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At least 1,369 records · Page 76

Microfluidic electrochemical device and process for chemical imaging and electrochemical analysis at the electrode-liquid interface in-situ

A microfluidic electrochemical device and process are detailed that provide chemical imaging and electrochemical analysis under vacuum at the surface of the electrode-sample or electrode-liquid interface in-situ. The electrochemical device allows investigation of various surface layers including diffuse layers at selected depths populated with, e.g., adsorbed molecules in which chemical transformation in electrolyte solutions occurs.

42 ENGINEERING↗

Effective Schottky barrier lowering of Ni silicide/p-Si(100) using an ytterbium confinement structure for high performance n-type MOSFETs

A simple but effective rare earth metal (RE) confinement structure is demonstrated to suppress surface accumulation of Yb generally encountered in the RE metal incorporated Ni silicide system. The confinement structure is realized by inserting a Ti diffusion barrier layer between Yb and Ni layers. Yb atoms can be constrained in a specified reaction region during silicidation as evidenced by Auger electron spectroscopy and cross-section transmission electron microscopy analysis. The RE metal confinement structure provides a complementary metal-oxide-semiconductor compatible approach for further Schottky barrier height engineering and is a promising method for future technology nodes.

36 MATERIALS SCIENCE↗

Investigating the RTA Treatment of Ohmic Contacts to n-Layers of Heterobipolar Nanoheterostructures

The preparation of ohmic contacts to heterobipolar nanostructures has a number of characteristic features. In addition to the basic requirement of minimizing contact resistance, contacts to this type of structures have a transition layer whose depth of penetration must not exceed the emitter layer’s thickness, due to the possibility of short-circuiting the emitter base p–n junction. In this work, the effect the main technological parameters of rapid thermal annealing have on a contact’s characteristics are examined, and the process of obtaining a low-resistance ohmic contact to heterobipolar transistor layers is optimized. Ohmic contacts to the n-layers of heterobipolar nanoheterostructures based on gallium arsenide and produced via layer-by-layer electron-beam deposition of Ge/Au/Ni/Au are considered. The diffusion distribution profiles of doping with Ge impurities are calculated as a function of the time and temperature of rapid thermal annealing, and are examined via scanning electron microscopy. It is found that rapid thermal annealing for 60 s at a temperature of 398°C yields ohmic contacts with low resistance, smooth surface morphology, and the minimum size of the transition layer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Three-dimensional NDE of VHTR core components via simulation-based testing. Final report

A next generation, simulation-driven-and-enabled testing platform is developed for the 3D detection and characterization of defects and damage in nuclear graphite and composite structures in Very High Temperature Reactors (VHTRs). The proposed work addresses the critical need for the development of high-fidelity Non-Destructive Examination (NDE) technologies for as-manufactured and replaceable in-service VHTR components. Centered around the novel use of elastic (sonic and ultrasonic) waves, this project deploys a robust, non-iterative inverse solution for the 3D defect reconstruction together with a non-contact, laser-based approach to the measurement of experimental waveforms in VHTR core components. In particular, this research (1) deploys three-dimensional Scanning Laser Doppler Vibrometry (3D SLDV) as a means to accurately and remotely measure 3D displacement waveforms over the accessible surface of a VHTR core component excited by mechanical vibratory source; (2) implements a powerful new inverse technique, based on the concept of Topological Sensitivity (TS), for non-iterative elastic waveform tomography of internal defects - that permits robust 3D detection, reconstruction and characterization of discrete damage (e.g. holes and fractures) in nuclear graphite from limited-aperture NDE measurements; (3) implements state-of-the art computational (finite element) model that caters for accurately simulating elastic wave propagation in 3D blocks of nuclear graphite; (4) integrates the SLDV testing methodology with the TS imaging algorithm into a non-contact, high-fidelity NDE platform for the 3D reconstruction and characterization of defects and damage in VHTR core components; and (5) applies the proposed methodology to VHTR core component samples (both two- and three-dimensional) with a priori induced, discrete damage in the form of holes and fractures. Overall, the newly established SLDV-TS testing platform represents a next-generation NDE tool that surpasses all existing techniques for the 3D ultrasonic imaging of material damage from non-contact, limited-aperture waveform measurements. Outlook. The next stage in the development of this technology includes items such as (a) non-contact generation of mechanical vibrations in VHTR components via thermal expansion created by high-intensity laser; (b) development and incorporation of Synthetic Aperture Focusing Technique (SAFT) for elevating the accuracy of 3D imaging in highly noisy environments with minimal accessible surface; (c) further analytical and computational developments to facilitate the reconstruction of diffuse damage (e.g. microcracks) in nuclear graphite as they lead to the dispersion of elastic waves, (d) concept of model updating for accurate tracking of the evolution of material damage via periodic inspections; (d) adoption of the Bayesian framework to obtain information on the certainty of obtained images; and (e) optimization of the computational scheme toward real-time, model-based imaging of damage in VHTR core components.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Plasma-Assisted Pre-Chamber Ignition System for Highly Dilute Stoichiometric Heavy-Duty Natural Gas Engines (Final Technical Report)

