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Some results of the oxidation investigation of copper and silver samples flown on LDEF

The Long Duration Exposure Facility (LDEF) Mission provides a unique opportunity to study the long term effects of the space environment on materials. The LDEF has been deployed in orbit on 7 April 1984 by the shuttle Challenger in an almost circular orbit with a mean altitude of 477 km and an inclination of 28.5 degrees. It was retrieved from its decayed orbit of 335 km by the shuttle Columbia on 12 January 1990 after almost 6 years in space. The LDEF is a 12-sided, 4.267 m diameter, and 9.144 m long structure. The experiments, placed on trays, are attached to the twelve sides and the two ends of the spacecraft. The LDEF was passively stabilized with one end of the spacecraft always pointing towards the earth center and one of the sides (row 9) always facing the flight direction. The materials investigated originate from the Ultra-Heavy Cosmic Ray Experiment (UHCRE). The main objective is a detailed study of the charge spectra of ultraheavy cosmic-ray nuclei from zinc to uranium and beyond, using solid-state track detectors. Besides the aluminium alloy used for the experiment, UHCRE comprises several other materials. The results of space exposure for two of them, the copper grounding strips and the thermal covers (FEP Teflon/Ag/Inconel) painted black on the inner side (Chemglaze Z306), are presented.

Derooij, A.↗

Impacts of Irradiation Structural Behavior on Thermal Hydraulics Safety Analysis to Support MURR LEU Conversion

The University of Missouri Research Reactor (MURR) located in Columbia, Missouri is one of six U.S. High Performance Research Reactors (USHPRR), including one critical facility, that is actively collaborating with U. S. Department of Energy (DOE) National Nuclear Security Administration (NNSA) Material Management and Minimization (M3) Office of Reactor Conversion and Uranium Supply to convert from the use of highly enriched uranium (HEU; ≥20 wt% U-235) to low-enriched uranium (LEU; <20 wt% U-235) fuel. A new type of very high-density LEU fuel based on an alloy of uranium and 10 wt% molybdenum (U-10Mo) is expected to allow the conversion to LEU of MURR, as well as four other USHPRR. MURR has been working with the Reactor Conversion Pillar at Argonne to perform fuel element design and fuel cycle performance analyses, steady-state thermal hydraulics safety analysis, and accident safety analyses in preparation for the conversion of MURR and to support a preliminary safety analysis report for conversion to LEU fuels. Subsequent analyses have also been performed, including transition cycles where all-fresh LEU fuel elements are introduced upon conversion and progressing through reactor operations the core is brought to equilibrium. Thermal hydraulics safety analyses performed as part of the above have employed an assumption on channel gap reduction due to burnup-related phenomena including fuel swelling, irradiation creep, and oxide layer buildup. Recently, a series of structural analyses have been performed on the MURR LEU fuel plates and an element due to significant differences between the plate and element designs of the MURR HEU and LEU fuels. In addition, NUREG-1537 indicates that structural phenomena are to be evaluated. Two separate types of structural analyses were performed for the MURR LEU fuel element: fluid-structure interaction (FSI) and irradiation thermo-mechanical. The FSI analysis evaluated the effects of hydraulic forces on the MURR LEU fuel element to quantify the flow-induced plate deflection, and a minimal impact to the channel gap thickness was predicted under prototypic and bounding conditions. The irradiation thermo-mechanical analysis evaluated the effects of fuel swelling, irradiation creep, and thermal expansion for the MURR LEU plates and the element for prototypic thermal and irradiation conditions based on a high-fidelity approach multiphysics approach. Overall, this thermo-mechanical analysis predicts smaller gap thickness changes in previously limiting regions. Larger changes are predicted in the middle of channels, and for end channels where power density is not typically a maximum. An additional thermo-mechanical analysis was performed for the outermost HEU fuel plate, which showed a similar magnitude of deflection as the outermost LEU plate. Due to substantial differences between the channel gap reductions assumed for the previous safety analyses and those predicted by the irradiation thermo-mechanical analysis, a need to evaluate their impact on the thermal hydraulics safety analyses arose. This report presents the results from the steady-state safety analyses for normal operation as well as the accident analyses for the two most limiting accident scenarios.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Status Report on the Electroreduction of Metal Oxides

