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At least 469 records · Page 26

Transient fuel performance analysis for the preliminary fuel concept of general atomics fast modular reactor

This study investigates the transient fuel performance of General Atomics Fast Modular Reactor (GA-FMR) during accident scenarios, focusing on the behavior of its innovative fuel system that combines high-assay low enriched uranium dioxide (HALEUO2) fuel with SiGA® ceramic matrix composite silicon carbide cladding. The preliminary fuel design’s response was analyzed during reactivity-initiated accidents (RIA) and loss of coolant accidents (LOCA) using BISON fuel performance analysis code, which included both the diffusion enhanced and BISON-FASTGRASS coupled UO 2 models. The RIA analysis demonstrated that effective reactivity control reduced fuel temperature, though with transient fission gas release resulting in additional tensile stress state on the cladding. LOCA simulations revealed differing predictions between the two models: the BISON UO 2 model showed more transient fission gas release but minimal pellet expansion, while the BISON-FASTGRASS UO 2 model predicted less pronounced fission gas release but more fuel swelling and thermal expansion, potentially leading to pellet-cladding mechanical interaction. Here, these findings highlight critical areas for fuel design optimization and identify knowledge gaps requiring further experimental and computational investigation to advance GA-FMR fuel development.

Lee, Soon K. [Argonne National Laboratory (ANL), A↗

ROADRUNNER uranium nitride MiniFuel: Experimental design, fabrication and pre-irradiation baseline characterization for accelerated burnup testing

Uranium nitride (UN) is a promising fuel candidate for advanced reactor systems owing to its high uranium density and thermal conductivity; however, its qualification remains constrained by the scarcity of well-controlled irradiation performance data. Here, to address this limitation, the ROADRUNNER (Research On ADvancing the peRformance of UraNium Nitrides in Extreme enviRonments) campaign employs the MiniFuel platform in the High Flux Isotope Reactor (HFIR) to enable accelerated burnup irradiation testing under tightly controlled and largely isothermal conditions. This paper presents the experimental design, fuel fabrication, and pre-irradiation baseline characterization of the ROADRUNNER UN MiniFuel campaign. Thirty-six UN minidisc specimens were fabricated with systematically varied as-fabricated density (86–96% of theoretical density), carbon impurity content (961–5240 ppm), oxygen content (≤ ∼2000 ppm), and grain size (2.5–24 μm). The irradiation matrix spans nominal fuel temperatures of 873 K, 1173 K, and 1473 K and target burnups of 3.75%, 6.0%, and 7.5% fissions per initial metal atom (FIMA). Neutronic and thermal analyses were performed to define specimen-specific burnup accumulation and temperature histories, establishing the boundary conditions for subsequent in-pile behavior. Comprehensive pre-irradiation characterization—including dimensional metrology, density verification, impurity analysis, X-ray diffraction, Raman spectroscopy, scanning electron microscopy, X-ray computed tomography, and confocal profilometry—provides a detailed baseline for post-irradiation examination. Pre-irradiation data were further used to generate predictive estimates of fission gas release and swelling using existing empirical correlations. This quantitative comparison reveals substantial inter-model divergence at intermediate and elevated temperatures that exceeds propagated input uncertainties, highlighting structural gaps in the historical irradiation database. The ROADRUNNER irradiation campaign is currently underway in HFIR, with initial firs cycle completed in late 2025 and remaining targets scheduled through 2027. The experimental design and baseline dataset presented here establish the framework needed to interpret forthcoming post-irradiation measurements and to provide discriminating data for the validation and refinement of physics-based UN fuel performance models.

