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DOE OSTI2025

Active microrheology and dynamic phases for pattern-forming systems with competing interactions

We consider the driven dynamics of a probe particle moving through an assembly of particles with competing long-range repulsive and short-range attractive interactions, which form crystal, stripe, labyrinth, and bubble states as the ratio of attraction to repulsion is varied. We show that the probe particle exhibits a depinning-like threshold from an elastic regime, where the probe particle is trapped by interactions with the other particles, to a plastic flow regime, where the probe particle can break bonds in the surrounding medium. For a fixed particle density, the depinning threshold and sliding velocity of the probe particle vary nonmonotonically as the attraction term is increased. A velocity minimum appears near the crystal to stripe crossover, and there is a significant increase in the depinning threshold in the bubble regime when the probe particle is strongly confined inside the bubbles. For fixed attractive interaction but increasing particle density, the behavior is also nonmonotonic, and there are jumps and drops in the velocity and depinning threshold corresponding to points at which the system transitions between different structures. There are also several distinct flow states that can be characterized by the amount of plastic deformation induced by the probe particle in the surrounding medium. Each flow state generates a different amount of effective drag on the probe particle, and there can be jumps in the velocity-force curve at transitions between the states. In conclusion, we also find that when oriented stripes are present, the probe particle can move along the stripe in an edge transport state that has a finite Hall angle.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Observation of the $γγ → ττ$ Process in $\mathrm{Pb + Pb}$ Collisions and Constraints on the $\tau$-Lepton Anomalous Magnetic Moment with the ATLAS Detector

This Letter reports the observation of τ-lepton pair production in ultraperipheral lead-lead collisions, Pb+Pb→Pb(γγ→ττ)Pb, and constraints on the τ-lepton anomalous magnetic moment, a τ . The dataset corresponds to an integrated luminosity of 1.44 nb -1 of LHC Pb+Pb collisions at $\sqrt{s_{NN}}$ =5.02 TeV recorded by the ATLAS experiment in 2018. Selected events contain one muon from a τ-lepton decay, an electron or charged-particle track(s) from the other τ-lepton decay, little additional central-detector activity, and no forward neutrons. The γγ→ττ process is observed in Pb+Pb collisions with a significance exceeding 5 standard deviations, and a signal strength of μ ττ =1.03$^{+0.06}_{-0.05}$ assuming the Standard Model value for a τ . To measure a τ , a template fit to the muon transverse-momentum distribution from τ-lepton candidates is performed, using a dimuon (γγ→μμ) control sample to constrain systematic uncertainties. The observed 95% confidence-level interval for aτ is -0.057 < a τ < 0.024.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Grain boundary engineering for efficient and durable electrocatalysis

Grain boundaries in noble metal catalysts have been identified as critical sites for enhancing catalytic activity in electrochemical reactions such as the oxygen reduction reaction. However, conventional methods to modify grain boundary density often alter particle size, shape, and morphology, obscuring the specific role of grain boundaries in catalytic performance. This study addresses these challenges by employing gold nanoparticle assemblies to control grain boundary density through the manipulation of nanoparticle collision frequency during synthesis. We demonstrate a direct correlation between increased grain boundary density and enhanced two-electron oxygen reduction reaction activity, achieving a significant improvement in both specific and mass activity. Additionally, the gold nanoparticle assemblies with high grain boundary density exhibit remarkable electrochemical stability, attributed to boron segregation at the grain boundaries, which prevents structural degradation. This work provides a promising strategy for optimizing the activity, selectivity, and stability of noble metal catalysts through precise grain boundary engineering.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Activation estimates of the RHIC beam dump

In anticipation of the expiration of the RHIC ASE in December 2025 and the need to demonstrate compliance with nuclear facility rule (10CFR830), this study quantifies the radionuclide inventory and respective activity at the beam dumps by simulating a period of five years of operation using conservative assumptions. Simulations were performed with the Monte Carlo particle transport and interaction code FLUKA and its dosimetry results were compared with measured dose rate data, showing good agreement. The beam dump was deemed to constitute the main hotspot of residual radiation and also representative of a worst case scenario in terms of induced activation. The activation levels calculated indicate that the RHIC tunnel will be well below the thresholds of a DOE’s category-3 nuclear facility classification.