SRNL is working with Argonne National Laboratory (ANL) to adapt and demonstrate the electroreduction technology. SRNL will also draw on the extensive work cited in the literature and the experience gained at Y-12. Since most of the development efforts have focused on irradiated UO 2 fuel pellets, several noteworthy gaps exist in the technology for processing purified U 3 O 8 powder. SRNL research efforts will address some of those gaps. This report focuses on two activities. Task 1 is to establish an electrochemical reduction test capability at SRNL. Task 2 is to evaluate potential alternate anode materials.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Fracture Strength Determination Methods for Ceramic Materials Applied to Uranium Dioxide

The Advanced Fuels Campaign is currently focusing on development of accident-tolerant fuels that possess a range of property modifications intended to improve fuel performance during accident and transient conditions as well as extend license limits to burnups beyond 62 MWd/kgU. Both of these drivers have identified understanding and mitigating fuel cracking as a key performance criterion. Small-scale cantilever beam testing has been identified as a plausible method by which to collect fracture data for UO 2 as a function of chemical and structural evolutions introduced either during fabrication or irradiation. While this method has been found to be capable of providing data that are in reasonable agreement with literature for unirradiated UO 2 , the inherently small sample volumes that can be sampled limit its ability to capture the statistical nature of mechanisms that govern the fracture of brittle ceramics. A biaxial flexure strength test was developed to be used for unirradiated UO 2 . This method is standard in the community, but no systems presently in use at national laboratories, universities, or private companies are available to be used for nuclear fuel materials. This report describes the operation and benchmarking of this system, which has been validated for a number of common oxides. Future work will extend this system to characterization of both doped UO 2 and other relevant microstructural modifications that can also be measured using small-scale cantilever beam testing. Comparison of datasets collected using both methods will allow the overall applicability of small-scale techniques to be assessed and provide confidence or bounds on their use for irradiated fuels.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Improving stability of ALD ZrN thin film coatings over U-Mo dispersion fuel

Atomic layer deposition (ALD) of ZrN is a candidate technology for coating U-Mo dispersion fuel as a diffusion barrier coating. During the early development stages of the coating the ZrN deposition showed to be mechanically unstable and ultimately resulted in spalling. Based on experimental outcomes it was found that instabillity can be eliminated through the introduction of a thin amorphous (a) Al 2 O 3 interlayer coating deposited in between the ~1-μm thick ZrN and the U-Mo. substrate. To elucidate these findings simulations were performed with density functional theory (DFT) to measure work of adhesions at different interfaces while finite element modeling (FEM) was performed to measure the residual stress distribution. DFT indicated that the ZrN coating deposited over (a)-Al 2 O 3 is ~2.5 times stronger when compared to direct deposition over U or UO 2 substrate. While calculations from FEM recognized; (1) large stress concentrations can originate from the irregularly distributed native surface oxides (UO 2 ) over U-Mo and (2) stress concentrations can be reduced if those surface UO 2 can be modified to a uniform layer (achieved after application of a 8 nm (a)-Al 2 O 3 interlayer). These results provided explanations and confirmed the role played by interlayer in eliminating the original mechanical instability of the ZrN.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Hydrogen Transport in a Model 9979 Shipping Package with Inner Convenience Cans