This project explored advanced ignition technologies to significantly enhance efficiency and reduce operating costs for heavy-duty natural gas engines operating at stoichiometric conditions, while meeting ultra-low NOx emission standards. The main goal was to develop and validate a plasma-assisted pre-chamber ignition system that could deliver at least a 2% increase in brake thermal efficiency (BTE) and a 4% decrease in total cost of ownership (TCO) compared to a typical multi-cylinder engine with three-way catalyst aftertreatment, ensuring compatibility with the expected 2027 EPA/CARB regulations. In the first half of the project, the research team concentrated on developing and testing plasma-assisted pre-chamber ignition using nanosecond pulsed discharges. Extensive experiments were conducted in an optically accessible rapid-compression and expansion machine, a constant-volume chamber, and an optical single-cylinder engine. Experiments were coupled with CFD simulations. The work produced unique insights into pre-chamber flame formation, jet ignition, dilution effects, and flame quenching at pressures, temperatures, and dilution levels relevant to engines. Although plasma-assisted ignition showed promise in controlled lab settings, the research also identified fundamental and practical challenges when applying this technology to real engine conditions. Midway through the project, a crucial pivot was made, guided by three key findings. First, the power electronics required for nanosecond plasma discharges were found to be too costly for commercial use, undermining the project’s cost-of-ownership goals. Second, nanosecond plasma ignition was highly sensitive to turbulent flow in the pre-chamber, resulting in lower ignition reliability than traditional spark under engine-like conditions. Third, achieving a truly diffuse low-temperature plasma at high pressures near top dead center was not possible, reducing the anticipated chemical enhancement benefits. These results collectively suggested that continuing with plasma-assisted ignition was unlikely to meet both efficiency and cost objectives. In response, the project shifted focus to a more realistic approach: enhancing traditional spark-based pre-chamber ignition with significantly less spark energy. Using insights gained earlier in the project, the team redesigned the pre-chamber to maintain high dilution tolerance and quick combustion, even with lower ignition energy. Testing confirmed that with optimized pre-chamber design and combustion timing, a lower-energy spark could reliably ignite highly diluted stoichiometric mixtures, reduce burn time, and boost thermal efficiency. Final engine testing and techno-economic analysis verified that this revised approach successfully achieved the project goals. The optimized pre-chamber ignition system provided over a 2% increase in calculated brake thermal efficiency compared to the baseline engine. Notably, the lower ignition energy and simplified hardware reduced component stress, extended maintenance intervals, and lowered the total cost of ownership. When used with stoichiometric operation and traditional three-way aftertreatment, the system remained compatible with near-zero NOx emissions targets without increasing cost or complexity in the emissions control system. In summary, although the project deviated from its initial plasma-assisted ignition idea, the work produced a more practical and commercially viable solution. The results show that precisely optimized, low-energy pre-chamber spark ignition can significantly improve efficiency and reduce overall ownership costs for heavy-duty natural gas engines. This directly aligns with DOE goals for cleaner, more efficient, and cost-effective transportation technologies.

