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At least 955 records · Page 53

Rapid scalable plasma processing of thin-film Li–La–Zr–O solid-state electrolytes

Solid-state electrolytes, such as lithium lanthanum zirconium oxide (LLZO), show promise as technologies for next-generation high-energy-density batteries, but commercial development has been hindered by a lack of scalable processing methods. Current fabrication methods are costly or require long annealing steps to create dense films. We report an atmospheric pressure blown-arc nitrogen plasma jet process to rapidly form sub-micrometer-thick, dense amorphous LLZO (a-LLZO) films from sol-gel precursors. Films are processed in less than 2 min, an order of magnitude faster than what has previously been reported. We demonstrate 500-nm-thick a-LLZO films processed at 350°C with an ionic conductivity of 2 × 10 −6 S/cm at 30°C and 2 × 10 −3 S/cm at 100°C and a conductance of 19 S at 100°C, the highest conductance of any LLZO phase to date. Here, the films exhibit outstanding smooth surface morphology with low defectivity, advancing atmospheric plasma processing as a scalable processing method for solid-state electrolytes.

25 ENERGY STORAGE

Femtosecond two-photon-resonant parametric four-wave mixing detection of atomic hydrogen

Here, we demonstrate an ultrafast parametric four-wave mixing method for the collisional-quenching-free detection of atomic hydrogen. Two photons of 243 nm light resonantly excite the n = 1 to n = 2 transition of atomic hydrogen, and a third probe photon scatters from the electronic coherence to generate the parametric emission of a degenerate signal photon. Laser-induced photofragmentation fluorescence from water, also excited with the same 243 nm pulses, is used as a convenient method to visualize beam overlap in space and time. The femtosecond time resolution enables the suppression of unwanted nonresonant contributions to the signal and separation from resonant mixing in water molecules because of the significantly different coherence lifetimes. A folded BOXCARS phase-matching configuration yields a spatially isolated, laser-like, signal beam, amenable to measurements in highly luminous backgrounds. Measurements in an H 2 /CH 4 /air flame demonstrate quantitative agreement with simulated H-atom concentration profiles. A coherence decay time constant of 42 ps is recorded in the atmospheric pressure flame.

Kliewer, Christopher Jesse [Sandia National Labora

A combined experimental and machine learning exploration of Ti 2-x Zr x MnCrFeNi high entropy Laves hydrides

A series of high entropy AB 2 -type Ti 2-x Zr x MnCrFeNi alloys (x = 0.6, 0.7, 0.8, 0.9, 1.0, 1.1 and 1.2) were synthesized to investigate their potential for hydrogen storage and chemical compression. The influence of the Ti/Zr ratio was explored in terms of structural, microstructural and thermodynamic properties. The storage capacity together with the reaction enthalpy and entropy changes of the synthesized high entropy alloys were compared to predictions from Machine Learning (ML) to investigate changes in these properties across the explored composition space. The results revealed that a decreasing Zr content consistently lowered the hydride formation enthalpy and increased the plateau pressure from 8 to >90 bar H 2 at 25 °C, in good agreement with ML predictions. Selected compositions (x = 1.0 and 1.2) demonstrated reversible hydrogen storage capability over 150 cycles, with capacities of 1.34–1.40 wt % H 2 and remarkable reaction kinetics (<4 min) at ambient temperature. These experimental and computational findings highlight the potential of this Laves-HEA system as tuneable, stable, and cost-effective materials suitable for long-term operations in stationary hydrogen storage and compression applications.