Radiolytic hydrogen production and accumulation inside containment packages is a concern at any facility responsible for their packaging, storage, transportation, and/or disposal. When hydrogen gas accumulates to concentrations above the Lower Flammability Limit (LFL) which is 4% or 40,000 ppm in air, the possibility of a deflagration or explosion increases. This concern persists over the course of the package lifetime which is unlimited when disposed of by burial or in permanent repositories. Here, we report on a numerical model used to predict the concentration of hydrogen within each layer of a Model 9979 package containing a convenience can assembly. Simulations show the hydrogen concentration to always be highest in the inner convenience can containing the radioactive source. When the radioactive source is within the Los Alamos National Laboratory (LANL) Packaging Limits, the hydrogen concentration is shown to remain well below the LFL at all times including packaging, storage, transportation, and disposal. A hydrogen transport model is presented for a Model 9979 package system containing a nested arrangement of convenience cans, which are tin oxide coated steel cans of various sizes with a slip-lid assembly. The inner convenience can contains the radioactive source material along with an unknown quantity of incidental water acquired from humid air or processing. While visible organic materials such as paper and plastics were purposely excluded from the inner can, it is not possible to claim the wastes are entirely organic free. The inner convenience can is tape sealed and placed into a plastic bag which is horsetail closed (i.e., twisted and taped). The bagged can is placed into an outer convenience can that is also tape sealed. The can assembly is then placed into the 30 gallon drum and subsequently placed inside the 55 gallon drum in the 9979 package. Here we assume hydrogen gas is produced in the inner convenience can from alpha radiolysis of water at a rate dependent on the quantity of uranium isotopes and water present. The hydrogen transport model was used to calculate hydrogen accumulations within the package’s five layers at different times and conditions. These simulations serve two purposes; (i) to build confidence in the model by comparing predicted values to measured values, and (ii) to check the steady state hydrogen concentrations that are approached at long times in the package’s lifetime. Model simulations were compared to gas samples taken from the 30 gallon drum after storage at LANL’s Chemistry and Metallurgy Research (CMR) building for around 500 days. Hydrogen concentration calculations over much longer periods (i.e., more than 270 years) included extreme storage durations, transportation at extreme cold temperatures, and disposal of packages assuming different average temperatures.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Unraveling Spatio-Temporal Chemistry Evolution in Laser Ablation Plumes and Its Relation to Initial Plasma Conditions

The chemistry evolution in a laser ablation plume depends strongly on its initial physical conditions. In this article, we investigate the impact of plasma generation conditions on the interrelated phenomena of expansion dynamics, plasma chemistry, and physical conditions. Plasmas are produced from a uranium metal target in air using nanosecond, femtosecond, and femtosecond filament-assisted laser ablation. Time-resolved two-dimensional spectral imaging was performed for evaluating the spatio-temporal evolu-tion of atoms, diatoms, polyatomic molecules, and nanoparticles in situ. Emission spectral features reveal that molecular formation occurs at early times in both femtosecond and filament ablation plumes, although with different temporal decay. In contrast, mo-lecular formation is found to occur at much later times in nanosecond plasma evolution. Spectral modeling is used to infer tem-poral behavior of plasma excitation temperature, and results highlighted that nanosecond plume temperatures decay rapidly while plumes generated by filament ablation show slowest decay. In this work, we find U atoms and UO molecules co-exist in ultrafast laser produced plasmas even at early times after plasma onset owing to favorable temperatures for molecular formation. Regardless of irradiation conditions, plume emission features showed presence of higher oxides (i.e. UxOy), although with different temporal histories. Our study provides insight into the impact of plasma generation conditions on chemistry evolution in plasmas produced from traditional focused femtosecond, nanosecond, and filament-assisted laser ablation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Unraveling pH-Dependent Changes in Adsorption Structure of Uranyl on Alumina (012)

Mitigating uranium transport in groundwater is imperative for ensuring access to clean water across the globe. Here, in situ resonant anomalous X-ray reflectivity is used to investigate the adsorption of uranyl on alumina (012) in acidic aqueous solutions, representing typical U VI concentrations of contaminated water near mining sites. The analyses reveal that U VI adsorbs at two distinct heights of 2.4-3.2 and 5-5.3 angstrom from the surface terminal oxygens. The former is interpreted as the mixture of inner-sphere and outer-sphere complexes that adsorb closest to the surface. The latter is interpreted as an outer-sphere complex that shares one equatorial H 2 O with the terminal surface oxygen. With increasing pH, we observe an increasing prevalence of these outer-sphere complexes, indicating the enhanced role of the hydrogen bond that stabilizes adsorbed uranyl species. Finally, the presented work provides a molecular-scale understanding of sorption of uranyl on Al-based-oxide surfaces that has implications for environmental chemistry and materials science.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Neptunium extraction by N,N-dialkylamides

