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At least 955 records · Page 53

Tuning Intermediate Bands of Protective Coatings to Reach the Bulk-Recombination Limit of Stable Water-Oxidation GaP Photoanodes

Stable photoelectrochemical solar fuel production requires protective coatings to achieve effective charge separation, transport, and injection at the semiconductor–liquid interfaces, implying that the coating should energetically align its intermediate band (IB) with both the photoabsorber's band edge and co-catalyst's potentials. Yet approaches to adjust coating IB positions to accommodate various semiconductor light absorbers for constructing efficient and stable photoelectrodes have not been developed. In this report, three types of transition metal (M = Mn 2+ , Mn 3+ , and Cr 3+ ions) alloyed TiO2 coatings are discovered using atomic layer deposition (ALD). The IB energetics of these coatings are characterized by X-ray photoelectron spectroscopy and are found to be tunable inside the TiO 2 bandgap, through varying ALD growth conditions. By applying these coatings to n-type GaP and integrating with IrO x co-catalysts, the water-oxidation J–E performance is comparable to an uncoated corroding GaP photoanode. It reaches the bulk recombination limit of the GaP and achieves ≈28% absorbed photon to current efficiency under 475-nm light excitation (6.48 mW cm -2 ) and 100-h stable water oxidation. The outstanding performance and stability are attributed to the efficient charge separation and hole transport, as allowed by the energy alignment of the coating IB and the GaP valence band edge.

36 MATERIALS SCIENCE↗

Revisiting the K-edge X-ray absorption fine structure of Si, Ge–Si alloys, and the isoelectronic series: CuBr, ZnSe, GaAs, and Ge

Extended X-ray absorption fine structure (EXAFS) has evolved into an unprecedented local-structure technique that is routinely used to study materials’ problems in the biological, chemical, and physical sciences. Like many other experimental techniques, EXAFS also requires that several key atomic parameters must be known a priori before structural information can be quantitatively determined. Utilizing current analytical methods, we revisit the isoelectronic series CuBr, ZnSe, GaAs, and Ge originally studied by Stern et al. during the early development of EXAFS. We demonstrate that the ab initio EXAFS code FEFF accurately predicts the atomic phase shifts and backscattering amplitudes that are primarily functions of the sum of atomic numbers Z along an EXAFS scattering path. We also investigate quantitative fitting and first- and second-shell phase transferability together with problems that arise if a backscattering atom is identified incorrectly in an EXAFS fitting model. Features in the near-edge region, on the other hand, are shown to require a comprehensive treatment of the band structure and density-of-states, including effects of the screened Coulomb interaction between the photoelectron and core hole. Here, we demonstrate that the Bethe–Salpeter equation (BSE) accurately captures the NEXAFS (or XANES) portion of the spectrum for the isoelectronic series in addition to Si and Ge–Si alloys, including within a few eV of the absorption edge, where band structure and excitonic effects are most important.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Electronic Configurational Transformation of Network Modifiers in Aluminate Glass above Megabar Pressures

Electronic responses of glasses under extreme pressures differ from those of crystalline analogs. Their distinct electronic environments are found in network formers with well-defined, covalent-bonded coordination environments (e.g., [4] Si and [4] Al) and in network modifiers with more disordered, ionic-bonded configurations (e.g., [5,6,7] Ca). Deciphering the evolution of the bonding environment of network modifier cations upon compression provides atomic insights into the pressure-driven hardening and transport properties of glasses. Despite the importance, in contrast to extensive efforts to uncover how network formers behave under pressure, considerable structural disorder around network modifiers makes it challenging to probe their electronic bonding environments under compression. Our understanding of the evolution of network modifiers above megabars is currently absent. Here, we report a discovery of highly densified electronic configurations of network modifier Ca in aluminate glass under extreme compression via the first inelastic X-ray scattering at the Ca L-edge up to 140 GPa. As evidenced by the prominent pressure-driven increases in electronic dispersion and delocalization, densified calcium environments are characterized by a decreased average Ca–O distance, the formation of highly coordinated calcium, a broader distribution of topological variables, and a greater distortion of Ca polyhedra above megabars. The spectral features for the Ca environments reveal significant electronic and bonding modifications, including pressure-driven increases in the ligand field interaction, the covalence characteristic of the Ca–O bond, and the electron–hole Coulomb interaction. These densification paths identify the electronic adaptation of network modifiers above megabars, shedding light on the origins of enhanced electron transport and the electron-storing capacity of glasses under pressure.