36 MATERIALS SCIENCE

An Internal Digital Image Correlation Technique for High-Strain Rate Dynamic Experiments

Full-field, quantitative visualization techniques, such as digital image correlation (DIC), have unlocked vast opportunities for experimental mechanics. However, DIC has traditionally been a surface measurement technique, and has not been extended to perform measurements on the interior of specimens for dynamic, full-scale laboratory experiments. This limitation restricts the scope of physics which can be investigated through DIC measurements, especially in the context of heterogeneous materials. The focus of this study is to develop a method for performing internal DIC measurements in dynamic experiments. The aim is to demonstrate its feasibility and accuracy across a range of stresses (up to 650 MPa), strain rates (10 3 - 10 6 s -1 ), and high-strain rate loading conditions (e.g., ramped and shock wave loading). Internal DIC is developed based on the concept of applying a speckle pattern at an inner-plane of a transparent specimen. The high-speed imaging configuration is coupled to the traditional dynamic experimental setups, and is focused on the internal speckle pattern. During the experiment, while the sample deforms dynamically, in-plane, two-dimensional deformations are measured via correlation of the internal speckle pattern. In this study, the viability and accuracy of the internal DIC technique is demonstrated for split-Hopkinson (Kolsky) pressure bar (SHPB) and plate impact experiments. The internal DIC experimental technique is successfully demonstrated in both the SHPB and plate impact experiments. In the SHPB setting, the accuracy of the technique is excellent throughout the deformation regime, with measurement noise of approximately 0.2% strain. In the case of plate impact experiments, the technique performs well, with error and measurement noise of 1% strain. The internal DIC technique has been developed and demonstrated to work well for full-scale dynamic high-strain rate and shock laboratory experiments, and the accuracy is quantified. Here, the technique can aid in investigating the physics and mechanics of the dynamic behavior of materials, including local deformation fields around dynamically loaded material heterogeneities.

36 MATERIALS SCIENCE

Breakdown and Discharge Characteristics of High Repetition Frequency Nanosecond Pulsed Air Dielectric Barrier Discharge

This study explores the breakdown characteristics and discharge modes in a parallel plate air dielectric barrier discharge system using repetitive nanosecond pulses, with pulse repetition frequencies (PRFs) from 0.1 to 100 kHz. It examines how pulse parameters—PRF, pulse number and gas pressure—affect the memory effect, leveraging current and voltage measurements, fast imaging and optical emission spectroscopy. The findings show that higher PRFs lead to a reduction in breakdown voltage well below the streamer breakdown threshold. We argue that this effect may be attributed to the cumulative buildup of metastable species and negative ions in the discharge gap which could sustain free electrons in‐between the voltage pulses. Despite observing increased energy deposition with higher PRFs, the impact on filament formation was minimal, highlighting a strong dependence of discharge morphology on the accumulation of plasma‐produced species. This research studies provides valuable insights for controlling discharge regimes in applications such as plasma‐assisted combustion, surface treatment and air treatment by clarifying the interactions between discharge mechanisms at different PRFs and pressures.

42 ENGINEERING

Risk assessment of wellbore leakage during underground hydrogen storage

The expansion of renewable energy sources would require large-scale energy storage options to overcome the intermittent nature of these sources. Underground hydrogen storage (UHS) in depleted hydrocarbon reservoirs offers a scalable and practical energy storage solution. These reservoirs are chosen for their availability and large capacity, but the unique properties of hydrogen raise concerns about potential leakage pathways, particularly through wellbores. In this study, we develop and apply, for the first time, reduced-order models (ROMs) specifically designed for efficient leakage risk prediction in UHS systems operating in depleted hydrocarbon reservoirs. Using 3,000 high-fidelity simulation scenarios, we examine the influence of 11 key parameters, including reservoir and aquifer depths, wellbore permeability and porosity, initial saturations of water, oil and gas fractions (hydrogen, light, intermediate, and heavy hydrocarbons), reservoir pressure multiplier, and the aquifer-to-reservoir volume ratio, to simulate leakage behavior over a 1,000-year timescale. We train ROMs using a two-step classification-regression approach, achieving R 2 values exceeding 99 % across all targets. These ROMs effectively capture the leakage evolution and identify critical controls of leakage, guiding the design of mitigation strategies. Results indicate that gas leakage occurs in about 27 % of scenarios as early as five years post-operation, reaching volumes of up to 106 ft3. Oil leakage is less frequent (~17 %) and typically begins decades later. Our findings also show that hydrogen often migrates first, owing to its smaller molecular size and higher buoyancy, followed by heavier hydrocarbons. Over time, these heavier components contribute significantly to the total leaked volume, reinforcing the need for targeted monitoring and remediation strategies. Our analysis highlights that deeper storage reservoirs, shallower aquifers, and low-permeability wellbores significantly reduce leakage risks. In conclusion, this work offers a robust framework for risk-informed UHS deployment, supporting energy security through reliable large-scale hydrogen storage while safeguarding environmental integrity.