03 NATURAL GAS↗

Demonstrate Thermal Property Measurement on Irradiated Fuel in IMCL

In order to assist in the post-irradiated measurement of thermal conductivity, the Advanced Fuels Campaign (AFC) of the DOE’s Nuclear Technology Research and Development (NTRD) program has invested in the design and build of a thermal conductivity microscope (TCM) system [3] based upon thermoreflectance methods. The TCM was installed into the Thermal Properties Cell (TPC) in the Irradiated Materials Characterization Laboratory at the Idaho National Laboratory’s (INL) Materials and Fuels Complex (MFC) in December 2018. In addition to the TCM, a Netzsch Laser Flash analyzer (LFA) instrument (model LFA427HC) was designed and built via vendor contract and installed into the TPC in April 2019. These instruments were specifically designed for the measurement of thermal conductivity and diffusivity on irradiated fuels and materials. The TPC began radiological operations on September 12, 2019. In order to demonstrate the successful installation of this new measurement capability the U-Zr fuel system, specifically U-10 wt.% Zr, was chosen as the first material to be evaluated due to its importance to the NTRD program. The results of the first four measurements conducted in the TPC on the LFA and the TCM are given in this report.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Nonlinear programming optimization of a single-stack electrodialysis desalination system for cost efficiency

Electrodialysis (ED) presents a competitive method for desalinating brackish waters. In this work, we perform cost optimization of a single-stack ED system across a range of feed salinities and water recoveries while optimizing operating voltage, number of cell pairs, and cell length. The results of our optimization show that the levelized cost of water (LCOW) increases with an increase in feed salinity. The outcomes of our optimization show that cost-optimal design generally increases cell length while decreasing cell pair number and operating voltage with an increase in salinity. These trends are nonlinear, with the number of cell pairs and applied voltage exhibiting local maxima when operating at low salinity and high recovery. We discuss the underlying mechanism for cell length becoming a leveraging design parameter by inspecting the length-dependent profiles of key electrochemical properties of the ED cell. Finally, we present how increasing performance metrics and decreasing costs impact LCOW, demonstrating that innovations that decrease counter-current diffusion have resulted in the highest decrease of LCOW.

42 ENGINEERING↗

Ion irradiation study of lithium silicates for fusion blanket applications

Here, this study reports on the microstructural and compositional evolutions, deuterium release and lithium loss behavior in lithium silicates. Pellets of biphasic Li 4 SiO 4 and Li 2 SiO 3 were fabricated using hot pressing of powders. Sequential irradiation with Si + , He + and D + ions was performed up to 773 K to emulate one-year 6 Li burnup in 6 Li 4 SiO 4 inside the SlimCS DEMO. Crystalline Li 4 SiO 4 phase was not observed in the irradiated depth region of all the samples in this study. In spite of full amorphization in the near-surface region, Li 2 SiO 3 irradiated to a high dose at 773 K remained crystalline in the damage peak region, suggesting that Li 2 SiO 3 is more irradiation resistant to amorphization than Li 4 SiO 4 . Radiolysis may be primarily responsible for silicate decomposition and amorphization. Data from this study also show that D release from the pellet is very efficient during ion irradiation at 773 K, which is accompanied with a significant Li loss. Thermal annealing for 10 min at 773 K for the room-temperature irradiated pellet leads to a nearly complete D release without an observable Li loss. A concept of Ni coating on tritium breeder materials is discussed with supporting data to minimize Li loss without a significant impact on tritium diffusion and release.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Hydrogen and deuterium permeation in Hastelloy N