Lopes, Denise Adorno [Oak Ridge National Laborator↗

An approach to grid-to-rod fretting wear modeling using dynamic mortar contact

This article presents the development of a grid-to-rod fretting (GTRF) modeling methodology that utilizes dynamic mortar contact. Here, we leverage a recently developed computational framework for modeling thermomechanical contact in dynamic simulations from the nuclear fuel performance code Bison. Usage of mortar contact ensures a smooth distribution of normal and frictional contact forces, displacements, and velocities on the contact interface, thus facilitating an accurate computation of wear. The integration within an advanced nuclear fuel performance code enables analysis of complex interactions between the fuel, cladding, and spacer grid. Such interactions include swelling, creep, fuel fragmentation, burnup, plenum pressure, and fission gas release. Our methodology is demonstrated via the modeling of two spacer grid geometries and the influence of fuel-cladding mechanical contact on the generation of fretting wear.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Design of a first-of-A-kind instrumented advanced test reactor irradiation Capsule experiment for In situ thermal conductivity measurements of metallic fuel

Metallic fuel undergoes dramatic microstructural changes early in life due to fission gas swelling until ~2–3 at% burnup which affects the conductivity of the material, however the evolution of metallic fuel thermal conductivity during this early phase burnup has never been successfully measured in situ. The Irradiated Material Properties Accelerated Characterization Test (IMPACT) experiment will be the first in a series of experiments to irradiate advanced nuclear metallic fuel specimens with novel embedded thermal conductivity probes in ATR. In the current work the IMPACT experiment final design and supporting analysis is reported in detail. Results are evaluated for various reactor operational conditions to meet the functional requirements of the experiment. Finally, the first iteration of this IMPACT experiment will provide data regarding thermal properties evolution in uranium-zirconium (U10Zr) fuel, but this experiment vehicle is envisioned for future advanced fuels and structural materials irradiations in ATR.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

3D printed polymer gaskets for custom-form batteries

Additive manufacturing (AM) processes, like 3D printing, help to facilitate complex and customizable battery geometries which can provide design freedom and enhance volumetric energy density within electronic devices. AM materials must have the thermal and mechanical properties that enable printability, and when used in batteries, AM materials must also be chemically and electrochemically compatible with the battery chemistry. The compatibility between AM materials and the battery is of particular importance for the cell packaging materials which must be inert and are often overlooked. This study systematically studies AM-compatible polymeric materials for use as gaskets in lithium-ion cells. The materials investigated include three thermoplastics suitable for material extrusion printing: polylactic acid (PLA), polycarbonate, and polypropylene/polyethylene copolymer (PPPEC); and two photoresins suitable for vat photopolymerization (VPP) printing: an acrylate-based photoresin and a polyethylene glycol diacrylate photoresin. The AM gasket materials were tested in comparison to a conventional commercial polypropylene gasket. Mechanical testing (swell measurements and material stiffness) and electrochemical testing (linear sweep voltammetry and galvanostatic cycling of full cells) demonstrated that PLA and the VPP polymers were the least compatible with the lithium-ion battery chemistry, despite their prevalent use in studies of AM batteries, and that PPPEC was the most compatible.

3D printing↗

Wave climate and energy resources in American Samoa from a 42-year high-resolution hindcast

Here, this paper presents an analysis of the wave climate and a characterization of the wave energy resources in American Samoa, a U.S. territory covering seven south central Pacific islands and atolls. A numerical wave model based on WAVEWATCH III® and unstructured SWAN was developed, validated, and executed for 1979–2020 to generate a hindcast dataset suitable for resource characterization. Model-data comparisons were performed with measurements collected in situ and from satellite-based altimeters. The model was found to perform well with a bias in significant wave height of -0.14 m and -0.06 m against buoy and altimeters, respectively. The multimodal sea state of American Samoa is investigated by identifying the sources of energy reaching the islands and partitioning the wave spectrum accordingly. The wave resources characterization follows the International Electrotechnical Commission Technical Specifications to be compatible with studies performed for other U.S. regions. The average omnidirectional wave power at 2 km from shore around Tutuila, the main island of American Samoa, is 14 kW/m. Locations east and west of the islands have a more consistent resource throughout the year because the northwest and southwest swells that are dominant during different seasons complement each other.