08 HYDROGEN

Numerical-heating effects in atmospheric pressure streamer discharges simulated with a PIC code

Artificial heating in plasma simulations is a well-known phenomenon which occurs when, among other things, the Debye length is poorly resolved by the simulation mesh. Here, in this work, the degree to which numerical-heating occurs during a simulation of a nanosecond atmospheric pressure streamer discharge is examined. The streamer is simulated using a two-dimensional finite-element, particle-in-cell code Empire, which uses direct simulation Monte Carlo for binary particle interactions. Initially, an estimate of the numerical-heating rate applied to Empire is performed using a simple plasma model. Second, a positive atmospheric pressure streamer discharge simulation is performed to study the effects of numerical heating on plasma density, electron temperature, and streamer velocity. The nominal Debye length is approximately 1 μm and the amount of numerical heating introduced in the simulation is varied by using mesh sizes ranging from 2 μm to 20 μm. A measurable numerical heating quantity is proposed that can be used to estimate the appropriate element size and quantify the numerical-heating that can be expected over the simulation time for an atmospheric pressure streamer. In conclusion while Δx/λ D violations can be an issue it is not likely to be an issue with streamer discharges that are temporally short and occur in environments where collision frequencies are high. This result validates the rationale of grid size choices for a large amount of previously published works where Δx/λ D violation was not clearly addressed. Primary finding of this work is that numerical heating is of minor concern for plasma simulations where electron–neutral collisions are numerous such that multiple collisions can occur within a single plasma period.

Nikic, Dejan [University of New Mexico, Albuquerqu

Experimental study of ECH pre-ionization on J-TEXT

An experimental study on electron cyclotron heating (ECH) pre-ionization has been conducted on J-TEXT in support of the joint experiment research for ITER plasma initiation. In this experiment, ECH power was injected to the vessel before the application of loop voltage ionize the neutral gas and form the initial plasma or so-called pre-plasma. The impact of several significant factors, such as magnetic field configuration, pre-fill gas pressure, ECH toroidal injection angle and ECH power on the evolution of pre-plasma are systematically studied, aiming to identify shared features, clarify their potential relationship and optimize the discharge parameters to generate a rather high pre-plasma density. By separating ECH power from the inductive start-up, the effect of pre-plasma on tokamak start-up can be observed. A dynamic magnetic configuration facilitates the transition of pre-plasma to tokamak plasma. To assess the influence of pre-plasma density on tokamak start-up, two kinds of magnetic field configurations are examined. While the effect of different pre-plasma densities on tokamak start-up is negligible, a significant difference is observed between pure ohmic start-up and start-up with pre-ionization. The studies presented here show evolutionary trends and threshold values needed to optimize ECH pre-ionization and also a feasible way to improve pre-plasma density and a configuration to stabilize pre-plasma for transition. Eventually, these results may contribute to multi-machine research and physics analysis that can assist ITER with its optimal preparation for first plasma operation.

ECH

A flexible test facility for liquid xenon detector development

As liquid xenon time projection chambers scale to ever-larger sizes, so too do the engineering challenges they pose. Here, we describe a large, flexible, multipurpose test facility capable of supporting the development of a number of key aspects of liquid xenon detector systems. Example applications of this facility include characterization of large-area light and charge sensor arrays, tests of xenon purification techniques and materials compatibility, and investigations into high-voltage phenomena. This facility uses an automated and remotely monitored cryo-cooling system based on immersion of the test chamber in a liquid bath rather than conductive coupling, leading to advantages in temperature and pressure stability, as well as increasing required response times in the case of cooling-power loss. Design advantages, operational procedures, and performance of the facility are described, as well as five examples of liquid xenon test chambers that use the facility.