43 PARTICLE ACCELERATORS↗

DOE OSTI2022

Collaborative Research: Explosive reconnection in relativistic magnetically-dominated plasmas

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

Understanding of Active Sites and Interconversion of Pd and PdO during CH 4 Oxidation

Pd-based catalysts are widely used in the oxidation of CH 4 and have a significant impact on global warming. However, understanding their active sites remains controversial, because interconversion between Pd and PdO occurs consecutively during the reaction. Understanding the intrinsic active sites under reaction conditions is critical for developing highly active and selective catalysts. In this study, we demonstrated that partially oxidized palladium (PdO x ) on the surface plays an important role for CH 4 oxidation. Regardless of whether the initial state of Pd corresponds to oxides or metallic clusters, the topmost surface is PdO x , which is formed during CH4 oxidation. A quantitative analysis using CO titration, diffuse reflectance infrared Fourier-transform spectroscopy, X-ray diffraction, and scanning transmission electron microscopy demonstrated that a surface PdO layer was formed on top of the metallic Pd clusters during the CH 4 oxidation reaction. Furthermore, the time-on-stream test of CH 4 oxidation revealed that the presence of the PdO layer on top of the metallic Pd clusters improves the catalytic activity. Our periodic density functional theory (DFT) calculations with a PdO x slab and nanoparticle models aided the elucidation of the structure of the experimental PdO particles, as well as the experimental C-O bands. The DFT results also revealed the formation of a PdO layer on the metallic Pd clusters. This study helps achieve a fundamental understanding of the active sites of Pd and PdO for CH 4 oxidation and provides insights into the development of active and durable Pd-based catalysts through molecular-level design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Collaborative Research: Explosive reconnection in relativistic magnetically-dominated plasmas (Final Report)

Magnetic fields can be the dominant component of astrophysical plasmas, so that the magnetic energy density might exceed even the rest-mass energy density of matter. In this extreme (and largely unexplored) regime the magnetic field controls the overall plasma evolution, dissipation, and acceleration of non-thermal particles. This plasma regime, applicable to a variety of astrophysical sources - magnetars, pulsars and pulsar wind nebulae (PWNe), jets of Active Galactic Nuclei (AGNs) and Gamma-Ray Bursters (GRBs) - is dramatically different from laboratory plasmas, the magnetospheres of planets, and the interplanetary plasma. Relativistic astrophysical sources then provide an unique opportunity to study the fundamental plasma physics of magnetically-dominated plasmas; a novel and fast-evolving field of theoretical research which, by investigating energy conversion and particle energization processes in plasmas, is of vital importance to the Fusion Energy Sciences DoE program. Data coming from astrophysical high-energy missions, especially the Crab Nebula flares recently observed by the Fermi and AGILE satellites, suggest that the acceleration of non-thermal particles to the highest energies occurs in magnetic reconnection events - a major change of paradigm in high-energy astrophysics. Most importantly, observations demand that particle acceleration should proceed extremely fast (with accelerating electric field of the order of the magnetic field) and on macroscopic scales (much larger, e.g., than the microscopic plasma skin depth). We are conducting studies of the microphysics of magnetically-dominated plasmas focussing in particular on the highly dynamic regime of explosive reconnection and associated particle acceleration in relativistic plasmas. We are studying the stability and explosive plasma dynamics, particle acceleration and radiation production in a number of idealized plasma configurations that approximate relevant astrophysical sources (like the magnetic ABC structures and interacting flux tubes, as well as generalizations of analytical models of X-point collapse to relativistic plasmas). The well-studied case of the Crab Nebula is taken as a prototypical example for the application of the model. We are combining analytical studies of explosive magnetic dynamics and dissipation in relativistic plasmas with particle-in-cell (PIC) simulations and fluid simulations. The theoretical model, fluid and particle-in-cell simulations are cross-checked for agreement and convergence.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Measuring Signatures of Fuel Irradiation in Large Particle Samples

