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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 271 records · Page 15

Understanding three-dimensionally interconnected porous oxide-derived copper electrocatalyst for selective carbon dioxide reduction

In this study, we have investigated a hierarchical CuO-derived inverse opal (CuO-IO) catalyst with high CO selectivity up to 80–90% and minimal H 2 evolution at moderate potentials for CO 2 electroreduction. The three-dimensionally (3D) structured, porous catalyst was composed of small CuO nanoparticles and exhibited a peak CO faradaic efficiency (FE) of 72.5% (±1.8), complete suppression of H 2 formation, and good stability over 24 hours operation at –0.6 V versus the reversible hydrogen electrode (RHE). In situ Raman, X-ray absorption spectroscopy and X-ray diffraction measurements indicated reduction of the catalyst into metallic Cu0 oxidation state with dominant Cu(111) orientation under electrocatalytic conditions. We suggest that rapid depletion of CO 2 and protons at the highly roughened catalyst surface likely increased the local pH during the electrolysis. The combination of C 1 favoring Cu(111) surfaces and reduced local proton/CO 2 availability facilitated selective conversion of CO 2 into CO and reduced H 2 and C 2 products. Our work provides additional understanding of the structure–property relationships of 3D porous electrocatalysts for CO 2 reduction applications by evaluating the crystallographic orientation, oxidation state, and crystallite size of a CO-selective CuO-IO catalyst under realistic working conditions.

36 MATERIALS SCIENCE↗

Strategies for on-chip digital data compression for X-ray pixel detectors

Here, the continued desire for X-ray pixel detectors with higher frame rates will stress the ability of application-specific integrated circuit (ASIC) designers to provide sufficient off-chip bandwidth to reach continuous frame rates in the 1 MHz regime. To move from the current 10 kHz to the 1 MHz frame rate regime, ASIC designers will continue to pack as many power-hungry high-speed transceivers at the periphery of the ASIC as possible. In this paper, however, we present new strategies to make the most efficient use of the off-chip bandwidth by utilizing data compression schemes for X-ray photon-counting and charge-integrating pixel detectors. In particular, we describe a novel in-pixel compression scheme that converts from analog to digital converter units to encoded photon counts near the photon Poisson noise level and achieves a compression ratio of >1.5x independent of the dataset. In addition, we describe a simple yet efficient zero-suppression compression scheme called "zeromask" (ZM) located at the ASIC's edge before streaming data off the ASIC chip. ZM achieves average compression ratios of >4x, >7x, and >8x for high-energy X-ray diffraction, ptychography, and X-ray photon correlation spectroscopy datasets, respectively. We present the conceptual designs, register-transfer level block diagrams, and the physical ASIC implementation of these compression schemes in 65 nm CMOS. When combined, these two digital compression schemes could increase the effective off-chip bandwidth by a factor of 6-12x.

47 OTHER INSTRUMENTATION↗

Diffraction of radio-frequency waves by plasma turbulence in the edge of a tokamak

The Mie-Lorenz-Debye theory of scattering of radio frequency waves (RF) by filamentary structures in the edge of a tokamak plasma has been established in prior publications. These results have been verified. Theory and computations show that RF can be reflected, refracted, and diffracted by turbulence. Furthermore, the filamentary structures lead to side scattering of waves and excitation of wave modes different from the launched RF. It is important to quantify the overall effect of turbulence on the propagation of RF since efficiency of heating and current drive by RF waves depends upon the wave characteristics. The commonly used RF ranges vary from the low frequency ion-cyclotron (IC) waves, to medium frequency lower-hybrid (LH) waves, to high-frequency electron cyclotron (EC) waves with wavelengths respectively, large, comparable, or smaller than the radial dimensions of the filaments. Currently, we discuss the scattering as well as the forces exerted by different RF in the edge plasma. Also, we present a code for 3D full wave scattering analysis of arbitrary tensor permittivity and plasma density profiles. The study is applicable to ITER-like plasmas, as well as to plasmas in medium sized tokamaks such as TCV, ASDEX-U and DIII-D and high field concepts like SPARC.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Optimized x-ray emission from 10 ns long germanium x-ray sources at the National Ignition Facility

This study investigates methods to optimize quasi-monochromatic, ~10 ns long x-ray sources (XRS) for time-resolved x-ray diffraction measurements of phase transitions during dynamic laser compression measurements at the National Ignition Facility (NIF). To support this, we produce continuous and pulsed XRS by irradiating a Ge foil with NIF lasers to achieve an intensity of 2 × 10 15 W/cm 2 , optimizing the laser-to-x-ray conversion efficiency. Our x-ray source is dominated by Ge He-α line emission. Here, we discuss methods to optimize the source to maintain a uniform XRS for ~10 ns, mitigating cold plasma and higher energy x-ray emission lines.