Dark Matter detectors

Connecting GRBs from binary neutron star mergers to nuclear properties of neutron stars

The fate of the binary neutron star (NS) merger remnants hinges sensitively upon the NS equation of state and the threshold mass, M ls , that separates a long-lived from a short-lived NS remnant. The nature of the electromagnetic counterparts is also influenced by the remnant type, particularly in determining whether a gamma-ray burst from a compact binary merger (cbGRB) is of short or long duration. We propose a novel approach to probe Mls by linking it to the estimated observed ratio of long to short cbGRBs. We find that current observations broadly favor a relatively high value for this transition, M ls ≃ 1.3M TOV , for which M TOV ≲ 2.6M ⊙ , consistent with numerical simulations, as also shown here. Furthermore, our results disfavor nuclear physics scenarios that would lead to catastrophic pressure loss at a few times nuclear density and temperatures of tens of MeV, leading to a rapid gravitational collapse of binaries with total mass M ≲ 1.3M TOV . Future individual gravitational wave events with on-axis cbGRBs can further bound Mls.

79 ASTRONOMY AND ASTROPHYSICS

Results and lessons learned from accelerating radio frequency modeling using machine learning [slides]

The “advanced tokamak” reactor concept is a leading candidate for a steady state fusion pilot plant. An advanced tokamak (AT) sustains a majority of the required plasma current with effects resulting from maintenance of the peaked pressure at the device center. This current is augmented by auxiliary current drive sources. These auxiliary actuators may consist of neutral particle beams and/or radio frequency (RF) systems such as lower hybrid current drive (LHCD) and high harmonic fast wave (HHFW) current drive using radio and microwaves from antennas. The primary focus of this work is to develop models of RF current profile control suitable for use in integrated modeling frameworks and for real-time control in experiments. Direct physics models of RF current drive can be computationally intensive. In order to achieve predictive times appropriate for the thousands of calls needed in real-time control of experiments and for use in integrated models, we will apply modern machine learning (ML) techniques to accelerate these models and interpolate their results. To generate the fast and accurate models for use in control level algorithms and integrated modeling we need to replace present models with high dimensional interpolation of their results. We will perform additional simulations across a broader parameter range for EAST and other tokamaks in different physics regimes (Alcator C-Mod, DIII-D, WEST, CFETR, ARC, ITER) and combine them into a larger database for training and testing of the ML models. Further testing of the control level models with experimental current profile data from EAST and C-Mod tokamaks will provide additional confirmation of the control level model before integration in a tokamak control system or integrated modeling suite. ML will be used to optimize the selection of training data consisting of RF current driven at different values of density profile, temperature profile, plasma current, and wavenumber. ML will also be used to facilitate classification of current drive from these input data. The output of this effort will be a validated classifier capable of determining the current drive profiles for HHFW CD and LHCD on a mille-second timescale. This will provide a breakthrough capability enabling real-time control of RF driven current profiles in experiments including ITER ICRF and use integrated modeling frameworks requiring thousands of current profile calculations in discharge simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY

High-burnup boiling water reactor steady-state operating conditions and fuel performance analysis