Separation of neptunium by solvent extraction has been based on tributylphosphate (TBP) for decades, but TBP is not fully incinerable, which adds to the burden of long-lived radioactive waste. Alternatives to TBP for uranium and plutonium extraction, such as the N , N -diakylamides, previously have been explored in the hopes of transitioning to an extractant that is incinerable. Four N , N -diakylamides, N , N -dihexylhexanamide (DHHA), N , N -dihexyloctanamide (DHOA), N , N -di(2-ethylhexyl)butanamide (DEHBA), and N , N -di(2-ethylhexyl)-iso-butanamide (DEHiBA) were considered in this work for their potential to extract millimolar concentrations of Np(IV), Np(V), and Np(VI) from nitric acid solutions into organic solutions containing 1 M extractant in Exxsol D60. Furthermore, under these conditions the branching of the alkyl substituents affects the extractability of Np(VI) and Np(IV), causing three of the dialkylamides, DHHA, DHOA and DEHBA, to extract neptunium in the expected order Np(VI) > Np(IV) > > Np(V). In contrast, branched DEHiBA is so poor an extractant for Np(IV) that the extraction order becomes Np(VI) > > Np(V) > Np(IV) between 0.1 and 5.6 M HNO 3 due to partial oxidation of the Np(V) in nitric acid.

07 ISOTOPE AND RADIATION SOURCES↗

Uranium and Nickel Partitioning in a Contaminated Riparian Wetland

Uranium (U) and nickel (Ni) released 50 years ago have been immobilized in the Tims Branch wetlands located on the Savannah River Site in the United States. Sediments were collected from seven locations to identify the factors responsible for this attenuation. Ni and U contents in the solids were significantly correlated, suggesting that depositional as opposed to chemical processes contributed to their spatial distribution. Based on sequential extractions, 63 ± 16% of the U was partitioned into the organic fraction, whereas Ni was distributed between several sediment fractions. An inverse pH-organic matter (OM) correlation and positive correlations of OM with total U and organic-bound U/Ni suggest that increased OM preservation and binding to the mineral surfaces were likely responsible for Ni- and especially U-sediment retention (Tims Branch pH = 4.84 ± 0.68). EXAFS analysis indicated the predominance of U(VI) coordinated with clay minerals (~65%), together with ~35% coordinated to either OM (in areas with elevated OM levels) or iron oxides. The desorption-Kd coefficients of U (3972 ± 1370 L/kg) and Ni (30 ± 8 L/kg) indicate that dissolved Ni poses a greater long-term risk than dissolved U for migrating downstream. This study suggests that a delicate balance of geochemical properties controls whether wetlands behave as sinks or sources of contaminants.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗

Recent Advances in Radiation-Induced Actinide Redox Chemistry

The actinide series boasts many unique physical and chemical features worthy of both fundamental and applied study. However, the chemical influence of their inherent radiation field is often overlooked, especially as we begin to explore the late actinides in more detail than ever possible before. From the perspective of used nuclear fuel reprocessing, the absorption of ionizing radiation induces the formation of a variety of transient and steady-state excited states, radicals, ions, and molecular degradation products, many of which are highly redox active and can lead to significant changes in a reprocessing solvent system’s physical and chemical properties. For example, radiolysis of the actinides can drive steady-state redox distributions and the formation of non-traditional oxidation states which can complicate their separation and recovery from fission products. This scenario is further exacerbated when complexation is taken into account. Consequently, a molecular-level understanding of radiation effects on the actinides over multiple time, distance, and material domains is essential for supporting innovation in used nuclear fuel reprocessing technologies. Attaining this knowledge necessitates a firm grasp of actinide radiation chemistry to develop predictive, mechanistic, multiscale models to support engineering efforts. Presented here are several recent studies that highlight recent advances in actinide radiation chemistry, in particular, the effect of actinide complexation on ligand reactivity towards radiation-induced transients.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Controlling Cation-Cation Interactions in Uranyl Coordination Dimers by Varying the Length of the Dicarboxylate Linker