16 TIDAL AND WAVE POWER↗

Wave climate and energy resources in the Mariana Islands from a 42-year high-resolution hindcast

We report a high-resolution wave hindcast from 1979 to 2020 was developed for Guam and the Commonwealth of the Northern Mariana Islands, which are influenced by mesoscale and synoptic weather systems from the western Pacific Rim to the Central Pacific. The spectral wave modeling utilized structured global and unstructured regional grids with improved resolution in nearshore waters, where wave resources development is most feasible. The hindcast demonstrates its capability in capturing multi-modal seas through reproduction of bulk and partitioned wave parameters derived from altimetry and buoy measurements. The local wave climate is influenced by the year-round trade winds and tropical cyclones as well as seasonal monsoons, frontal systems, and mid-latitude high- and low-pressure systems. The strong intra-annual variation of the significant wave height and power flux reflects transitions between local and distant weather systems, which account for the diverse wave conditions comprised of short-period wind waves, intermediate-period seas, and long-period swells around the islands. Among the Pacific island regions, spectral partitioning is particularly important for describing the dominant wave components by period and direction with pertinent information conducive to energy resources characterization and coastal zone management in the Mariana Islands.

16 TIDAL AND WAVE POWER↗

Impact of krypton irradiation on a single crystal tungsten: Multi-modal X-ray imaging study

Understanding microstructural and strain evolutions induced by noble gas production in the nuclear fuel matrix or plasma-facing materials is crucial for designing next generation nuclear reactors, as they are responsible for volumetric swelling and catastrophic failure. In this paper we describe a multimodal approach combining synchrotron-based nanoscale X-ray imaging techniques with atomic-scale electron microscopy techniques for mapping chemical composition, morphology and lattice distortion in a single crystal W induced by Kr irradiation. We report that Kr-irradiated single crystal W undergoes surface deformation, forming Kr containing cavities. Furthermore, positive strain fields are observed in Kr-irradiated regions, which lead to compression of underlying W matrix.

36 MATERIALS SCIENCE↗

Self-assembly of solid nanoclusters in molybdenum under gas ion implantation

The self-assembly of defects in materials could create unique physical and chemical properties. In nuclear fuels, the formation of self-assembled fission products mitigates fission-gas-release and swelling. In this work, we report the formation of a solid nanocluster superlattice in molybdenum, an important constituent in metallic fuels, under krypton gas ion implantation. X-ray absorption near edge structure measurements coupled with density functional theory calculations show that the pressure of krypton nanoclusters in molybdenum is ~2 GPa and molecular dynamic simulations reveal that the krypton atoms are solid in the nanoclusters with a krypton-to-vacancy ratio of ~0.28 at 300 K.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Helium partitioning to the core-shelled Ta nanoclusters in nanocrystalline Cu-Ta alloy

In this work, a nanocrystalline (NC) Cu-10at.%Ta alloy is irradiated with helium at different temperatures to assess the stability and effectiveness of Ta nanoclusters in trapping helium and suppressing swelling. Advanced microstructural characterization of the room-temperature irradiated specimens indicated the presence of small He-bubbles (∼1-2 nm) at the peak damage depth mainly at the core and along the interface of Ta nanoclusters with Cu matrix. Few bubbles were found along grain boundaries, with much smaller bubbles homogenously distributed within the copper lattice. High-temperature irradiation exhibited bubbles of ∼3-5 nm, which were primarily associated with nanoclusters as compared to other locations, with no observed faceting of the bubbles. In conclusion, atom probe analysis confirmed helium partitioning to the Ta nanoclusters indicating the effective entrapment of these He atoms.

36 MATERIALS SCIENCE↗

Fabrication of nanoporous doped metal oxide coatings via selective infiltration of a block copolymer template: The case of Al-doped zinc oxide

Conductive nanoporous conformal coatings are important for various applications including touchscreens, displays, and electrochromic windows, though design of such coating with controlled porosity and composition remains challenging. We propose a sequential infiltration synthesis (SIS) method for the fabrication of nanoporous conductive aluminum-doped zinc oxide (AZO) films by infiltrating block copolymer (BCP) templates, specifically polystyrene-block-polyvinyl pyridine (PS-b-P4VP), with diethyl zinc and trimethyl aluminum precursors. Tunability of both porosity and electrical conductivity is achieved by precisely controlling the swelling behavior of the polymer templates and adjusting the number of SIS cycles. Further, our results reveal that porosity levels can reach up to 80 %, with resistivity as low as ~7.83 Ωcm. Using conductive atomic force microscopy (C-AFM) and Hall effect measurements, we show that lower concentrations of aluminum doping relative to zinc (around 1: 17) results in higher conductivity of the AZO films. Additionally, AZO is based on zinc oxide (ZnO) which is cost-efficient, abundant and less toxic than commonly used transparent conductive oxides such as indium tin oxide (ITO) and fluorine-doped tin oxide (FTO). Therefore, this novel approach opens new possibilities for creating highly porous, conformal, conductive AZO coatings with customizable porosity and composition, making them ideal candidates for diverse optoelectronic applications.