The primary operational costs for existing nuclear reactors are plant operation costs, maintenance costs, and fuel costs, all of which are influenced by the materials used and the design of the reactor core. Optimizing core design parameters—including burnup limits and enrichment levels—can lengthen cycles, reduce outages, reduce reload batch fractions and spent fuel storage requirements, and lower maintenance and operating expenses, thereby enhancing economic viability. Furthermore, developing higher-fidelity tools to simulate these parameters enables better identification of the available margin, improves overall plant safety, and improves the understanding a given plant’s responses to accident scenarios. Here, in the US, much of the research and development focus has traditionally been on pressurized water reactors (PWRs), but boiling water reactors (BWRs) comprise approximately one-third of the US reactor fleet. Modeling and simulation advances for BWRs and PWRs—particularly those achieved through the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program—are crucial to the long-term viability of the light–water reactor industry. A key research area of the high burnup and increased enriched fuel initiative is focused on addressing issues related to postulated loss-of-coolant accident (LOCA) scenarios. NEAMS has dedicated significant effort to enhancing tools to better support BWRs. A current focus is showcasing the BWR framework for high-burnup LOCA analysis. This high-fidelity steady-state analysis is a first step toward demonstrating a best-estimate, pin-by-pin high-burnup BWR LOCA analysis to assess full-core cladding rupture behavior for a representative BWR. The objective of this effort is to provide a modeling capability that will help elucidate and provide a best-estimate evaluation for cladding rupture susceptibility in BWRs. This modeling capability could then be used to prevent and/or mitigate cladding ruptures in postulated accident scenarios without penalizing operational parameters. Additionally, the results of this work will help identify strategies for finding additional margins or potentially limiting cladding ruptures through core design optimizations to enable more efficient core designs.

Capps, Nathan [Oak Ridge National Laboratory (ORNL

Macroscopic trends of neoclassical tearing stability in high-field H-mode tokamak pilot plants

The neoclassical tearing mode (NTM) stability metric—minimum marginally stable island width $w$$^{*}_{m}$—was compared across 14651 inductive high-field tokamak pilot plant equilibria. Larger devices with reduced elongation and/or increased minor radius demonstrated an order-of-magnitude increase in $w$$^{*}_{m}$, primarily due to a reduction in bootstrap drive. This work is part of an ongoing effort to ensure passive NTM-stability in the ARC tokamak, in which the technology to achieve active tearing-suppression with localised electron cyclotron current drive does not yet exist. The equilibrium scenarios in the database were Monte Carlo generated and normalised to the same >400MW fusion power, minimum pressure scenario at a range of plasma currents, before tearing analysis using the modified Rutherford equation was applied for all resonant poloidal and toroidal m, n modes up to n = 4. Single-helicity toroidal Δ' calculations in resistive DCON set the minimum marginally stable island width, and a simple modal scaling proportional to –m 2 n –1 was identified for high-m Δ' values. The dominant correlates of $w$$^{*}_{m}$ and Δ' across the database were analysed using interpretable machine learning techniques.

NTM seeding

Dynamic modelling and control strategy of a temperature-driven metal hydride cooling system for buildings

A temperature-driven coupled metal hydride (MH) based thermal energy storage (TES) system can allow to shave and shift the peak energy demand in buildings. The high energy density and long-term (seasonal) energy storage capability are its major advantages over other energy storage methods. The dynamic nature of the MH operation, however, requires controlled hydrogen transfer between the coupled MHs at a rate needed to meet the building's transient load. While temperature-driven MH systems are studied in the literature, their application in buildings and control are scarcely reported. Here, this paper presents a control-based dynamic modeling of the temperature-driven coupled MH-TES system for building cooling applications. The dynamic model is developed in MATLAB(R) Simulink environment, considering the thermodynamic and kinetic behaviors of the MH systems. Based on a preliminary analysis of a property database of over 337 hydrides, we select around 1600 MH pairs suitable for building cooling applications. Each of these MH pairs is studied for their performance using the dynamic model, and among all, Zr 0.76 Ti 0.24 Ni 1.16 Mn 0.63 V 0.14 Fe 0.18 -Ti 0.85 Zr 0.15 Cr 1.2 Mn 0.8 MH pair showed fast dynamics along with high coefficient of performance (COP) of 0.71. A parametric investigation is performed on this MH pair to understand the effect of operating temperatures. Finally, three proportional-integral (PI) feedback controllers are investigated to regulate the temperature, pressure and mass exchange between the coupled MH pairs. The developed PI controller is sufficiently capable of rejecting the signal noise from the hydrogen flow and internal heat exchange processes with root mean square error of 5.78 W between reference and actual cooling load.

