Chemical imaging and diffusion of hydrogen and lithium in lithium aluminate
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Jiang, Weilin (ORCID:0000000183028313)↗
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Preliminary study on pressure brazing and diffusion welding of Nb-1Zr to Inconel 718
Future space power systems may include Nb-1Zr/Inconel 718 dissimilar metal joints for operation at 1000 K for 60,000 h. The serviceability of pressure-brazed and diffusion-welded joints was investigated. Ni-based metallic glass foil filler metals were used for brazing. Ni and Fe foils were used as diffusion welding inter-layers. Joint soundness was determined by metallographic examination in the as-brazed and as-welded condition, after aging at 1000 K, and after thermal cycling. Brazed joints thermally cycled in the as-brazed condition and diffusion-welded joints were unsatisfactory because of cracking problems. Brazed joints may meet the service requirements if the joints are aged at 1000 K prior to thermal cycling.
Moore, T. J.↗
Surface Self-Diffusion Induced Sintering of Nanoparticles
Despite the critical role of sintering phenomena in constraining the long-term durability of nanosized particles, a clear understanding of nanoparticle sintering has remained elusive due to the challenges in atomically tracking the neck initiation and discerning different mechanisms. Through the integration of in situ transmission electron microscopy and atomistic modeling, this study uncovers the atomic dynamics governing the neck initiation of Pt–Fe nanoparticles via a surface self-diffusion process, allowing for coalescence without significant particle movement. Real-time imaging reveals that thermally activated surface morphology changes in individual nanoparticles induce significant surface self-diffusion. Further, the kinetic entrapment of self-diffusing atoms in the gaps between closely spaced nanoparticles leads to the nucleation and growth of atomic layers for neck formation. This surface self-diffusion-driven sintering process is activated at a relatively lower temperature compared to the classic Ostwald ripening and particle migration and coalescence processes. The fundamental insights have practical implications for manipulating the morphology, size distribution, and stability of nanostructures by leveraging surface self-diffusion processes.
36 MATERIALS SCIENCE↗
Simulations of self- and Xe diffusivity in uranium mononitride including chemistry and irradiation effects
A combination of density functional theory and empirical potential atomic scale simulations have been used to determine a model for defect stability and mobility in uranium mononitride (UN), as a function of temperature (T) and N 2 partial pressure (p N 2 ). Using the model, predictions of hypo-stoichiometry under U-rich conditions compare favorably to CALPHAD calculations using the TAF-ID database. Furthermore, our predictions of U and N self-diffusivity are in good agreement with experiments carried out as a function of T at specific partial pressures under thermal equilibrium. The validated atomic scale data have then been implemented within a cluster dynamics method to simulate irradiation-enhanced defect concentrations. All defects and clusters studied have significantly enhanced concentrations, with respect to thermal equilibrium, as T is lowered. The irradiation-enhanced Xe diffusivity is compared to post-irradiation annealing and in-pile experiments. In conclusion, the contributions of various defects and clusters to non-stoichiometry, self-diffusivity, and Xe diffusivity are discussed.
38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
Kinetics of thermal donor generation in silicon
The generation kinetics of thermal donors at 450 C in Czochralski-grown silicon was found to be altered by high-temperature preannealing (e.g., 1100 C for 30 min). Thus, when compared with as-grown Si, high-temperature preannealed material exhibits a smaller concentration of generated thermal donors and a faster thermal donor saturation. A unified mechanism of nucleation and oxygen diffusion-controlled growth (based on solid-state plate transformation theory) is proposed to account for generation kinetics of thermal donors at 450 C, in as-grown and high-temperature preannealed Czochralski silicon crystals. This mechanism is consistent with the main features of the models which have been proposed to explain the formation of oxygen thermal donors in silicon.