Understanding the operating history of a nuclear facility is one of the key goals in nuclear safeguards, enabling the verification of declared activities. This is accomplished via a number of mechanisms, including the analysis of samples collected at the facility. The best metrics for understanding and verifying the history of nuclear fuel are (1) actinide isotopic content and (2) actinide inter-element ratios. While techniques have long existed for measuring these values with high accuracy and precision in bulk samples, as samples become smaller – such as may be collected in environmental collection – new methods are required both for clean processing of pure samples, and for analysis of these small samples. This study describes a new extraction chromatography technique for recovering U, Pu, and Am from single small aliquots, and advanced mass spectrometry methods for high-precision and high-accuracy analysis of trace and ultra-trace levels of actinides. These techniques are applied to particle samples cut from fuel from a historic nuclear reactor. Ages calculated from Pu–Am chronometry of particles are in excellent agreement with the known operating history of the reactor.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

A prototype scintillator real‐time beam monitor for ultra‐high dose rate radiotherapy

Background: FLASH Radiotherapy (RT) is an emergent cancer RT modality where an entire therapeutic dose is delivered at more than 1000 times higher dose rate than conventional RT. For clinical trials to be conducted safely, a precise and fast beam monitor that can generate out-of-tolerance beam interrupts is required. This paper describes the overall concept and provides results from a prototype ultra-fast, scintillator-based beam monitor for both proton and electron beam FLASH applications. Purpose: A FLASH Beam Scintillator Monitor (FBSM) is being developed that employs a novel proprietary scintillator material. The FBSM has capabilities that conventional RT detector technologies are unable to simultaneously provide: (1) large area coverage; (2) a low mass profile; (3) a linear response over a broad dynamic range; (4) radiation hardness; (5) real-time analysis to provide an IEC-compliant fast beam-interrupt signal based on true two-dimensional beam imaging, radiation dosimetry and excellent spatial resolution. Methods: The FBSM uses a proprietary low mass, less than 0.5 mm water equivalent, non-hygroscopic, radiation tolerant scintillator material (designated HM: hybrid material) that is viewed by high frame rate CMOS cameras. Folded optics using mirrors enable a thin monitor profile of ∼10 cm. A field programmable gate array (FPGA) data acquisition system generates real-time analysis on a time scale appropriate to the FLASH RT beam modality: 100–1000 Hz for pulsed electrons and 10–20 kHz for quasi-continuous scanning proton pencil beams. An ion beam monitor served as the initial development platform for this work and was tested in low energy heavy-ion beams ( 86 Kr +26 and protons). A prototype FBSM was fabricated and then tested in various radiation beams that included FLASH level dose per pulse electron beams, and a hospital RT clinic with electron beams. Results: Results presented in this report include image quality, response linearity, radiation hardness, spatial resolution, and real-time data processing. Furthermore, the HM scintillator was found to be highly radiation damage resistant. It exhibited a small 0.025%/kGy signal decrease from a 216 kGy cumulative dose resulting from continuous exposure for 15 min at a FLASH compatible dose rate of 237 Gy/s. Measurements of the signal amplitude versus beam fluence demonstrate linear response of the FBSM at FLASH compatible dose rates of >40 Gy/s. Comparison with commercial Gafchromic film indicates that the FBSM produces a high resolution 2D beam image and can reproduce a nearly identical beam profile, including primary beam tails. The spatial resolution was measured at 35–40 µm. Tests of the firmware beta version show successful operation at 20 000 Hz frame rate or 50 µs/frame, where the real-time analysis of the beam parameters is achieved in less than 1 µs. Conclusions: The FBSM is designed to provide real-time beam profile monitoring over a large active area without significantly degrading the beam quality. A prototype device has been staged in particle beams at currents of single particles up to FLASH level dose rates, using both continuous ion beams and pulsed electron beams. Using a novel scintillator, beam profiling has been demonstrated for currents extending from single particles to 10 nA currents. Radiation damage is minimal and even under FLASH conditions would require ≥50 kGy of accumulated exposure in a single spot to result in a 1% decrease in signal output. Beam imaging is comparable to radiochromic films, and provides immediate images without hours of processing. Real-time data processing, taking less than 50 µs (combined data transfer and analysis times), has been implemented in firmware for 20 kHz frame rates for continuous proton beams.