amorphous materials↗

Visualizing the strongly reshaped skyrmion Hall effect in multilayer wire devices

Magnetic skyrmions are nanoscale spin textures touted as next-generation computing elements. When subjected to lateral currents, skyrmions move at considerable speeds. Their topological charge results in an additional transverse deflection known as the skyrmion Hall effect (SkHE). While promising, their dynamic phenomenology with current, skyrmion size, geometric effects and disorder remain to be established. Here we report on the ensemble dynamics of individual skyrmions forming dense arrays in Pt/Co/MgO wires by examining over 20,000 instances of motion across currents and fields. The skyrmion speed reaches 24 m/s in the plastic flow regime and is surprisingly robust to positional and size variations. Meanwhile, the SkHE saturates at ~22 ° , is substantially reshaped by the wire edge, and crucially increases weakly with skyrmion size. Particle model simulations suggest that the SkHE size dependence - contrary to analytical predictions - arises from the interplay of intrinsic and pinning-driven effects. These results establish a robust framework to harness SkHE and achieve high-throughput skyrmion motion in wire devices.

36 MATERIALS SCIENCE↗

Design of a low frequency, density profile reflectometer system for the MAST-U spherical tokamak

Validated and accurate edge profiles (temperature, density, etc.) are vitally important to the Mega Ampere Spherical Tokamak Upgrade (MAST-U) divertor and confinement effort. Density profile reflectometry has the potential to significantly add to the measurement capabilities currently available on MAST-U (e.g., Thomson scattering and Langmuir probes). This work presents the diagnostic requirements, problems, and solutions facing profile reflectometry in spherical tokamaks and MAST-U in particular. Requirements include density measurements near zero electron density in the scrape off layer region, coverage for a broad range of MAST-U plasma parameters, high time (≤10 microseconds) and spatial resolutions (≤1 cm), reliability, and identification of the plasma start frequency.

Instruments & Instrumentation↗

Electric current paths in a Si:P delta-doped device imaged by nitrogen-vacancy diamond magnetic microscopy

The recently-developed ability to control phosphorous-doping of silicon at an atomic level using scanning tunneling microscopy, a technique known as atomic precision advanced manufacturing (APAM), has allowed us to tailor electronic devices with atomic precision, and thus has emerged as a way to explore new possibilities in Si electronics. In these applications, critical questions include where current flow is actually occurring in or near APAM structures as well as whether leakage currents are present. In general, detection and mapping of current flow in APAM structures are valuable diagnostic tools to obtain reliable devices in digital-enhanced applications. In this report, we used nitrogen-vacancy (NV) centers in diamond for wide-field magnetic imaging (with a few-mm field of view and micron-scale resolution) of magnetic fields from surface currents flowing in an APAM test device made of a P delta-doped layer on a Si substrate, a standard APAM witness material. We integrated a diamond having a surface NV ensemble with the device (patterned in two parallel mm-sized ribbons), then mapped the magnetic field from the DC current injected in the APAM device in a home-built NV wide-field microscope. The 2D magnetic field maps were used to reconstruct the surface current densities, allowing us to obtain information on current paths, device failures such as choke points where current flow is impeded, and current leakages outside the APAM-defined P-doped regions. Analysis on the current density reconstructed map showed a projected sensitivity of ~0.03 A m -1 , corresponding to a smallest-detectable current in the 200 μm wide APAM ribbon of ~6 μA. These results demonstrate the failure analysis capability of NV wide-field magnetometry for APAM materials, opening the possibility to investigate other cutting-edge microelectronic devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

A Perspective on Data and Privacy for AI in Healthcare [Industrial and Governmental Activities]

As large language models continue to push the bounds of AI model size, they are also being trained on unprecedented volumes of data. While individual hospitals are estimated to produce petabytes of data per year, only a small fraction is currently being used for developing AI models. Additionally, with such data resources available, healthcare is well-positioned to benefit from the current trends in AI. Moreover, the inherently multi-modal and longitudinal nature of clinical data – from omics to imaging to unstructured notes – provides a fertile ground for the development and application of cutting-edge architectures like foundation models.