Mao, B.-Y.↗
Thermodynamic properties and diffusion of water + methane binary mixtures
Thermodynamic and diffusion properties of water + methane mixtures in a single liquid phase are studied using NVT molecular dynamics. An extensive comparison is reported for the thermal pressure coefficient, compressibilities, expansion coefficients, heat capacities, Joule-Thomson coefficient, zero frequency speed of sound, and diffusion coefficient at methane concentrations up to 15% in the temperature range of 298–650 K. The simulations reveal a complex concentration dependence of the thermodynamic properties of water + methane mixtures. The compressibilities, heat capacities, and diffusion coefficients decrease with increasing methane concentration, whereas values of the thermal expansion coefficients and speed of sound increase. Increasing methane concentration considerably retards the self-diffusion of both water and methane in the mixture. These effects are caused by changes in hydrogen bond network, solvation shell structure, and dynamics of water molecules induced by the solvation of methane at constant volume conditions.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Robust Dissimilar Metal Friction Welded Spool for Enhanced Capability for Steam Power Components (Final Program Report)
This project successfully demonstrated the feasibility and advantages of producing durable, friction-welded dissimilar-metal spools, both with and without transition pieces, as well as the use of advanced oxidation-protective coatings for steam power applications. The work encompassed the optimization and full-scale production of NFA tubing, overcoming manufacturing and processing challenges to achieve enhanced strength, creep, and fatigue properties validated by extensive microstructural characterization. Optimized welding techniques were developed and refined for joining dissimilar materials, resulting in defect-free welds optimized for both low- and high-pressure boiler circuits. Systematic evaluation of welding parameters, coupled with heat treatments, ensured reliable performance and minimized weld defects such as banding and cracking. Comprehensive mechanical and non-destructive testing, including tensile, bend, fatigue, and CT scanning, confirmed the superior integrity and durability of the friction-welded joints under representative service conditions. To address oxidation-related degradation, a range of protective alloy coatings—such as IN625, APMT, Duplex 2507, and FeCrAlY—were selected and evaluated for their ability to counteract oxide notch formation at dissimilar metal interfaces. These coatings demonstrated improved oxidation resistance and long-term stability under thermal cycling, thereby extending weld service life. Thermal cyclic testing and long-term studies captured the phase stability and diffusion behavior of coated and uncoated configurations. Validated models for low-cycle fatigue (LCF), creep, and thermal mechanical fatigue (TMF) were developed to predict component life and failure modes. These models confirmed that friction-welded configurations exhibited significantly enhanced performance compared to conventional gas-tungsten arc welding (GTAW), with up to 7× improvement in creep resistance and at least 2× enhancement in fatigue properties. The introduction of a tailored transition piece further reduced thermally induced strains, enhancing fatigue life. The results demonstrate a robust pathway for retrofitting existing steam fleet components and upgrading future equipment to deliver substantially improved cold-start cycling behavior and reduction of unplanned outages due to premature weld failures.
11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
Creating Favorable Pt/Co Interfaces via a Two‐Step Approach for Constructing Highly Durable PtCo Intermetallic Fuel Cell Catalysts
Structurally ordered PtCo intermetallics are one of the most promising oxygen-reduction catalysts in proton exchange membrane fuel cells (PEMFCs) due to their intrinsically improved catalytic activity and stability relative to PtCo solid-solution alloys. However, increasing the heating temperature to achieve a desirable high degree of ordering results in severe particle agglomeration and low mass activity and stability. Herein, a two-step synthesis approach is developed to create an L1 2 -Pt 3 Co intermetallic structure with an increased ordering degree and well-dispersed ultrafine particles. The first step of the synthesis yields ultrafine Pt nanoparticles that are well-dispersed on the ZIF-8-derived carbon support. The second adsorption step enables us to fine-tune the Pt and Co interfaces, assisted by optimal amino acids, to establish a favorable Co-rich environment around fine Pt nanoparticles, facilitating Co diffusion into the Pt crystalline under mild thermal conditions (<800 °C). In conclusion, this two-step ordered L1 2 -Pt 3 Co catalyst is systematically evaluated using membrane electrode assemblies under heavy-duty vehicle (HDV) conditions and demonstrated exceptional performance and durability, retaining 1.35 A cm -2 only a 7% loss in current density at 0.7 V after an extensive accelerated stress test of 150,000 voltage cycles.