36 MATERIALS SCIENCE↗

Drop-in sustainable aviation fuels enabled by feedstock-agnostic lignin deoxygenation

Current sustainable aviation fuels (SAFs) require blending with petroleum-derived fuels due to incomplete hydrocarbon distributions, most notably a lack of aromatics. Lignin, the most abundant renewable source of aromatics, is a promising feedstock for addressing this limitation. Here, we demonstrate a sequential reductive catalytic fractionation and continuous hydrodeoxygenation process that converts multiple woody feedstocks into aromatic hydrocarbons at up to 93% of the theoretical carbon yield. Blending these products with commercial SAFs produces drop-in compatible fuels with elastomer swell performances equivalent to conventional aviation fuels. The process is adaptable across multiple biomass sources, yielding aromatic hydrocarbons with consistent enthalpic efficiencies and fuel properties. These findings establish a scalable route to 100% drop-in SAFs, leveraging lignin-derived aromatics within the existing biofuels infrastructure.

09 BIOMASS FUELS↗

Chemistry and Dynamics of Supercritical Carbon Dioxide and Methane in the Slit Pores of Layered Silicates

In the mid 2010s, high-pressure diffraction and spectroscopic tools opened a window into the molecular-scale behavior of fluids at the conditions of many CO 2 sequestration and shale/tight gas reservoirs - conditions where CO 2 and CH 4 are present as variably wet supercritical fluids. Integrating high-pressure spectroscopy and diffraction with molecular modeling has revealed much about the ways that supercritical CO 2 and CH 4 behave in reservoir components, particularly in the slit-shaped micro- and meso-pores of layered silicates (phyllosilicates) abundant in caprocks and shales. This Account summarizes how supercritical CO 2 and CH 4 behave in the slit pores of swelling phyllosilicates as functions of the H 2 O activity, framework structural features, and charge-balancing cation properties at 90 bar and 323 K – conditions similar to a reservoir at ~1 km depth. Slit pores containing cations with large radii, low hydration energy, and large polarizability readily interact with CO 2 , allowing CO 2 and H 2 O to adsorb and co-exist in these interlayer pores over a wide range of fluid humidities. In contrast, cations with small radii, high hydration energy, and low polarizability weakly interact with CO 2 leading to reduced CO 2 uptake and a tendency to exclude CO 2 from interlayers when H 2 O is abundant. The reorientation dynamics of confined CO 2 depends on the interlayer pore height, which is strongly influenced by the cation properties, framework properties, and fluid humidity. The silicate structural framework also influences CO 2 uptake and behavior - for example, smectites with increasing F-for-OH substitution in the framework take up greater quantities of CO 2 . Reactions that trap CO 2 in carbonate phases have been observed in thin H 2 O films near smectite surfaces, including a dissolution-reprecipitation mechanism when the edge surface area is high and an ion exchange-precipitation mechanism when the interlayer cation can form a highly insoluble carbonate. In contrast, supercritical CH 4 does not readily associate with cations, does not react with smectites, and is only incorporated into interlayer slit mesopores when (i) the pore has a $z$-dimension large enough to accommodate CH 4 , (ii) the smectite has low charge and (iii) the H 2 O activity is low. In conclusion, the adsorption and displacement of CH 4 by CO 2 and vice-versa have been studied on the molecular scale in one shale, but opportunities remain to examine behavioral details in this more complicated, slit-pore inclusive system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Controlling Drug Absorption, Release, and Erosion of Photopatterned Protein Engineered Hydrogels