Hastelloy N was chosen as the fluoride salt-contacting structural material for the Molten Salt Reactor Experiment due to its excellent compatibility with the fuel salt FLiBe. FLiBe is currently investigated for several advanced fusion and fission reactor concepts where tritium generation in the FLiBe is anticipated. Knowledge of hydrogen transport properties through Hastelloy N is important to understand how tritium would permeate through this material and result in an unintentional release. In this study, the hydrogen and deuterium permeability, diffusivity, and solubility were measured from 500 to 700 °C at a primary-side pressure of 10 kPa in a well-characterized sample of Hastelloy N. The prepared polycrystalline Hastelloy N had C and O impurities present on the surface. These impurities were investigated using Auger Emission Spectroscopy and Ar depth profiling. Here, the adventitious C was removed upon the first Ar sputter cycle whereas O persisted deeper into the sample. For permeation experiments, applied deuterium pressures ranged from 13 Pa to 100 kPa and deuterium transport remained in the diffusion-limited regime (J ∝ P 0.5 ) throughout the pressure range examined. Two methods are employed to measure the effective hydrogen and deuterium diffusivity: rise and decline. The decline method produced improved statistical model fits for calculating the effective diffusion coefficient compared to the rise method. The resultant transport properties compared well to published values for other nickel alloys.

08 HYDROGEN↗

Preparation and electrochemical properties of high-entropy oxide Li x (CrMnCoNiZn) 3-x O 4

High-entropy oxides (HEOs) have gained significant attention as anode materials for lithium-ion batteries (LIBs) due to their high theoretical specific capacity, synergistic effects of constituent elements, and enhanced structural stability induced by high entropy. Here, this study investigates the electrochemical properties of a novel series of HEOs, Li x (CrMnCoNiZn) 3-x O 4 , synthesized via the sol-gel method. As lithium content increases, the electrochemical lithium storage performance of the HEOs improves, attributed to the rise in high-valence states and oxygen vacancies. The high valence state of elements facilitates greater electron transfer, enhancing the specific capacity during lithium insertion. Additionally, a higher concentration of oxygen vacancies boosts ionic conductivity and lithium ion diffusion kinetics, leading to superior electrochemical performance. Among the synthesized materials, Li 0.11 (CrMnCoNiZn) 2.89 O 4 exhibited the best performance, delivering a discharge capacity of 365 mAh·g −1 after 100 cycles at 100 mA·g −1 , 257 mAh·g −1 after 1000 cycles at 1 A·g −1 , and a rate capacity of 196 mAh·g −1 at 2 A·g −1 . The Li + diffusion coefficient reached 2.78 × 10 −15 cm 2 ·s −1 . This work not only deepens the understanding of HEOs' electrochemical behavior in LIBs but also provides insights into the impact of lithium ion substitution on their performance.

25 ENERGY STORAGE↗

Mobility of tungsten clusters on tungsten surfaces

It is reported on an accelerated molecular dynamics investigation of surface transport mechanisms on W surfaces. These mechanisms likely influence the formation of nano-fuzz in fusion plasma-facing conditions. The simulations use an embedded-atom potential to investigate the diffusion mechanisms of W clusters (W n , n = 2–9) on W(1 1 0) and W(1 0 0) surfaces at 1000 K, reaching timescales beyond 10 microseconds. A number of fast moving adatom species, W n (n = 2–6), were observed. In contrast, slightly larger clusters W n (n = 7–9), especially W 8 , exhibit significantly lower diffusivities. The diffusion mechanisms of W n clusters on the W(1 1 0) surface are complex, with the most common elementary steps involving hops of monomers and dimers. Moreover, we observe tetramer hopping in the diffusion processes of W n (n = 4–7), trimer hopping in W n (n = 5, 6, 8), and pentamer hopping in W 5 on the W(1 1 0) surface. W n (n ≤ 3) and metastable W n (n > 3) clusters on the W(1 0 0) surface diffuse predominantly through monomer exchange with surface atoms. However, W clusters containing square tetramers are essentially immobile on the W(1 0 0) surface at 1000 K.