30 DIRECT ENERGY CONVERSION↗
Amorphization kinetics in strontium titanate at 16 and 300 K under argon ion irradiation
Here, the accumulation of irradiation-induced disorder in SrTiO 3 single crystals irradiated at 16 K with 200 keV Ar ions has been investigated using Rutherford backscattering spectrometry along the < 100 > channeling direction and compared with previous results obtained at 300 K under identical irradiation conditions. As expected, amorphization at 16 K occurs at a much lower fluence than at 300 K due to dynamic recovery of irradiation-induced defects at 300 K. Utilizing a comprehensive damage accumulation model for analysis of the data, irradiation at 16 K results only in the formation of point defects and amorphous pockets, while defect clusters are also formed at 300 K. High defect mobility under irradiation at 300 K tends to promote recombination and clustering of point defects. These results suggest that defect diffusion processes in SrTiO 3 are not thermally active at 16 K.
36 MATERIALS SCIENCE↗
Aluminum Ion Beam Treatment of Zirconium Ceramics
The paper presents the radiation and thermal treatment of zirconium ceramics with high-energy Al ion beams generated at an accelerating voltage of 1.5 kV, which modifies the structure and electrophysical properties of zirconium ceramics. Compact powder and ceramic samples are used for the radiation and thermal treatment performed at 1123–1173 K. The surface treatment of compact powders leads to the increase in the grain size, whereas the surface of ceramic samples turns black and electrically conductive in depth. This is because the change in the oxygen stoichiometry of zirconium ceramics. Air annealing of treated ceramics returns the sample to the initial state. The phase composition, microhardness and density of ceramic samples display no changes after the radiation and thermal treatment. Under the experimental conditions, the diffusion of aluminum ions in the surface layer is not observed. It is found that the ion beam treatment leads to the decrease in aluminum-containing impurity in the surface layers of zirconium ceramics.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Polymer electrolytes based on protic ionic liquids with perfluorinated anions for safe lithium-ion batteries
Here, the quest for safe and high-performance polymer electrolytes in lithium-ion batteries (LIBs) has led researchers to explore protic ionic liquids (PILs) as potential candidates to be entrapped in polymer matrices. In this context, we present an investigation into solid polymeric systems based on poly(methyl methacrylate) (PMMA) as a host for PILs, featuring 1,8-diazabicyclo-[5,4,0]-undec-7-ene (DBU) cation paired with three different anions: bis(trifluoromethanesulfonyl)imide (TFSI – ), trifluoromethanesulfonate (TFO – ), and (trifluoromethanesulfonyl-nonafluorobutylsulfonyl)imide (IM14 – ). Additionally, we explore the lithium-doped IM14-gel-like system to broaden our understanding of these intriguing materials. Through comprehensive thermal analysis, solid-state NMR, and diffusion NMR techniques, we delve into the interactions and structural features of these binary and ternary polymeric systems. Our investigation reveals unique dynamics and ion interactions within the PMMA matrix, shedding light on the potential of these materials for advanced energy storage technologies. Particularly, we highlight the distinctive features of DBUH-IM14 and its specific interaction with the polymeric matrix and the lithium ions, underscoring its significance in advancing safer and more efficient energy storage devices.
25 ENERGY STORAGE↗
Understanding the E balance for water management in hydroxide exchange membrane fuel cells
As a key challenge for hydroxide exchange membrane fuel cells (HEMFCs), understanding water management deeply is critical for performance and durability improvement. Here, in this work, we show that the balance between water generation and phase-change-induced (PCI) flow is the main factor controlling cell voltage over a wide range of conditions where the cells are vulnerable to severe flooding. The regulation of flooding by heat generation can be reflected by a stable voltage with increase of current density in the polarization curve. This PCI balance voltage (E balance ), which determines the shape of polarization curve, is modeled as a function of cell operating conditions and gas diffusion layer (GDL) properties. Temperature, pressure, and thermal conductivity of GDL were found important for tuning the level of E balance , both in HEMFCs and proton exchange membrane fuel cells. The understanding of E balance will help to generate strategies for resolving flooding in HEMFCs, and it offers a new perspective for polarization curve interpretation.