08 HYDROGEN

Pnictogen-Bonding Catalysis: Copolymerization of CO 2 and Epoxides on Antimony(V) Platforms

The copolymerization of CO 2 and epoxides to access polycarbonates represents a promising strategy for CO 2 utilization and for the production of useful polymers. Aiming to explore alternative transition-metal-free approaches that support this chemistry, we have investigated a series of triaryl-catecholatostiboranes as pnictogen-bonding platforms for the copolymerization of CO 2 and cyclohexene oxide (CHO). Our survey of these antimony species has identified motifs that promote this polymerization reaction efficiently, provided that bis(triphenylphosphine)iminium chloride is administered as an activator. By coupling these polymerization studies with a careful assessment of the structure, electronic attributes and Lewis acidity of the catecholatostiboranes, this work shows that high activity is generally observed with the weakest pnictogen-bond donors or Lewis acids investigated. Mechanistic studies, which indicate that the polymerization reaction is first order in stiborane, reveal a nonlinear dependence on the CO 2 pressure. This nonlinear dependence could be satisfactorily modeled based on a pre-equilibrium process involving the reversible insertion of the gaseous monomer into the growing chain. Altogether these findings greatly expand the reach of pnictogen bond catalysis while also providing an entry for the use of heavy group 15 elements as competent platforms for CO 2 utilization.

antimony

PIAFS: A 2D nonlinear hydrodynamics code to model gaseous optics

The survivability of final optics is expected to be a major challenge for all future inertial fusion energy concepts. Due to their higher damage threshold, gaseous optics have been identified as a promising solution to this problem. Gaseous optics can be created through the photoabsorption of spatially modulated UV light, which induces various chemical processes that heat the gas. This heating leads to a pressure perturbation, which in turn launches a density perturbation that can imprint a refractive index modulation such as a grating. In this article, we introduce a parallel C/C++ code to simulate gaseous optics. PIAFS2D is a high-order conservative finite-difference code to solve the compressible Navier–Stokes equations along with the photochemical heating sources on Cartesian grids. The simulations are validated by the linear theory derived in a previous paper [Michel et al., Phys. Rev. Appl. 22, 024014 (2024)]. For larger perturbations, the behavior of the system—particularly the evolution of the generated acoustic wave—demonstrates strong nonlinearity. PIAFS2D allows the study of nonlinear behaviors and can be used for the design of high-efficiency gaseous optics elements in realistic experimental conditions.

Oudin, A. [Lawrence Livermore National Laboratory

H 2 O absorption spectroscopy via focused laser differential interferometry

A modification of focused laser differential interferometry (FLDI) is demonstrated with an infrared tunable diode laser (TDL) to achieve simultaneous absorption spectroscopy (AS) measurements. Measurements from this absorbing-FLDI (A-FLDI) are shown for a Hencken burner plume. Initial comparison measurements are recorded using TDLAS and an electrical hygrometer. Raw voltage and estimated absorbance measurements illustrate that the technique detects five distinct absorbance peaks of the methane–air flame while retaining the expected behavior of typical FLDI. This modification furthers efforts to enable FLDI to conduct analysis of the pressures, temperatures, and molecular densities of flows. It also explores the potential for reducing path-integration (PI) effects in absorption spectroscopy and potentially enabling spatially and temporally resolved local flow measurements. Reductions in PI length as high as 82%–84% are observed.

Holladay, Seth (ORCID:0009000650875421)

Scale-Up of Novel Li-Conducting Halide Solid State Battery Electrolyte

LBNL and project partner Saint Gobain (SG) demonstrated scalable processing of halide-based solid state batteries. SG’s innovative halide-based SSE utilized in this project is inherently scalable: it can be compressed into a dense electrolyte sheet at room temperature under moderate pressure, can be processed in dry air, and does not present any safety issues during processing or end use. The halide material forms the dense electrolyte layer, and is dispersed in the thick cathode to form a highly conductive path for Li ions. The halide also comes in contact with various environments and other materials (solvents, binders, processing equipment, etc.) throughout the battery manufacturing process, and must be stable in contact with cathode and anode materials during operation.

25 ENERGY STORAGE