47 OTHER INSTRUMENTATION↗

Enhanced Light Outcoupling from OLEDs Fabricated on Novel Low-Cost Patterned Plastic Substrates of Varying Periodicity

OLEDs continue to make strides in display applications, but their commercial utilization in solid-state lighting (SSL) is lagging. An ongoing challenge, in particular for manufacturing, is the need for enhanced efficiency and hence the necessity to increase in an inexpensive approach the extraction of the light generated inside the OLED into the forward (viewing) hemisphere. In conventional OLEDs fabricated on a transparent flat anode coated on glass, the external quantum efficiency (EQE) is only ~20%. About 50% of the light is lost to internal waveguiding in the high refractive index (RI) organic + ITO anode layers and to surface plasmon polaritons (SPPs) at the organic/metal cathode interface. Another ~30% of the light is externally waveguided in the substrate to its edges. While extraction of the externally waveguided light is commonly addressed by adding a microlens array (MLA) or a scattering layer at the substrate’s air-side, light outcoupling increases by only ~1.6-1.7x (vs up to 2.5x in improving from ~20% to ~50%). The use of a hemispherical lens or an index matching fluid (IMF) at the substrate/photodetector (PD) interface increases the outcoupling by at least 2x; these approaches however, are not viable industrially, and even a MLA is sometimes undesirable due to its non-planar, scattering structure. In multi-stack tandem OLEDs, where the metal cathode is far from the emitting zone(s), the impact of photons loss to SPPs decreases. Our project addressed the ~50% loss to the internally waveguided light and SPPs. We evaluated OLEDs fabricated on patterned or planarized plastic substrates manufactured in a cost-effective approach compatible with a roll-to-roll (R2R) process. The OLEDs were either (i) patterned to various degrees depending on the pitch a and height or depth h of the pattern features or (ii) planar, with a pattern buried under a flat high RI planarization layer. We demonstrated that the outcoupling from green patterned OLEDs reaches ~50% by mitigating plasmon–related loss and internal waveguiding, even without the addition of a MLA, a hemispherical lens, or IMF. Simulations conducted in parallel with the experimental effort demonstrated how diffraction by conformally corrugated OLEDs increases the outcoupling to >60%. Structures with varying pitch values were also simulated indicating that combining domains of varying pitch could increase outcoupling to 55-60%. Experimentally, we additionally assessed the role a and h in determining not only the OLED efficiencies, but also their structural properties, i.e., the uniformity and conformality throughout the OLED stack. As planar OLEDs are preferred over corrugated devices, we studied different patterns in plastic substrates that were planarized by a high RI formulation. Planar green OLEDs on such structures showed enhanced efficiencies with EQEs larger than 60% with the addition of an IMF (to extract the substrate mode) at the substrate/Si PD interface. White OLEDs showed EQEs of 45.5%. Plastic substrates are currently less attractive than glass substrates due to drawbacks such as permeability to water vapor and oxygen, and in some cases thermal instability. Plastic substrates however, are flexible and easy to handle unlike thin flexible glass, and once transparent thin barrier films are available, they will become more attractive; they are already of interest in medical applications. Importantly, as it is easy to generate various patterns in different plastic materials, they provide excellent means for assessing and optimizing enhancing extracting structures. Such structures can also be transferred to glass substrates with some process modifications. The technical effectiveness and economic feasibility of the project lie in the patterning of the extracting plastic substrates in an approach that is scalable to R2R manufacturing. R2R processes are of drastically lower-cost than batch or single-unit fabrication. The patterned plastic can be a part of an integrated substrate either plastic or glass, which includes also a MLA or a planar layer with embedded scattering particles, as well as a conductive metal mesh/electrode design. SSL is environmentally-friendly and as OLED SSL becomes more efficient it will reduce electricity consumption, and hence lighting cost, as well as produce less expensive attractive lighting fixtures. Our university-industry collaboration is hence of major benefit to the public as it demonstrates the feasibility of manufacturing optimized extracting substrates for highly efficient OLEDs for SSL in a future R2R process, which would drastically reduce the manufacturing cost and increase production in the USA. Moreover, newly developed methods by our team allow low-cost roll manufactured substrates to be transferred to flexible or rigid glass substrates, which solves the plastic substrate barrier issues, and when combined with device encapsulation will increase the OLEDs’ environmental stability.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