Gounley, John [Oak Ridge National Laboratory (ORNL↗

Developments for Novel Module Architecture for Lower CapEx and Improved Recyclability for c-Si PV Modules

Photovoltaic (PV) energy production is currently increasing at a significant rate. A novel module architecture has been demonstrated that has potential for reducing manufacturing cost while improving module reliability and recycling for c-Si PV which utilizes an edge-seal. Referred to as Edge Sealed Module (ESM), this architecture eliminates the vacuum lamination process and cross-linked encapsulants on the interior of the module. Functioning prototypes of c-Si have been fabricated for stress testing in collaboration with National Renewable Energy Laboratories (NREL). These modules are being tested and compared to traditionally manufactured modules. Based on preliminary results, this module architecture is a potentially viable solution for improving the manufacturing cost and recyclability of PV modules while enhancing module performance.

costs↗

Towards Three-Dimensional Neutron Imaging with Light-field Technology

A broad range of applications in nuclear safeguards and security can benefit from compact, fast neutron imagers with large angular acceptance. However, accurate 3D multi-vertex reconstruction in a monolithic detector remains a significant barrier to realization. Current approaches, such as the centroiding approach and the use of shadow masks, have not yet resulted in a successful demonstration in a light-starved environment. This project explored the use of cutting-edge technology—a light field camera—which inherently preserves both the spatial and directional information of incident light. Such technology can, in principle, resolve multi-vertex events and offer accurate position reconstruction in 3D with relatively simple readout electronics. Since the project's inception in May 2023, we have built an experimental setup to calibrate and characterize a commercial light-field camera (Lytro Illum). We assessed its 3D event reconstruction capability in a relatively low-light intensity environment by analyzing the cross-correlation of a series of 2D images of a characterized tunable light source taken at various distances. A sub-cm resolution, lower than typical neutron interaction separations in a compact scintillator volume, was observed with the LED light source, suggesting the promising capability of its nominal optics design to provide the adequate resolution required for a compact monolithic neutron directional detector. However, using a light-field-based readout for a neutron camera requires incorporating an ultra-low-noise light sensor, which is beyond the scope of this project. We also initiated the development of a 3D light-field-based reconstruction algorithm tailored to sparse scenes, as expected from particle interactions in a scintillator medium. Additionally, we demonstrated the capability of the algorithm to replicate the ground truth. Finally, we began the development of a neutron directional detector simulation to determine the performance criteria for light-field-based reconstruction that allows for good neutron directional reconstruction. This Feasibility Study has led to a successful follow-up project under the DNN R&D innovation portfolio starting May 2024.

42 ENGINEERING↗

Prediction of Solar Irradiance and Photovoltaic Solar Energy Product Based on Cloud Coverage Estimation Using Machine Learning Methods

Cloud cover estimation from images taken by sky-facing cameras can be an important input for analyzing current weather conditions and estimating photovoltaic power generation. The constant change in position, shape, and density of clouds, however, makes the development of a robust computational method for cloud cover estimation challenging. Accurately determining the edge of clouds and hence the separation between clouds and clear sky is difficult and often impossible. Toward determining cloud cover for estimating photovoltaic output, we propose using machine learning methods for cloud segmentation. We compare several methods including a classical regression model, deep learning methods, and boosting methods that combine results from the other machine learning models. To train each of the machine learning models with various sky conditions, we supplemented the existing Singapore whole sky imaging segmentation database with hazy and overcast images collected by a camera-equipped Waggle sensor node. We found that the U-Net architecture, one of the deep neural networks we utilized, segmented cloud pixels most accurately. However, the accuracy of segmenting cloud pixels did not guarantee high accuracy of estimating solar irradiance. We confirmed that the cloud cover ratio is directly related to solar irradiance. Additionally, we confirmed that solar irradiance and solar power output are closely related; hence, by predicting solar irradiance, we can estimate solar power output. This study demonstrates that sky-facing cameras with machine learning methods can be used to estimate solar power output. This ground-based approach provides an inexpensive way to understand solar irradiance and estimate production from photovoltaic solar facilities.