The chemistry of linear uranyl(V/VI) dioxo cations, [O yl –U–O yl ] +/2+ , is dominated by coordination of uranium in the equatorial plane. Effects of this constraint were evaluated by experiment and theory for gas-phase mixed-valence U V/VI coordination dimers in which uranyl moieties are linked by alkyl dicarboxylates, [(UO 2 + )(UO 2 2+ )(OOC-(CH 2 ) n-2 -COO 2– ) 2 ] – (n = 3–12). Faster O 2 -addition to dimers with short linkers n = 3 and 4, vs. n ≥ 5, suggests a structural difference. Computed structures with the shortest linkers have bridging dicarboxylates and nearly parallel, non-interacting uranyls. Longer linkers, n = 5–7, accommodate uranyl orientations with distinct U V –U VI end-on cation-cation interactions (CCIs), whereby Lewis base O yl from U V coordinates to the acid U VI , denoted as U V O yl ···U VI . The dimer structure for n = 8 has a U V –U VI side-on diamond-shape CCI, with U V O yl ···U VI and U VI O yl ···U V interactions. Addition of O 2 to the n = 4 and 5 dimers yields [(UO22+)2(OOC-(CH2)n-2-COO2–)2(O2–)]–, with U V oxidized to U VI and O 2 reduced to O 2 – . Whereas O 2 can associate to and oxidize the exposed U V center for dimers with n = 3 and 4, the more crowded U V site in the CCI structures inhibits O 2 addition. Finally, the results demonstrate rational structural control of uranyl-uranyl bonding and reactivity in small coordination complexes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Bonding and reactivity of isostructural uranyl and neptunyl peroxide phases

Understanding the reactivity of actinide peroxides is critical for predicting the behavior of spent nuclear fuel in radiolytic environments. Herein, we report the synthesis and characterization of a lithium neptunyl(VI) hydroxo peroxo compound (LiNp), which is isostructural to the uranyl analogue (LiU). Single-crystal X-ray diffraction reveals that LiNp contains both [NpO 2 (O 2 ) 3 ] 4- and [NpO 2 (OH) 4 ] 2- units stabilized by Li + and hydrogen bonding and Raman spectroscopy shows systematic redshifts in neptunyl vibrational modes relative to uranyl. DFT calculations highlight the importance of secondary coordination in reproducing vibrational and structural features, but challenges remain with correctly modeling strong sigma donors. Solid-state EPR spectroscopy and DFT confirm superoxide stabilization within LiU and calculations suggest favorability of the analogous radical species in LiNp. Solution state EPR spectroscopy with the radical spin trap 5-tert-butoxycarbonyl-5-methyl-1-pyrroline N-oxide (BMPO) reveal evidence of superoxide in the LiU and LiNp phases and suggests stabilization of superoxide within actinyl triperoxide complexes, forming [AnO 2 (O 2 ) 2 (O) 2 • ] 3- .

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Integration of Omics into a New Comprehensive Rate Law for Competitive Terminal Electron-Accepting Processes in Reactive Transport Models: Application to N, Fe, S, and Contaminant Transformations in Stream and Wetland Sediments