To grind or not to grind? The influence of mechanical and thermal treatments on the $\mathrm{Cu/Zn}$ disorder in $\mathrm{Cu}$ 2 $\mathrm{ZnSn}$($\mathrm{S}$ x $\mathrm{Se}$ 1-x ) 4 monograins

We report that Kesterite-type based thin film solar cell technologies are mainly based on polycrystalline absorber layers. A promising low cost alternative technology uses Cu 2 ZnSn(S x Se 1-x ) 4 (CZTSSe) monograins (single crystals of 20–100 μm size) which are fixed in a polymer matrix to form a flexible solar cell. The Cu/Zn disorder is discussed as a possible reason for band tailing causing voltage losses limiting the efficiency of CZTSSe-based devices. The experimental determination of the order parameter Q which is a quantitative measure of Cu/Zn disorder, requires a differentiation between the isoelectronic cations Cu + and Zn 2+ . An in-depth analysis of neutron diffraction data allows the determination of type and concentration of intrinsic point defects including a distinction between Cu and Zn. Neutron diffraction requires large sample volumes, thus monograins offer the unique possibility to correlate structural disorder in CZTSSe with device performance parameters. In this study we tackle the influence of grinding the monograins on stoichiometry deviations, the Cu/Zn disorder as well as intrinsic point defects and optoelectronic properties of CZTSSe monograins. Moreover, an easy methodology based on Raman scattering spectroscopy is proposed for the assessment of Cu/Zn disorder in the CZTSSe compounds.

14 SOLAR ENERGY↗

Interfacial Hydrophilicity Controls Mineral Transformation Outcomes for Enstatite and Amorphous MgSiO 3

Subsurface injection of carbon dioxide (CO 2 ) into mafic-ultramafic rocks for permanent storage via mineralization is being studied to reduce emissions. Here, we investigated the carbonation products of enstatite (MgSiO 3 ) to assess its efficiency in sequestering CO 2 for safe and permanent storage as carbonate minerals. This was accomplished by conducting variable temperature carbonation reactions with samples of differing crystallinities and surface chemistries. Reaction progress was monitored utilizing in situ X-ray diffraction, and the presence of carbonate products was confirmed using additional techniques, such as thermogravimetric analysis coupled with mass spectrometry and scanning electron microscopy with energy dispersive spectrometry. Our results show that crystalline enstatite produces small amounts of the anhydrous form of MgCO 3 (magnesite), while amorphous MgSiO 3 , which was used to simulate mafic glass, more readily converts to the hydrated/hydroxylated hydromagnesite [Mg 5 (CO 3 ) 4 (OH) 2 ·4H 2 O]. These results, supplemented with dynamic vapor sorption experiments, suggest that surface properties play a significant role in the pathway and degree of carbonation. These developments concerning the reactivity of CO 2 with reactive mafic phases will help further our understanding of the reactivity of these mafic-ultramafic minerals with implications for permanent carbon storage and other subsurface engineering scenarios involving reactive reservoirs.

basalt↗

Sub-threshold ultrafast one-photon photoemission from a Cu(111) photocathode

Single-photon photoemission of electrons for incident photon energies below the surface work function is reported for a single-crystal Cu(111) photocathode. Spectral characterization of the quantum efficiency and mean transverse energy of the emitted electrons is shown to be consistent with emission from a thermalized hot electron distribution photoexcited on sub-picosecond time scales into an upper conduction band at the L-point of the Brillouin zone of copper. To our knowledge, this is the first time that such excited-state thermionic emission has been observed from a planar metal photocathode, and then from a commonly used photocathode material. The results, therefore, indicate the potential importance of such band structure dependent sub-threshold photoemission mechanisms on the performance of photocathodes employed for the generation of short electron pulses using sub-picosecond laser pulses. Consequently, the combined experimental and theoretical work presented in this paper contributes to solid-state photocathode-based research aimed at our understanding and selection (or discovery) of high brightness photo-electron sources required for many electron-based diffraction, imaging, and accelerator applications.