A protein-engineered triblock copolymer hydrogel composed of two self-assembling domains (SADs) has been fabricated by a photoactivatable diazirine group followed by ultraviolet (UV)-mediated crosslinking. The photocrosslinkable protein polymer CEC-D has been patterned into various features including different micrometer-scale stripes by using lithographic techniques. The patterned hydrogels are important for encapsulation of small molecules where a photopatterned fraction of 50% is optimal for maximum absorption. Stripe-patterned CEC-D 100–100 exhibits slightly lower swelling ratios, an 8.9 times lower erosion profile, and a 2.6-fold higher drug release compared to the unpatterned hydrogel control, CEC-D0. Our studies demonstrate the potential of photocrosslinkable protein polymer hydrogels to be used as scaffolds for therapeutic delivery of small molecules. Furthermore, through photolithographic techniques on the protein hydrogel, a variety of functionalities can be achieved by patterning different features enabling the mimicry of biological systems.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Resonant X-ray Diffraction Reveals the Location of Counterions in Doped Organic Mixed Ionic Conductors

Organic mixed ionic–electronic conductors (OMIECs) have the potential to enable diverse new technologies, ranging from novel in situ biosensors to flexible energy storage devices and neuromorphic computing platforms. However, their complex behavior in functional films involving electrolyte-induced swelling, ion ingress, and electrochemical doping inhibits rational material design. Of critical importance is an understanding of the specific location of the ions in the volumetrically doped material, yet this information is not readily available. Here, in this report, we present the use of grazing- incidence resonant X-ray diffraction (RXRD, also known as anomalous diffraction) at S and Cl K-edges to determine the structure of a doped, prototypical, semicrystalline polymer OMIEC based on oligo(ethylene glycol) substitution of regioregular polythiophene. The RXRD measurement provides two key insights. Quantitative analysis of the RXRD allows the determination of the position of the ion relative to the polymer backbone in the crystalline regions. We find that the anion is relatively distant from the backbone, nearer to the lamella mid-plane naively in conflict with expected Coulombic attraction between the ion and the doped polymer polaron. Comparison of RXRD to Cl – fluorescence (total Cl – ) allows determination of the relative order of doping between the crystalline and amorphous regions. We find preferential doping of the crystalline regions. Both insights, the preferential doping of crystals at low potential and the specific location of the counterion with respect to the polymer backbone, are critical to developing a microscopic understanding of transport in OMIECs.

36 MATERIALS SCIENCE↗

Exploring the Role of Inorganic and Organic Interfaces on CO 2 and CH 4 Partitioning: Case Study of Silica, Illite, Calcite, and Kerogen Nanopores on Gas Adsorption and Nanoscale Transport Behaviors

The adsorption, partitioning, and diffusion of CO 2 and CH 4 in organic–inorganic pores composed of kerogen with silica, illite, or calcite are studied using density functional theory and classical molecular dynamics simulations. The adsorption and partitioning behavior of CO 2 and CH 4 molecules is found to be a function of chemistry of the solid interface, pore size, and surface area. CO 2 molecules are preferentially adsorbed compared to CH 4 molecules on silica, illite, calcite, and kerogen surfaces due to significant contributions of electrostatic interactions with the atoms of the associated surfaces. CO 2 and CH 4 molecules display higher adsorption energy on calcite and silica compared to those on illite and kerogen because of enhanced interactions with the positively charged calcium ions on the calcite surface and the hydroxyl group (-OH) on the silica surface. Enhanced internal nanopores and the availability of adsorption active sites in illite and kerogen matrices aid in higher partitioning of the gas molecules into these pores. CO 2 has a significant influence on the clustering and swelling of kerogen fragments compared to CH 4 . Higher CO 2 adsorption on inorganic and kerogen surfaces results in lower overall self-diffusivities compared to CH 4 . This study illustrates surface and pore size controls on the adsorption, partitioning, and self-diffusivities of CO 2 and CH 4 at conditions relevant for subsurface energy applications. The chemistry of the surfaces along with the availability of internal pores and active adsorption sites influences the adsorption behavior of gases. Our results suggest that CO 2 stored in depleted gas reservoirs may preferentially inhabit nanoconfined pores.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Reactivity of CO 2 with Utica, Marcellus, Barnett, and Eagle Ford Shales and Impact on Permeability

