating adhesion and corrosion resistance. The CO 2 and air AP treatments formed an O- and C-rich surface layer (Mg-O-C) consisting of agglomerated nanoparticles and pits with a depth of a few microns and increasing the surface roughness by 6–8 times compared with the reference 600 grit-finished surface. Then, three commercial primers, zinc phosphate (ZnP), chromate-containing epoxy, and MIL23377, were applied on the treated surfaces to evaluate the corrosion resistance associated with the coating adhesion. Microscopic analysis demonstrated stronger interlocking between the primer layer and the nano-/microrough Mg-O-C surface compared to the untreated (600 grit-finished) surfaces, indicating improved coating adhesion and corrosion resistance. Crosscut tests of the MIL23377 primer on the CO 2 and air AP-treated surfaces showed the highest level of adhesion, ASTM class 5B. Salt spray corrosion tests showed that after 8 days of exposure, the primer coatings on air AP-treated surfaces had corrosion areas that were more than four times smaller than that of the 600 grit-finished surface. The N 2 AP treatment showed similar adhesion enhancement. The preliminary operation expenses for AP treatment using CO 2 , N 2 , and air were estimated at USD 30.62, USD 35.45, and USD 29.75 (from an air cylinder)/USD 0.66 (from an air compressor) per m 2 , respectively.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Measurement of Fission Product Concentration Profiles in AGR-3/4 TRISO Fuel Graphitic Matrix and Nuclear Graphites

The third Advanced Gas Reactor (AGR) irradiation experiment, AGR-3/4, was designed to investigate the migration of fission products in fuel compact graphitic matrix and reactor graphite components. Using destructive methods, radial fission product concentration profiles were measured for gamma-emitting fission products (e.g., Ag-110m, Cs-134, and Eu-154) and beta-emitting Sr-90 in irradiated graphitic and graphite components from six different AGR-3/4 irradiation capsules. These new measured concentration profiles can now be compared to non-destructive measurements and fission product transport simulations and will be used to derive new diffusivities and sorptivities to support refinement of fission product transport models and high-temperature gas-cooled reactor (HTGR) source-term analyses. Each capsule in the AGR-3/4 experiment had four fuel compacts in the middle of two concentric rings of graphitic matrix material, PCEA graphite, or IG-110 graphite. In addition to the approximately 1898 tristructural isotropic (TRISO) coated particles in each compact, there were 20 designed to fail (DTF) particles coated only in pyrocarbon so that they released fission products into the surrounding cylindrical rings of carbonaceous materials. Destructive sampling of the rings involved machining/milling material from around the circumference of the rings, collecting that material, and performing radiochemical analyses on it. Milling operations were performed in multiple steps or segments, and each segment was generally 0.508 mm (0.020 in) thick. Knowing the radial position at which each segment was milled, the volume of the milled material at each segment, and the fission product content in each segment, the radial fission product concentrations were constructed for select isotopes in each ring. Ag-110m profiles had the most variation. Some profiles were peaked at an inner or outer surface. Some were peaked at the middle of the ring wall thickness. Some increased radially outward, and some decreased radially outward. These types of variations and the fact that the measured profiles do not generally compare favorably with the transport model employed for AGR-3/4 may adversely impact the ability to extract reasonable transport parameters for this isotope. In many cases, the Cs-134 profiles decreased somewhat linearly in the outward radial direction, and in cursory comparisons, the shapes of these profiles appeared similar to those from model predictions. The step changes in concentration across the inner-outer ring gap were generally consistent with the model predictions as well. In some cases, there were local maxima in concentration at the outer surface of the rings. This suggests that fission products could have transported in the small gaps between the inner ring and the outer ring and between the outer ring and the sink ring such that some portion of a given fission product can bypass diffusion through the ring itself. The analysis of the small nubs on the outer surfaces of some of the outer rings revealed fission product concentrations in the nubs that were often higher than in the outermost segments of the rings. This further supports the hypothesis that short-circuit, gap transport occurred, causing relatively high surface concentrations on the outer surfaces of the rings. Eu-154 and Sr-90 profiles tend to have very similar shapes, suggesting that they transport via the same mechanisms. The observed profiles were indicative of a transport process where the isotopes are sorbed on the inner surface of the ring, but diffusion into the ring from that surface is quite slow. Some elevated concentrations of Sr-90 (relative to Eu-154) on the outer surface of a ring suggested that rapid, gas-gap transport of gaseous precursor Kr-90 and volatile Rb-90 could have occurred prior to their decaying to Sr-90. Overall, the Eu 154 and Sr-90 profiles were still very similar, which indicates that the transport of short-lived Sr-90 precursors is not a major effect. In some capsules, the qualitative Sr-90 behavior across the ring gaps was consistent with the model (using the available legacy Sr-90 transport parameters), but in other capsules the model was inconsistent with the measurements and seems to underestimate the amount of Sr-90 in the outer rings. The total ring Sr-90 inventories were estimated for all the rings that were subject to physical sampling. These results will be used to adjust the predicted particle and/or compact releases used in the AGR-3/4 fission product transport model. Given the different irradiation temperatures among the capsules and the rings, it was not possible to discern fundamental differences in the transport of isotopes within the different carbon materials, i.e., graphitic matrix, IG-110, or PCEA. It may be possible to do this in the course of determining transport from the concentration profiles in future work.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