2D beam imaging↗

DOE OSTI2026

Migration of Al within dealuminated beta extruded catalysts influences olefin distribution during ethanol upgrading

Zeolites serve as essential catalytic platforms for many industrial processes, including emerging ethanol-to-olefins (ETO) upgrading technologies. Although metal-loaded (Cu, Zn, Y) dealuminated beta (deAlBeta) zeolite powders are promising catalysts for direct ETO conversion with high selectivity to butene-rich C3+ olefins necessary for production of sustainable aviation fuels (SAF), development of these materials as shaped technical bodies through the incorporation of binders is required for scale-up and commercial viability. Here, we report the ethanol upgrading performance of Cu-Zn-Y/deAlBeta extruded catalysts formulated with either alumina or kaolin clay binders. Both extrudates exhibit high ethanol dehydration reactivity which competes with the initial ethanol dehydrogenation step in the direct ETO reaction network. Consequently, elevated selectivity to dehydration side products (ethylene, diethyl ether) at ∼100% ethanol conversion is observed on Cu-Zn-Y/deAlBeta extrudates compared to the powder catalyst, which inhibits production of desired C3+ olefins. Utilizing microscopy and spectroscopic characterizations, we attribute this to Al migration from binder to zeolite particles within the extrudates, thus re-aluminating the zeolite and generating Brønsted acid sites active for dehydration reactions. This work elucidates the effects of binder incorporation on ETO product distributions and emphasizes that binder selection must be carefully considered during design of extruded zeolite catalysts.

Jacobs, Hunter [ORNL] (ORCID:000000016190874X)↗

DOE OSTI2023

Lithium promotion of Pt/m-ZrO 2 catalysts for low temperature water-gas shift

Low temperature water-gas shift (LTS) is an important reaction occurring in a fuel processor for producing and purifying hydrogen. Platinum supported on m-ZrO 2 belongs to a family of catalysts consisting of metal nanoparticles and an active partially reducible oxide, with the catalysis proposed to occur at the boundary between metal particles and the support. In this investigation, increasing the loading of lithium dopant increased the LTS rate up to 0.54 wt % lithium, where conversion was 2.4 times that of the unpromoted catalyst at 260°C. Further increases in lithium loading up to 1.5 wt % decreased the rate, although it remained higher than that of the unpromoted catalyst. Infrared spectroscopy and CO 2 temperature programmed desorption experiments showed three effects with increasing lithium loading: (1) lithium promoter weakened the C–H bond of formate, the proposed rate limiting step of the interfacial surface formate mechanism; (2) high levels of lithium suppressed the platinum site capacity required for hydrogen transfer; and (3) high levels of lithium increased catalyst basicity. Aspects (2) and (3) tended to inhibit desorption of product CO 2 , an acidic molecule the removal of which is metal-catalyzed. XANES and XPS experiments revealed that electron transfer to enrich Pt nanoparticles is unlikely the root cause of C–H bond weakening in formate. However, other electronic effects (e.g., electrostatic effects or molecular rearrangement due to enhanced basicity) were not ruled out.