We report that in order to reduce greenhouse gas emissions while recovering hydrocarbons from unconventional shale formations, processes that make use of carbon dioxide to enhance oil recovery while storing carbon dioxide (CO 2 ) should be considered. Here, we examine samples from three shale basins across the United States (Utica and Marcellus Shales in the Appalachian Basin, Barnett Shale in the Bend Arch-Ft. Worth Basin, and Eagle Ford in the Western Gulf Basin) to address the following questions: (1) do changes from reaction with CO 2 and fluids at the micrometer and nanometer scale alter flow pathways and, in turn, impact hydrocarbon production, CO 2 storage, and seal integrity and (2) can CO 2 or fluid reactivity be predicted based on physical or chemical properties of shale formations? Experiments were conducted at 40 °C and 10.3 MPa to characterize the interaction between CO 2 and shale using X-ray diffraction (XRD), carbon and sulfur analysis, in situ Fourier transform infrared spectroscopy (FT-IR), feature relocation scanning electron microscopy coupled with energy-dispersive spectroscopy (SEM-EDS), mercury (Hg) intrusion porosimetry, and Brunauer-Emmett-Teller (BET) surface area and pore size analysis coupled with density functional theory (DFT) methods. Changes in mechanical, physical, and flow properties of shale cores due to CO 2 exposure were addressed using a New England Research Autolab 1500 and Xenon X-ray computed tomography (CT) scanning. Results showed that CO 2 did not promote significant reactivity with the shale if water was not present; only shales with swelling clays or residual interstitial pore water reacted with dry CO 2 to promote reactivity in shale. When water was added as a reactant, CO 2 formed carbonic acid and reacted with the shale to dissolve carbonate pockets, etched and pitted the shale matrix surfaces, and increased the microporosity and decreased nanoporosity. Porosity and permeability increased appreciably in core shale samples after exposure to CO 2 saturated fluid due to dissolution of carbonate. Shale mechanical properties were not altered. Trends were not observed that could tie CO 2 or fluid reactivity to physical or chemical properties of the shale formations at the basin scale from the samples we examined. However, if the shale contained significant amounts of carbonate and water was available to react with the CO 2 , pore sizes were altered in the matrix and permeability and porosity increased.

04 OIL SHALES AND TAR SANDS↗

The [M 6 (S 2 C 2 Ph 2 ) 6 ] (M = Ni, Pd, Pt) Series: Multielectron Reservoirs That Sustain Ligand-Based Oxidations and Metal-Based Reductions

A complete [M 6 (S 2 C 2 R 2 ) 6 ] series (M = Ni (1), Pd (2), Pt (3); R = Ph), the rarest variety among homoleptic dithiolene transition-metal compounds, has been prepared by reaction between [M(S 2 C 2 Ph 2 ) 2 ] and a M 0 source. The platinum member of this set is the first of its type. Diffraction-quality crystals, grown with high reproducibility by evaporation from PhNO 2 solutions, reveal fully reduced [Ph 2 C 2 S 2 ] 2– dianions and an octahedral M 6 core that is reduced to C 2 symmetry by the fusion of a mononuclear D 2h [M(S 2 C 2 Ph 2 ) 2 ] fragment upon a C 4 -symmetric base. The [Ni 6 (S 2 C 2 Ph 2 ) 2 ] 1– monoanion, prepared by Cp* 2 Co reduction, shows only modest structural differences from its neutral counterpart. In CH 2 Cl 2 , 1 and 2 can undergo two reductions and an oxidation, while 3 sustains two reductions and two oxidations. In benzonitrile, 1 sustains three reversible oxidations at potentials that are shifted appreciably to less positive values. The cathodic processes are shown by density functional theory (DFT) calculations to involve an MO largely of metal–sulfur composition that has contributions throughout the C 4 -symmetric pentametallic base of the assembly, while the oxidations are largely ligand-based and confined to the monometallic [M(S 2 C 2 Ph 2 ) 2 ] cap. The absorption spectra are marked by multiple overlapping bands that produce a continuous, tapering absorption profile of unresolved shoulders and swells.

Ligands↗