25 ENERGY STORAGE↗
Synthesis of WO{sub 3} nanoparticles by citric acid-assisted precipitation and evaluation of their photocatalytic properties
Graphical abstract: Display Omitted Highlights: ► WO{sub 3} nanoparticles were synthesized by a simple citric acid-assisted precipitation. ► WO{sub 3} photocatalyst was able to the partial mineralization of rhB, IC and MO. ► WO{sub 3} can be considered as a photocatalyst active under visible light irradiation. -- Abstract: WO{sub 3} nanoparticles were synthesized by citric acid-assisted precipitation method using a 1:1.5 molar ratio of ammonium paratungstate hydrate (H{sub 42}N{sub 10}O{sub 42}W{sub 12}·xH{sub 2}O):citric acid (C{sub 6}H{sub 8}O{sub 7}). The formation of monoclinic crystal structure of WO{sub 3} at different temperatures was confirmed by X-ray powder diffraction (XRD). The characterization of the samples synthesized was complemented by transmission electron microscopy (TEM), Brunauer–Emmitt–Teller surface area (BET) and diffuse reflectance spectroscopy (DRS). According to the thermal treatment followed during the synthesis of WO{sub 3}, the morphology of the nanoparticles formed was characterized by rectangular and ovoid shapes. The photocatalytic activity of WO{sub 3} obtained under different experimental conditions was evaluated in the degradation of rhodamine B (rhB), indigo carmine (IC), methyl orange (MO), and Congo red (CR) in aqueous solution under UV and UV–vis radiation. The highest photocatalytic activity was observed in the sample obtained by thermal treatment at 700 °C. In general, the sequence of degradation of the organic dyes was: indigo carmine (IC) > rhodamine B (rhB) > methyl orange (MO) > Congo red (CR). The mineralization degree of organic dyes by WO{sub 3} photocatalysts was determined by total organic carbon analysis (TOC) reaching percentages of mineralization of 82% (rhB), 85% (IC), 28% (MO), and 7% (CR) for 96 h of lamp irradiation.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Thermal evolution of defects in undoped zinc oxide grown by pulsed laser deposition
Undoped ZnO films are grown by pulsed laser deposition on c-plane sapphire with different oxygen pressures. Thermal evolutions of defects in the ZnO films are studied by secondary ion mass spectroscopy (SIMS), Raman spectroscopy, and positron annihilation spectroscopy (PAS), and with the electrical properties characterized by the room temperature Hall measurement. Oxygen deficient defect related Raman lines 560 cm{sup −1} and 584 cm{sup −1} are identified and their origins are discussed. Thermal annealing induces extensive Zn out-diffusion at the ZnO/sapphire interface and leaves out Zn-vacancy in the ZnO film. Two types of Zn-vacancy related defects with different microstructures are identified in the films. One of them dominates in the samples grown without oxygen. Annealing the sample grown without oxygen or growing the samples in oxygen would favor the Zn-vacancy with another microstructure, and this Zn-vacancy defect persists after 1100 °C annealing.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Complete characterization by Raman spectroscopy of the structural properties of thin hydrogenated diamond-like carbon films exposed to rapid thermal annealing
We have demonstrated that multi-wavelength Raman and photoluminescence spectroscopies are sufficient to completely characterize the structural properties of ultra-thin hydrogenated diamond-like carbon (DLC:H) films subjected to rapid thermal annealing (RTA, 1 s up to 659 °C) and to resolve the structural differences between films grown by plasma-enhanced chemical vapor deposition, facing target sputtering and filtered cathodic vacuum arc with minute variations in values of mass density, hydrogen content, and sp³ fraction. In order to distinguish unequivocally between films prepared with different density, thickness, and RTA treatment, a new method for analysis of Raman spectra was invented. This newly developed analysis method consisted of plotting the position of the Raman G band of carbon versus its full width at half maximum. Moreover, we studied the passivation of non-radiative recombination centers during RTA by performing measurements of the increase in photoluminescence in conjunction with the analysis of DLC:H networks simulated by molecular dynamics. The results show that dangling bond passivation is primarily a consequence of thermally-induced sp² clustering rather than hydrogen diffusion in the film.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Ohmic contacts to nitrogen-incorporated n-type ultrananocrystalline diamond film grown on intrinsic single crystal diamond substrate