43 PARTICLE ACCELERATORS↗

Understanding and Controlling Photothermal Responses in MXenes

MXenes have the potential for efficient light-to-heat conversion in photothermal applications. To effectively utilize MXenes in such applications, it is important to understand the underlying nonequilibrium processes, including electron–phonon and phonon–phonon couplings. Here, we use transient electron and X-ray diffraction to investigate the heating and cooling of photoexcited MXenes at femtosecond to nanosecond time scales. Our results show extremely strong electron–phonon coupling in Ti 3 C 2 -based MXenes, resulting in lattice heating within a few hundred femtoseconds. We also systematically study heat dissipation in MXenes with varying film thicknesses, chemical surface terminations, flake sizes, and annealing conditions. We find that the thermal boundary conductance (TBC) governs the thermal relaxation in films thinner than the optical penetration depth. In conclusion, we achieve a 2-fold enhancement of the TBC, reaching 20 MW m –2 K –1 , by controlling the flake size or chemical surface termination, which is promising for engineering heat dissipation in photothermal and thermoelectric applications of the MXenes.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Epitaxial Electrodeposition of Fe with Controlled In-Plane Variants for a Reversible Metal Anode in an Aqueous Electrolyte

The development of reversible metal anodes is a key challenge for advancing aqueous battery technologies, particularly for scalable and safe stationary energy storage applications. Here, in this study, we demonstrate a strategy to realize epitaxial electrodeposition of iron (Fe) on single-crystal copper (Cu) substrates in aqueous electrolytes. We compare the electrodeposition behavior of Fe on polycrystalline and single-crystalline Cu substrates, revealing that the latter enables highly uniform, dense, and crystallographically aligned Fe growth. Comprehensive electron backscatter diffraction (EBSD) and X-ray diffraction (XRD) analysis confirms the formation of Fe with specific out-of-plane and in-plane orientations, including well-defined rotational variants. Our findings highlight that epitaxial electrodeposition of Fe can suppress dendritic growth and significantly enhance Coulombic efficiency during plating/stripping cycles. This approach bridges fundamental crystallography with practical electrochemical performance, providing a pathway toward high-efficiency aqueous batteries utilizing Earth-abundant materials.

aqueous battery↗

On the Structural Origin of Fast Li-Ion Cycling in Tetragonal Bronze-Type Nb 8 W 9 O 47

Bronze and bronze-derived, mixed metal oxides are materials of growing interest for lithium-ion battery anodes due to their high-rate capabilities and the potential for high energy densities via multielectron redox. We report on the synthesis and electrochemical properties of the tetragonal tungsten bronzetype phase Nb 8 W 9 O 47 and our investigation into the structural evolution of this phase upon lithium (de)intercalation, with particular attention to how it relates to the fast-cycling capabilities. Electrochemical cycling shows Nb 8 W 9 O 47 can achieve greater than one Li + per transition metal at rates of C/2 or slower and maintains a capacity equivalent to 0.65 Li + per transition metal at a rate of 20C. Sequential Rietveld analysis of operando X-ray diffraction data reveals anisotropic changes to the unit cell parameters during discharge, accompanied by an off-centering of the transition metals within their octahedral environments. While higher capacities can be accessed below 1.2 V, cells discharged to 1.0 V exhibit a significant expansion of the unit cell volume and reduced Coulombic efficiencies. This report suggests that rigid crystal structures incapable of undergoing polyhedral rotational deformations can instead exploit displacive distortions of the transition metal redox center to enable fast Li-ion cycling with minimal atomic rearrangements.

25 ENERGY STORAGE↗

Enabling dynamic 3D coherent diffraction imaging via adaptive latent space tuning of generative autoencoders

Abstract Coherent diffraction imaging (CDI) is an advanced non-destructive 3D X-ray imaging technique for measuring a sample’s electron density. The main challenge of CDI is loss of phase information in diffraction intensity measurements, resulting in lengthy iterative reconstruction processes that can return non-unique solutions, which pose challenges for experiments attempting to track dynamic sample evolution through multiple states. As the increased brightness of fourth-generation light sources enables faster sample measurements and drives operando experiments with Bragg CDI, there is a growing need for faster reconstruction techniques that can keep pace. We have developed an adaptive generative autoencoder approach for uniquely tracking a sample’s electron density as it dynamically evolves. Our approach adaptively tunes the low-dimensional latent embedding of a generative autoencoder, enabling a computationally efficient manner to account for time-varying shifting distributions in real-time. Analytic proof of convergence is provided as well as numerical demonstration of sample tracking with noisy measurements.