Surface waters represent important sources of alternate energy and drinking water in the United States, and characterizing the biogeochemical processes that affect surface water quality is relevant to the DOE-BER mission. Sediment biogeochemical processes regulate the release of carbon (C), nutrients, and contaminants to surface waters and thus influence water quality. Sediment biogeochemical processes are dynamic and affected by the deposition and remobilization of solid material and changes in environmental conditions driven by water discharge variations. Wetlands are important natural filters of surface waters which may either trap, metabolize, or mobilize nutrients and contaminants. Despite their importance, biogeochemical processes regulating nutrient and contaminant release and C transformation in stream and wetland sediments cannot be predicted accurately by current mathematical models. These reactive transport models largely rely on detectable changes in geochemical conditions to activate metabolic processes, do not accurately account for the competition between microbial processes, and poorly constrain effects of hydrological perturbations on biogeochemical processes. In this BER-SBR exploratory project, metagenomic and geochemical signatures were combined to identify microbially-mediated redox processes in anaerobic stream and wetland sediments from the Savannah River Site (SRS, ANL SFA) and East Fork Poplar Creek (EFPC, ORNL SFA) that play important roles in C, uranium (U), and mercury (Hg) transformations. In addition, sediment incubations were conducted to examine the competition between anaerobic respiration processes Finally, new rate laws were developed for reactive transport models that rely on complementary metagenomic and geochemical signatures to identify the underlying anaerobic microbial processes in stream and wetland sediments, describe the competition between the dominant metabolic processes involved in nutrient release and U and Hg mobilization, and more accurately quantify carbon transformation and the response of microbial processes to changes in redox conditions associated with hydrological forcing. These rate laws were optimized in batch reactors with SRS wetland sediments, where iron and sulfate reduction dominate. Anaerobic carbon remineralization processes followed the expected thermodynamic sequence of microbial respiration with depth in both sediments, except that geochemical signals indicated that sulfate reduction was inactive in EFPC sediments and moderate in SRS wetland sediments. Estimates indicated that microbial iron reduction contributed to at least half of the production of reduced iron in these sediments. Incubations demonstrated that nitrate reduction, denitrification, and dissimilatory nitrate reduction to ammonium were active in the natural EFPC sediment and activated upon nitrate amendment in these nitrate-rich sediments. In turn, these processes were outcompeted by the addition of either iron oxides or sulfate as alternative terminal electron acceptors. Although geochemical products of sulfate reduction were not detected in the incubations, the abundance of sulfate reduction genes increased with depth in the sediment and was equally more pronounced in treatments amended with either iron oxides or sulfate. Simultaneously, anaerobic sulfide oxidizing bacteria coupling sulfide oxidation to DNRA (and not conventional denitrification) were apparently enriched over time, regardless of the treatments. These findings indicate that sulfate reduction is important in freshwater stream sediments and probably catalyzed by a cryptic sulfur cycle involving nitrogen species, in which the sulfur products from sulfate reduction are immediately removed by side reactions and not detectable by geochemical measurements alone. Similar experiments in SRS sediments, however, demonstrated little interaction between nitrogen and sulfur cycling microorganisms. Sulfate reduction was impacted by the addition of more thermodynamically favorable electron acceptors, suggesting either that iron-reducing microorganisms outcompeted sulfate-reducing microorganisms for organic substrate, depleting the stock of electron donor available for sulfate reduction, or that the cryptic sulfur cycle was shunted by the precipitation of FeS generated as a result of the abiotic reduction of iron oxides by dissolved sulfide. A diagnostic modeling exercise was conducted to further investigate the competition between terminal electron accepting processes. As conventional kinetic models typically do not account for cryptic cycles and used inaccurate formulations to describe competition between microbial communities, new metabolic rate laws were developed that explicitly express the electron acceptor-specific enzyme of each energetically favorable metabolic process based on gene abundance detected in the incubations. The model was tested with the sediment slurry incubation data to determine whether substrate competition could explain the decrease in sulfate reduction observed in the presence of iron oxide competitor. The model was able to reproduce geochemical concentrations really well in each treatment once the model was calibrated with the unamended control, suggesting that microbial competition was indeed driven by thermodynamic considerations. Overall, carbon remineralization processes and rates will be reproduced much more realistically with the new metabolic rate laws.

54 ENVIRONMENTAL SCIENCES↗

129 I, 99 Tc, and U Distribution Coefficients of Subsurface Sediments Collected from the Proposed Site of the Environmental Management Disposal Facility

Performance Assessment calculations were completed in 2020 to evaluate the Environmental Management Disposal Facility (EMDF), a proposed new low-level radioactive waste (LLW) disposal facility on the U.S. Department of Energy’s Oak Ridge Reservation (ORR). Among the large number of input parameters needed for such calculations, are distribution coefficients (K d values; radionuclide concentration solid: liquid ratio) that provide a measure of the tendency of radionuclides to bind to sediments. The objective of this study was to measure K d values of three radionuclides that may pose a disproportionately large amount of risk, U, iodine-129 ( 129 I) and technetium-99 ( 99 Tc). The average 129 I K d value for the 14 geological materials recovered from the proposed EMDF site was 37.8 mL/g and ranged from 0.45 to 140.9 mL/g. These values were consistent, but somewhat larger than previous measurements made with ORR sediments and were about an order of magnitude greater than those used in previous EMDF PA calculations. The median 99 Tc K d value was 365.7 mL/g, much greater than previously reported using ORR geological materials. Five of the 14 tested geological materials sorbed large quantities of 99 Tc, suggesting that the weakly sorbing 99 Tc(VII) species had been reduced to the sparingly soluble 99 Tc(IV) species. The five strongly sorbing sediments had apparent 99 Tc solubility values of approximately <10 -8 mol/L. The median U K d value was 5,726 mL/g. All of the tested geological materials had large K d values, ranging from 625 to >10,208 mL/g. Among the sediment samples that exhibited strong U binding, the apparent solubility value was approximately <10 -9 mol/L. Based on sediment properties and general ORR geological considerations, it was proposed that much of the 129 I and 99 Tc retention could be attributed to the site materials exhibiting low pH (average pH = 4.94), and/or the elevated levels of iron oxides, manganese oxides, and natural organic matter. Similarly, the extremely high U binding measured in these sediments may also be attributed to the low conditions of carbonates, which can complex and therefore solubilize uranyl in these tests due to the low pH, and also the relatively high concentrations of iron and organic coatings on these samples. An implication of this study is that the areas of the EMDF subsurface environment may have natural properties for attenuating 129 I, 99 Tc, and U movement, and potentially other radionuclides, thereby possibly reducing risk posed by burial of LLW at this site.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