08 HYDROGEN↗

DOE OSTI2025

Vanadium-enhanced Na 2 FePO 4 F cathodes for high-performance sodium-ion batteries

Sodium fluorophosphate Na 2 FePO 4 F holds great potential for sodium-ion batteries due to its high theoretical capacity, excellent structural stability, abundant resources, and affordability. However, its poor electronic and ionic conductivities limit its practical applications. Therefore, ion doping and carbon coating have been employed as synergistic strategies in this study to overcome these limitations. A one-step, energy-efficient solid-state method using sucrose as a carbon coating source was used to synthesize Na 2 FePO 4 F/C (NFPF/C) and its doped variant, Na 2 Fe 0.85 V 0.1 PO 4 F/C (NFVPF/C). 23 Na-MAS-NMR spectra confirm the existence of two distinct sites for sodium (Na1/Na2). The ex-situ 23 Na-MAS-NMR performed at different states-of-charge reveals the activity of only one sodium. The scanning electron microscopy findings reveal a reduction in the particle size with V-introduction, enhancing the energetic performances. NFVPF/C delivers higher specific capacity of 122 mAh g −1 compared to 116 mAh g −1 for NFPF/C at 0.1C. It also demonstrates improved cycling stability, retaining 81 % of its initial capacity after 120 cycles, in contrast to 46 % for the pristine material. The doped phase outperforms the pristine at higher current rates, delivering specific capacities of 81 and 55 mAh g −1 at 2C and 3C, respectively, compared to 35 and 17 mAh g −1 for NFPF/C.

25 ENERGY STORAGE↗

DOE OSTI2025

Exploring Atomic-Scale Interactions at the Interface of Reducible Oxide and Ruthenium Nanocatalyst for Ammonia Decomposition

Restructuring atomic-scale interfaces between noble metal nanoparticles and metal oxides provides a promising approach to enhancing catalytic properties. In this study, Ru nanoparticles were supported on CeO 2 , ZrO 2 , and HfO 2 via pyrolysis of MOFs under oxygen-suppressed high-temperature conditions. Despite its nearly ideal particle size (∼2.3 nm), the Ru–CeO 2 /C catalyst exhibited the lowest ammonia decomposition activity. X-ray absorption spectroscopy and DFT calculations revealed that electron transfer from Ru to CeO 2 formed positively charged Ru and partially reduced Ce 4+ , weakening the catalytic performance. In contrast, oxygen-deficient ZrO 2 and HfO 2 support donated electrons to Ru, preserving its metallic state. These findings demonstrate that the reducibility of oxide supports governs the direction and magnitude of interfacial charge transfer, directly tuning catalytic behavior. This study provides insights into the design of oxide-supported Ru catalysts for ammonia decomposition.

Catalysts↗

DOE OSTI2023

Spontaneous shock waves in pulse-stimulated flocks of Quincke rollers

Active matter demonstrates complex spatiotemporal self-organization not accessible at equilibrium and the emergence of collective behavior. Fluids comprised of microscopic Quincke rollers represent a popular realization of synthetic active matter. Temporal activity modulations, realized by modulated external electric fields, represent an effective tool to expand the variety of accessible dynamic states in active ensembles. Here, we report on the emergence of shockwave patterns composed of coherently moving particles energized by a pulsed electric field. The shockwaves emerge spontaneously and move faster than the average particle speed. Combining experiments, theory, and simulations, we demonstrate that the shockwaves originate from intermittent spontaneous vortex cores due to a vortex meandering instability. They occur when the rollers’ translational and rotational decoherence times, regulated by the electric pulse durations, become comparable. The phenomenon does not rely on the presence of confinement, and multiple shock waves continuously arise and vanish in the system.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Revealing multiscale competing processes in the solid-state synthesis of single-crystalline layered oxide positive electrodes