Nitrogen-incorporated ultrananocrystalline diamond (n-UNCD) films offer tremendous potential for diverse electronic applications. However, the absence of a reliable Ohmic contact at room temperature limits their practical integration and broader applicability. Here, in this study, we investigate the room temperature specific contact resistivity (ρ c ) of Ti/Pt/Au metal stack deposited on n-UNCD films grown on an intrinsic single crystal diamond substrate using a microwave plasma chemical vapor deposition system. We employ a circular transfer length model (c-TLM) and find the room temperature ρ c to be ∼4.67 × 10 −5 Ω cm 2 , which is among the lowest reported value for n-UNCD films. High temperature vacuum annealing conducted at 700 and 800 °C results in an initial improvement, followed by a minor degradation in ρ c values, respectively. The electrical contacts remain highly Ohmic for all measurements. Furthermore, cross-sectional transmission electron microscopy analysis suggests formation of conductive titanium carbide layer with no significant inter metallic diffusion. Overall, the electrical contacts demonstrate robust thermal stability, both of which are critical for attaining high-performance nanocrystalline diamond-based electronic devices.
Low resistance contacts↗
Plasma instabilities dominate radioactive transients magnetic fields: the self-confinement of leptons in Type Ia and core-collapse supernovae, and kilonovae
The light curves of radioactive transients, such as supernovae and kilonovae, are powered by the decay of radioisotopes, which release high-energy leptons through $\beta ^+$ and $\beta ^-$ decays. These leptons deposit energy into the expanding ejecta. As the ejecta density decreases during expansion, the plasma becomes collisionless, with particle motion governed by electromagnetic forces. In such environments, strong or turbulent magnetic fields are thought to confine particles, though the origin of these fields and the confinement mechanism have remained unclear. Using fully kinetic particle-in-cell (PIC) simulations, we demonstrate that plasma instabilities can naturally confine high-energy leptons. These leptons generate magnetic fields through plasma streaming instabilities, even in the absence of pre-existing fields. The self-generated magnetic fields slow lepton diffusion, enabling confinement, and transferring energy to thermal electrons and ions. Our results naturally explain the positron trapping inferred from late-time observations of thermonuclear and core-collapse supernovae. Furthermore, they suggest potential implications for electron dynamics in the ejecta of kilonovae. We also estimate synchrotron radio luminosities from positrons for Type Ia supernovae and find that such emission could only be detectable with next-generation radio observatories from a Galactic or local-group supernova in an environment without any circumstellar material.
instabilities↗
Assembly of Rabbit Capsules for Irradiation of Pyrolytic Carbon / Silicon Carbide Diffusion Couples in the High Flux Isotope Reactor
Tristructural isotropic (TRISO)–coated particle fuel is a promising advanced fuel concept being considered for several advanced reactor applications and for accident-tolerant fuel for light water reactors. One of the aspects studied in the development of this advanced fuel concept is the release of specific fission products (Ag, Eu, and Sr). The silicon carbide (SiC) layer of TRISO fuel serves as the primary barrier to metallic fission products and actinides not retained in the fuel kernel. The goal of this project is to evaluate the effect of irradiation on the diffusion of these fission products in the SiC layer of the fuel. For this purpose, rabbit capsules containing small slab diffusion couple specimens have been assembled to be irradiated in the High Flux Isotope Reactor (HFIR). The diffusion couple specimens have been fabricated using similar processes and equipment as those used to make TRISO particles; the desired fission products have been implanted in the specimens using an ion accelerator. Moreover, the effect of temperature on the fission products diffusion will be studied separately by performing thermal experiments in the absence of irradiation. This report describes the irradiation experiment design concept, summarizes the irradiation test matrix, and reports on the successful assembly of two rabbit capsules that will be irradiated in the HFIR.
11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
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