Instruments & Instrumentation↗

Direct Deposition of Crystalline Ta 3 N 5 Thin Films on FTO for PEC Water Splitting

Tantalum Nitride is a promising photoanode material for solar water splitting, but the further study and practical use is constrained by the harsh conditions of the synthesis from Ta metal. Here we report the direct deposition of crystalline Ta 3 N 5 on FTO substrate via a custom-built ALD system. A combination of TaCl 5 (Ta-precursor) and ammonia (N-source) were sequentially pulsed into the ALD reactor with the substrate heated to 550 °C to deposit compact and thin films of Ta 3 N 5 with controllable thicknesses on FTO substrates. Importantly, it is shown that the FTO is chemically and structurally stable under the reducing conditions of ammonia at 550 °C. These electrodes produced an exceptional photocurrent onset potential of ~ 0.3 V vs. RHE with a maximum photocurrent of ~ 2.4 mA cm -2 at 1.23 V vs RHE. Results of photoelectrochemical investigations as a function of film thickness and illumination direction reveal that the performance of Ta 3 N 5 is controlled by a hole diffusion length of ~50 nm. These results are crucial for the successful integration of Ta 3 N 5 in efficient unassisted water splitting applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Ultrafast Atomic Layer-by-Layer Oxygen Vacancy-Exchange Diffusion in Double-Perovskite LnBaCo2O5.5+δ Thin Films

Surface exchange and oxygen vacancy diffusion dynamics were studied in double-perovskites LnBaCo2O5.51d (LnBCO) single-crystalline thin films (Ln 5 Er, Pr; 20.5 , d , 0.5) by carefully monitoring the resistance changes under a switching flow of oxidizing gas (O2) and reducing gas (H2) in the temperature range of 250 , 8006C. A giant resistance change DR by three to four orders of magnitude in less than 0.1 s was found with a fast oscillation behavior in the resistance change rates in the DR vs. t plots, suggesting that the oxygen vacancy exchange diffusion with oxygen/hydrogen atoms in the LnBCO thin films is taking the layer by layer oxygen-vacancy-exchange mechanism. The first principles density functional theory calculations indicate that hydrogen atoms are present in LnBCO as bound to oxygen forming O-H bonds. This unprecedented oscillation phenomenon provides the first direct experimental evidence of the layer by layer oxygen vacancy exchange diffusion mechanism.

ELECTRONIC PROPERTIES AND MATERIALS↗

Gyro-induced acceleration of magnetic reconnection

The linear and nonlinear evolution of magnetic reconnection in collisionless high-temperature plasmas with a strong guide field is analyzed on the basis of a two-dimensional gyrofluid model. The linear growth rate of the reconnecting instability is compared to analytical calculations over the whole spectrum of linearly unstable wave numbers. In the strongly unstable regime (large Δ′), the nonlinear evolution of the reconnecting instability is found to undergo two distinctive acceleration phases separated by a stall phase in which the instantaneous growth rate decreases. The first acceleration phase is caused by the formation of strong electric fields close to the X-point due to ion gyration, while the second acceleration phase is driven by the development of an open Petschek-like configuration due to both ion and electron temperature effects. Furthermore, the maximum instantaneous growth rate is found to increase dramatically over its linear value for decreasing diffusion layers. This is a consequence of the fact that the peak instantaneous growth rate becomes weakly dependent on the microscopic plasma parameters if the diffusion region thickness is sufficiently smaller than the equilibrium magnetic field scale length. When this condition is satisfied, the peak reconnection rate asymptotes to a constant value.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Ultrafast supercontinuum fiber-laser based pump-probe scanning magneto-optical Kerr effect microscope for the investigation of electron spin dynamics in semiconductors at cryogenic temperatures with picosecond time and micrometer spatial resolution

We describe a two-color pump-probe scanning magneto-optical Kerr effect microscope which we have developed to investigate electron spin phenomena in semiconductors at cryogenic temperatures with picosecond time and micrometer spatial resolution. The key innovation of our microscope is the usage of an ultrafast “white light” supercontinuum fiber-laser source which provides access to the whole visible and near-infrared spectral range. Our Kerr microscope allows for the independent selection of the excitation and detection energy while avoiding the necessity to synchronize the pulse trains of two separate picosecond laser systems. The ability to independently tune the pump and probe wavelength enables the investigation of the influence of excitation energy on the optically induced electron spin dynamics in semiconductors. We demonstrate picosecond real-space imaging of the diffusive expansion of optically excited electron spin packets in a (110) GaAs quantum well sample to illustrate the capabilities of the instrument.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