14 SOLAR ENERGY↗

Jet array impingement flow distributions and heat transfer characteristics: Effects of initial crossflow and nonuniform array geometry

Flow distributions and heat transfer characteristics for two-dimensional arrays of circular air jets impinging on a surface parallel to the jet orifice plate were determined. The configurations considered were intended to model those of interest in current and contemplated gas turbine airfoil midchord cooling applications. The geometry of the airfoil applications considered dictates that all of the jet flow, after impingement, exit in the chordwise (i.e., streamwise) direction toward the trailing edge. Experimental results for the effect of an initial crossflow on both flow distributions and heat transfer characteristics for a number of the prior uniform array geometries. The effects of nonuniform array geometries on flow distributions and heat transfer characteristics for noninitial crossflow configurations are discussed.

Florschuetz, L. W.↗

Incompressible magnetohydrodynamic surface waves - Nonlinear aspects

The nonlinear properties of MHD surface waves in the solar atmosphere are investigated analytically, assuming that the fluid is incompressible and that the waves are confined to a single surface, with semiinfinite regions on both sides. The governing equations are derived in detail, and qualitative results are presented in a graph. For propagating waves, second-order terms in the wave amplitude are found to lead to wave steepening at leading or trailing edges, the steepening rate becoming very large as the threshold for the linear Kelvin-Helmholtz instability is approached. Second-order effects on standing waves include crest and trough sharpening (increasing with time), a current independent of distance on the surface but decreasing exponentially with distance from the surface, and pressure-field fluctuations of infinite extent. It is suggested that these effects could account for a large fraction of solar-atmosphere heating.

Hollweg, Joseph V.↗

Toughened composites; Proceedings of the Symposium, Houston, TX, Mar. 13-15, 1985

The papers presented in this volume provide an overview of current research aimed at the development of tougher high-performance continuous graphite fiber composites for aerospace applications. Topics discussed include toughened composites selection criteria, micromechanisms of fracture in toughened graphite/epoxy laminates, the characterization of edge delamination growth in laminates under fatigue loading, and rate effects on delamination fracture toughness of a toughened graphite/epoxy. Papers are also presented on the development of residual thermal stresses in amorphous and semicrystalline thermoplastic matrix composites, structural property improvements through hybridized composites, and screening of advanced matrix resin systems in high performance aircraft.

Johnston, Norman J.↗

Viscous vortex flows

Several computational studies are currently being pursued that focus on various aspects of representing the entire lifetime of the viscous trailing vortex wakes generated by an aircraft. The formulation and subsequent near-wing development of the leading-edge vortices formed by a delta wing are being calculated at modest Reynolds numbers using a three-dimensional, time-dependent Navier-Stokes code. Another computational code was developed to focus on the roll-up, trajectory, and mutual interaction of trailing vortices further downstream from the wing using a two-dimensional, time-dependent, Navier-Stokes algorithm. To investigate the effect of a cross-wind ground shear flow on the drift and decay of the far-field trailing vortices, a code was developed that employs Euler equations along with matched asymptotic solutions for the decaying vortex filaments. And finally, to simulate the conditions far down stream after the onset of the Crow instability in the vortex wake, a full three-dimensional, time-dependent Navier-Stokes code was developed to study the behavior of interacting vortex rings.

Weston, R. P.↗

Patterns of deformation and volcanic flows associated with lithospheric loading by large volcanoes on Venus