97 MATHEMATICS AND COMPUTING↗

Laser-heated capillary discharge plasma waveguides for electron acceleration to 8 GeV

A plasma channel created by the combination of a capillary discharge and inverse Bremsstrahlung laser heating enabled the generation of electron bunches with energy up to 7.8 GeV in a laser-driven plasma accelerator. The capillary discharge created an initial plasma channel and was used to tune the plasma temperature, which optimized laser heating. Although optimized colder initial plasma temperatures reduced the ionization degree, subsequent ionization from the heater pulse created a fully ionized plasma on-axis. The heater pulse duration was chosen to be longer than the hydrodynamic timescale of ≈ 1 ns, such that later temporal slices were more efficiently guided by the channel created by the front of the pulse. Here, simulations are presented which show that this thermal self-guiding of the heater pulse enabled channel formation over 20 cm. The post-heated channel had lower on-axis density and increased focusing strength compared to relying on the discharge alone, which allowed for guiding of relativistically intense laser pulses with a peak power of 0.85 PW and wakefield acceleration over 15 diffraction lengths. Electrons were injected into the wake in multiple buckets and times, leading to several electron bunches with different peak energies. To create single electron bunches with low energy spread, experiments using localized ionization injection inside a capillary discharge waveguide were performed. A single injected bunch with energy 1.6 GeV, charge 38 pC, divergence 1 mrad, and relative energy spread below 2% full-width half-maximum was produced in a 3.3 cm-long capillary discharge waveguide. This development shows promise for mitigation of energy spread and future high efficiency staged acceleration experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Antireflective Multi‐Dielectric Metasurfaces Operating in the Visible

Abstract As increasingly more demanding photonics applications are brought on‐chip, more complex design solutions are employed to deliver enhanced performance: e.g., meta‐molecules, inverse‐designed freeform structures, and multilayer metasurfaces. Instead, this study introduces anti‐reflective metasurfaces fabricated in a single nanolithography step that follows deposition of multiple dielectrics onto a substrate. Anti‐reflective metasurfaces offer fundamentally better transmission efficiencies compared to conventional equivalents. Conventional and anti‐reflective metalenses, both fabricated in the Ta 2 O 5 /SiO 2 material platform for 461 nm operation, show an improvement in focusing efficiencies from ≈ 55% to ≈ 90% at low numerical apertures and from ≈ 35% to ≈ 65% at high numerical apertures. Simulations of ideal and imperfect metalenses indicate that anti‐reflective metasurfaces not only improve transmission at the design library level, but also reduce spurious diffraction and protect against higher‐order scattering.

Optics↗

Quantitative texture analysis at the WAND 2 and HIDRA diffractometers

Data collection and analysis strategies have been developed for efficient and reliable crystallographic texture measurements at two recently upgraded neutron diffractometers: the Wide Angle Neutron Diffractometer Squared (WAND 2 ) and the High Intensity Diffractometer for Residual Stress Analysis (HIDRA) at the High Flux Isotope Reactor located at Oak Ridge National Laboratory. These methods are demonstrated using measurements on a variety of textured samples, including multi-phase steel composites and polycrystalline calcite (CaCO 3 ). Reference measurements were also made at VULCAN, the engineering diffractometer located at the Spallation Neutron Source. The texture data obtained on the different instruments are in agreement, and WAND 2 is more time efficient than HIDRA. Two analysis methods were investigated, single-peak fitting to obtain individual pole figures for inversion and Rietveld texture analysis using MAUD. Here, the impact of the differences between the various textures obtained was evaluated through the calculation of diffraction elastic constants, which is one application of the texture data collected. Both instruments were found to provide texture data that are suitable for complementing other analyses, such as residual stress mapping.

47 OTHER INSTRUMENTATION↗

Metallic d-wave altermagnetism in WFeB: a platform for electrically switchable perpendicular spin-splitter response

We report the synthesis and magnetic characterization of WFeB and identify it as a metallic d-wave altermagnet representative of a broader TiNiSi-type family. Neutron diffraction, Mössbauer spectroscopy, and magnetometry establish a collinear altermagnetic ordering confirmed by first-principles calculations. The electronic structure shows a nonrelativistic spin splitting of approximately 100 meV, but it also supports a strong spin-splitter transport response. This demonstrates that efficient spin-current generation can occur even with such modest band splitting. Symmetry analysis shows that selected film orientations permit deterministic switching of the Néel vector by current-induced staggered torques, enabling electrical control of a perpendicular spin-splitter response. These results establish WFeB and related TiNiSi-type antiferromagnets as a platform for electrically switchable charge-to-spin conversion driven by altermagnetic symmetry.

FOS: Physical sciences↗