Solid-state synthesis involves a web of coupled chemical reactions and physical changes that unfold across multiple scales. Efforts to fine-tune its parameters have historically followed heuristic, trial-driven workflows that demand significant time and resources. In this study, we aimed to open this black box by employing multiscale in situ synchrotron imaging and diffraction. Using LiNi 0.5 Mn 0.3 Co 0.2 O 2 battery positive electrode material as a model system and Ba-based sintering aids, we reveal dopant segregation, intergranular mass transport, and porosity evolution as key drivers of single-crystalline particle formation. Notably, we uncovered a dynamic competition between particle-level grain coalescence and atomic-scale cation disordering, both of which are thermally activated yet have opposing impacts on battery performance. These findings highlight the coupled, multiscale nature of structure development and offer a mechanistic basis for optimizing the solid-state synthesis process. This framework provides a path toward more controlled, efficient, and scalable production of high-performance battery positive electrode materials.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Neutrinoless double beta decay sensitivity of the XLZD rare event observatory

The XLZD collaboration is developing a two-phase xenon time projection chamber with an active mass of 60–80 t capable of probing the remaining weakly interacting massive particle-nucleon interaction parameter space down to the so-called neutrino fog. In this work we show that, based on the performance of currently operating detectors using the same technology and a realistic reduction of radioactivity in detector materials, such an experiment will also be able to competitively search for neutrinoless double beta decay in 136 Xe using a natural-abundance xenon target. XLZD can reach a 3σ discovery potential half-life of 5.7 × 10 27 years (and a 90% CL exclusion of 1.3 × 10 28 years) with 10 years of data taking, corresponding to a Majorana mass range of 7.3–31.3 meV (4.8–20.5 meV). XLZD will thus exclude the inverted neutrino mass ordering parameter space and will start to probe the normal ordering region for most of the nuclear matrix elements commonly considered by the community.

2-phase xenon TPCs↗

DOE OSTI2024

Validation of prediction capability of operating space for plasma initiation in MAST-U

DYON is a plasma initiation modelling code that solves the differential equation system of the full circuit equations (plasma current, active coil currents and eddy currents in full passive structures) and 0D global energy and particle balance equations (Kim 2022 Nucl. Fusion 62 126012). In order to test the capability of the full electromagnetic plasma initiation model to predict individual discharges in experiments and thus the operating space in the device, a dedicated experimental database was built in MAST-U by scanning the prefilled gas pressure p 0 and the induced loop voltage V loop . In the experimental operating space of p 0 and V loop the lower and the upper limits of p 0 are determined by the plasma breakdown failure and the plasma burn-through failure, respectively. The lower limit of V loop is determined by the plasma burn-through failure. By directly reading the control room data used in each discharge (i.e. currents in the solenoid, poloidal field coils, and toroidal field coils, p 0 , and gas puffing rate), the full electromagnetic DYON consistently predicted the failed breakdown, failed burn-through, and successful plasma initiation discharges in the experimental database, demonstrating its capability to predict the operating space for inductive plasma initiation. The Paschen curve calculated with the effective connection length in MAST-U indicates a much higher p 0 required for plasma breakdown than the experimental data, indicating that individual field line evaluation is necessary to calculate the quantitative requirements for Townsend breakdown. The demonstration in this paper shows that the full electromagnetic DYON could be a useful simulation tool to assess the feasibility of inductive plasma initiation and to optimise operating scenarios in future devices.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2026

A reactive ferroelectric tuner for microphonics compensation

Jefferson Lab (JLab) is actively pursuing an extensive research program focused on developing advanced Nb₃Sn superconducting technology for particle accel-eration. Due to the brittle nature of Nb₃Sn coatings, a Ferroelectric Tuner (FRT) currently represents the most viable approach for microphonics compensation in these next-generation cavities. We suggest a novel, fast-responding FRT integrated directly into the main coupler, eliminating the need for an additional RF port. Leveraging a unique RF design based on a magic-T configuration, this advanced FRT will enable micro-phonics compensation in the ±30 Hz range without undesirable changes to the external quality factor.

Accelerator Physics↗