Magellan radar imaging and topography data are now available for a number of volcanoes on Venus greater than 100 km in radius. These data can be examined to reveal evidence of the flexural response of the lithosphere to the volcanic load. On Venus, erosion and sediment deposition are negligible, so tectonic evidence of deformation around large volcanoes should be evident except where buried by very young flows. Radar images reveal that most tectonic features and flow units on the flanks of these volcanoes have predominantly radial orientations. However, both Tepev Mons in Bell Regio and Sapas Mons in Atla Regio exhibit circumferential graben on their flanks. In addition, images reveal several flow units with an annular character around the north and west flanks of Tepev Mons. This pattern most likely results from ponding of flows in an annular flexural moat. Maat Mons in Atla Regio and Sif Mons in Eistla Regio are examples of volcanoes that lack circumferential graben and annular flows; discernible flow units and fractures on these constructs appear to be predominantly radial. Altimetry data can also provide evidence of flexural response. Tepev Mons is partially encircled by depressions that may be sections of a flexural moat that has not been completely filled. The locations of these depressions generally coincide with the annular flows described above. There is weaker evidence for such depressions around Maat Mons as well. The lack of circumferential tectonic features around most volcanoes on Venus might be explained by gradual moat filling and coverage by radial flows. The depressions around Tepev (and possible Maat) may indicate that this process is currently continuing. We use analytic models of plate flexure in an axisymmetric geometry to constrain the elastic plate thickness supporting Tepev Mons. If we consider the outer radius of the ponded flows to be the edge of a moat, we find that models with elastic plate thickness of 10-20 km fit best. Finite element models of a volcanic load detached from the underlying lithosphere predict overthrusting and radial normal faulting at the volcano's edge. Such a mechanism for the formation of radial rift zones on Venus volcanoes would make such features analogous to structures on the flanks of volcanoes on Earth.

Mcgovern, Patrick J.↗

Low-speed wind-tunnel investigation of the stability and control characteristics of a series of flying wings with sweep angles of 70 deg

A wind-tunnel investigation was conducted in the Langley 12-Foot Low-Speed Tunnel to study the low-speed stability and control characteristics of a series of four flying wings over an extended range of angle of attack (-8 deg to 48 deg). Because of the current emphasis on reducing the radar cross section (RCS) of new military aircraft, the planform of each wing was composed of lines swept at a relatively high angle of 70 deg, and all the trailing edges and control surface hinge lines were aligned with one of the two leading edges. Three arrow planforms with different aspect ratios and one diamond planform were tested. The models incorporated leading-edge flaps for improved longitudinal characteristics and lateral stability and had three sets of trailing-edge flaps that were deflected differentially for roll control, symmetrically for pitch control, and in a split fashion for yaw control. Three top body widths and two sizes of twin vertical tails were also tested on each model. A large aerodynamic database was compiled that could be used to evaluate some of the trade-offs involved in the design of a configuration with a reduced RCS and good flight dynamic characteristics.

Ross, Holly M.↗

Low-speed wind tunnel investigation of the stability and control characteristics of a series of flying wings with sweep angles of 60 deg

A wind tunnel investigation was conducted in the Langley 12-Foot Low-Speed Wind Tunnel to study the low-speed stability and control characteristics of a series of four flying wings over an extended range of angle of attack (-8 deg to 48 deg). Because of the current emphasis on reducing the radar cross section of new military aircraft, the planform of each wing was composed of lines swept at a relatively high angle of 60 deg, and all the trailing-edge lines were aligned with one of the two leading edges. Three arrow planforms with different aspect ratios and one diamond planform were tested. The models incorporated leading-edge flaps for improved pitching-moment characteristics and lateral stability and had three sets of trailing-edge flaps that were deflected differentially for roll control, symmetrically for pitch control, and in a split fashion for yaw control. Top bodies of three widths and twin vertical tails of various sizes and locations were also tested on each model. A large aerodynamic database was compiled that could be used to evaluate some of the trade-offs involved in the design of a configuration with a reduced radar cross section and good flight dynamic characteristics.

Moul, Thomas M.↗

Implications of Weak Link Effects on Thermal Characteristics of Transition-Edge Sensors

Weak link behavior in transition-edge sensor (TES) devices creates the need for a more careful characterization of a device's thermal characteristics through its transition. This is particularly true for small TESs where a small change in the measurement current results in large changes in temperature. A highly current-dependent transition shape makes accurate thermal characterization of the TES parameters through the transition challenging. To accurately interpret measurements, especially complex impedance, it is crucial to know the temperature-dependent thermal conductance, G(T), and heat capacity, C(T), at each point through the transition. We will present data illustrating these effects and discuss how we overcome the challenges that are present in accurately determining G and T from IV curves. We will also show how these weak link effects vary with TES size.

Bailey, Catherine↗