The Kelvin-Helmholtz instability in National Ignition Facility hohlraums as a source of gold-gas mixing

Highly resolved radiation-hydrodynamics FCI2 simulations have been performed to model laser experiments on the National Ignition Facility. In these experiments, cylindrical gas-filled hohlraums with gold walls are driven by a 20 ns laser pulse. For the first time, simulations show the appearance of Kelvin-Helmholtz (KH) vortices at the interface between the expanding wall material and the gas fill. In this paper, we determine the mechanisms which generate this instability: the increase of the gas pressure around the expanding gold plasma leads to the aggregation of an over-dense gold layer simultaneously with shear flows. At the surface of this layer, all the conditions are met for a KH instability to grow. Later on, as the interface decelerates, the Rayleigh-Taylor instability also comes into play. A potential scenario for the generation of a mixing zone at the gold-gas interface due to the KH instability is presented. Our estimates of the Reynolds number and the plasma diffusion width at the interface support the possibility of such a mix. The key role of the first nanosecond of the laser pulse in the instability occurrence is also underlined.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

MPRAD: A Monte Carlo and ray-tracing code for the proton radiography in high-energy-density plasma experiments

Proton radiography is used in various high-energy-density (HED) plasma experiments. In this paper, we describe a Monte Carlo and raytracing simulation tool called multimegaelectronvolt proton radiography (MPRAD) that can be used for modeling the deflection of proton beams in arbitrary three dimensional electromagnetic fields as well as the diffusion of the proton beams by Coulomb scattering and stopping power. Specifically, the Coulomb scattering and stopping power models in cold matter and fully ionized plasma are combined using interpolation. We discuss the application of MPRAD in a few setups relevant to HED plasma experiments where the plasma density can play a role in diffusing the proton beams and affecting the prediction and interpretation of the proton images. It is shown how the diffusion due to plasma density can affect the resolution and dynamical range of the proton radiography.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Deep-learning-enabled Bayesian inference of fuel magnetization in magnetized liner inertial fusion

Fuel magnetization in magneto-inertial fusion (MIF) experiments improves charged burn product confinement, reducing requirements on fuel areal density and pressure to achieve self-heating. By elongating the path length of 1.01 MeV tritons produced in a pure deuterium fusion plasma, magnetization enhances the probability for deuterium–tritium reactions producing 11.8-17.1 MeV neutrons. Nuclear diagnostics thus enable a sensitive probe of magnetization. Characterization of magnetization, including uncertainty quantification, is crucial for understanding the physics governing target performance in MIF platforms, such as magnetized liner inertial fusion (MagLIF) experiments conducted at Sandia National Laboratories, Z-facility. We demonstrate a deep-learned surrogate of a physics-based model of nuclear measurements. A single model evaluation is reduced from O ( 10 – 100 ) (10–100) CPU hours on a high-performance computing cluster down to O ( 10 – 100 ) (10) ms on a laptop. This enables a Bayesian inference of magnetization, rigorously accounting for uncertainties from surrogate modeling and noisy nuclear measurements. The approach is validated by testing on synthetic data and comparing with a previous study. We analyze a series of MagLIF experiments systematically varying preheat, resulting in the first ever systematic experimental study of magnetic confinement properties of the fuel plasma as a function of fundamental inputs on any neutron-producing MIF platform. We demonstrate that magnetization decreases from B R ∼ 0.2 ~0.5 to B R ∼ 0.2 ~0.2 MG cm as laser preheat energy deposited increases from E preheat ∼ 460 ~460 J to E preheat ∼ 460 ~1.4 kJ. This trend is consistent with 2D LASNEX simulations showing Nernst advection of the magnetic field out of the hot fuel and diffusion into the target liner.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