An Atomic-Scale Understanding of UO 2 Surface Evolution during Anoxic Dissolution

Our present understanding of surface dissolution of nuclear fuels such as uranium dioxide (UO 2 ) is limited by the use of non-local characterization techniques. In this paper, we discuss the use of state-of-the-art scanning transmission electron microscopy (STEM) to reveal atomic–scale changes occurring to UO 2 thin films subjected to anoxic dissolution in deionised water. No amorphisation of the UO 2 film surface during dissolution is observed, and dissolution occurs preferentially at surface reactive sites that present as surface pits which increase in size as the dissolution proceeds. Using a combination of STEM imaging modes, energy-dispersive X-ray spectroscopy (STEM-EDS), and electron energy loss spectroscopy (STEM-EELS), we investigate structural defects and oxygen passivation of the surface that originates from the filling of the octahedral interstitial site in the centre of the unit cells and its associated lattice contraction. Taken together, our results reveal complex pathways for both the dissolution and infiltration of solutions into UO 2 surfaces.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Neutronic analysis of a PWR-type SMR core using duplex ThO{sub 2}-UO{sub 2} in TRISO fuel particles

Currently, studies on small modular reactors (SMRs) present an important development due to the potential they represent in terms of safety, operational flexibility, economy, and non-energy applications. Furthermore, there is increasing interest in studying the use of thorium as fuel, as an effective way to solve problems such as the shortage of uranium reserves, reduction of nuclear waste and nuclear proliferation. Also, the use of thorium combined with highly enriched uranium TRISO particles has been studied, showing proper performance. In this work, the concept of ThO{sub 2}-UO{sub 2} duplex fuel is used, for the core configuration of a PWR type SMR that uses TRISO fuel, designed to achieve extended fuel cycles. Three distribution cases of ThO{sub 2} and UO{sub 2} in TRISO particles inside the fuel rods are compared. First, particles composed by a homogeneous mixture of ThO{sub 2} and UO{sub 2} are distributed inside of fuel elements. Second, the fuel zone of the fuel elements is divided into two radially, an internal one where the TRISO particles composed of ThO{sub 2} are distributed and the external one where the TRISO particles composed of UO{sub 2} are distributed. The third case is like the previous one, except that the particles that contain UO{sub 2} are distributed in the inner zone and those that contain ThO{sub 2} in the outer zone of the fuel elements. The comparison of the cases is carried out in terms of cycle main isotopes' mass transmutation, power distribution and temperature reactivity coefficients. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Investigation of a U(IV)/U(III) Thermodynamic Reference Electrode for High-Temperature Molten Fluoride Salts

While thermodynamic reference electrodes with known and stable potentials are common in traditional aqueous systems, the high temperature and corrosive environment of a molten fluoride salt makes achieving long term stability with a thermodynamic reference electrode challenging, especially at temperatures of 600°C or higher. In this work, a thermodynamic reference electrode consisting of U(IV)/U(III) in a boron nitride compartment was evaluated for use in FLiBe at temperatures ≥ 600°C. FLiBe used in the study was purified by AlphaTech's proprietary process and characterized by ICP-MS and square wave voltammetry. The free oxide concentration was <2 ppm. Using the purified FLiBe, the U(IV)/U(III) thermodynamic reference electrode was shown to provide a stable, well-defined, and reproducible potential for more than 600+ hours of use in different tests. Moreover, the thermodynamic reference electrode showed a consistent potential with no signs of failure, even after being cooled between tests and then reheated for reuse. Thus, the U(IV)/U(III) reference electrode is suitable for use in rigorous electrochemical studies in molten fluoride salts. As a result, it may be useful as a common standard, facilitating the advancement of nuclear applications such as isotope separation or online monitoring of reactor systems through improved certainty in the measurement of thermodynamic potentials.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