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At least 1,567 records · Page 87

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DOE OSTI2024

Understanding aerosol–cloud interactions using a single-column model for a cold-air outbreak case during the ACTIVATE campaign

Marine boundary layer clouds play a critical role in Earth's energy balance. Their microphysical and radiative properties are highly impacted by ambient aerosols and dynamic forcings. In this study, we evaluate the representation of these clouds and related aerosol–cloud interaction processes in the single-column version of the E3SM climate model (SCM) against field measurements collected during the NASA ACTIVATE campaign over the western North Atlantic, as well as intercompare results with high-resolution process level models. We show that E3SM SCM reproduces the macrophysical properties of post-frontal boundary layer clouds in a cold-air outbreak (CAO) case well. However, it generates fewer but larger cloud droplets compared to aircraft measurements. Further sensitivity tests show that the underestimation of both aerosol number concentration and vertical velocity variance contributes to this bias. Aerosol–cloud interactions are examined by perturbing prescribed aerosol properties in E3SM SCM with fixed dynamics. Higher aerosol number concentration or hygroscopicity leads to more numerous but smaller cloud droplets, resulting in a stronger cooling via shortwave cloud forcing. This apparent Twomey effect is consistent with prior climate model studies. The cloud liquid water path shows a weakly positive relation with cloud droplet number concentration due to precipitation suppression. This weak aerosol effect on cloud macrophysics may be attributed to the dominant impact of strong dynamical forcing associated with the CAO. Our findings indicate that the SCM framework is a key tool to bridge the gap between climate models, process level models, and field observations to facilitate process level understanding.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Geometric frustration of Jahn–Teller order in the infinite-layer lattice

The Jahn–Teller effect, in which electronic configurations with energetically degenerate orbitals induce lattice distortions to lift this degeneracy, has a key role in many symmetry-lowering crystal deformations. Lattices of Jahn–Teller ions can induce a cooperative distortion, as exemplified by LaMnO 3 . Although many examples occur in octahedrally or tetrahedrally coordinated transition metal oxides due to their high orbital degeneracy, this effect has yet to be manifested for square-planar anion coordination, as found in infinite-layer copper, nickel, iron and manganese oxides. Here, for this work, we synthesize single-crystal CaCoO 2 thin films by topotactic reduction of the brownmillerite CaCoO 2.5 phase. We observe a markedly distorted infinite-layer structure, with ångström-scale displacements of the cations from their high-symmetry positions. This can be understood to originate from the Jahn–Teller degeneracy of the d xz and d yz orbitals in the d 7 electronic configuration along with substantial ligand–transition metal mixing. A complex pattern of distortions arises in a $2\sqrt2$ x $2\sqrt2$ x $1$ tetragonal supercell, reflecting the competition between an ordered Jahn–Teller effect on the CoO 2 sublattice and the geometric frustration of the associated displacements of the Ca sublattice, which are strongly coupled in the absence of apical oxygen. As a result of this competition, the CaCoO 2 structure forms an extended two-in–two-out type of Co distortion following ‘ice rules’.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1988

A hybrid computational approach to multiple-body viscous flow problems - Application to large-eddy breakup in a boundary layer

By combining stream-function and integral-velocity formulations, the hybrid computational procedure is rendered applicable to unsteady, two-dimensional flows about multiple bodies; the bodies in the flow are replaced by distributions of bound vorticity over their surfaces. By expressing the rotational velocity field generated by the free vorticity in terms of the stream function, stream function boundary conditions are required only on the periphery of the computational domain. The procedure is employed in the simulation of coherent eddy breakup by a single flat plate that is embedded in a viscous boundary layer, exhibiting significant unsteady flow features through the graphical presentation of vorticity contours.

Kinney, R. B.↗

NASA NTRS1993

Fingerprinting the K/T impact site and determining the time of impact by U-Pb dating of single shocked zircons from distal ejecta

U-Pb isotopic dating of single 1 - 3 micrograms zircons from K/T distal ejecta from a site in the Raton Basin, Colorado provides a powerful new tool with which to determine both the time of the impact event and the age of the basement at the impact site. Data for the least shocked zircons are slightly displaced from the 544 +/- 5 Ma primary age for a component of the target site, while those for highly shocked and granular grains are strongly displaced towards the time of impact at 65.5 +/- 3.0 Ma. Such shocked and granular zircons have never been reported from any source, including explosive volcanic rocks. Zircon is refractory and has one of the highest thermal blocking temperatures; hence, it can record both shock features and primary and secondary ages without modification by post-crystallization processes. Unlike shocked quartz, which can come from almost anywhere on the Earth's crust, shocked zircons can be shown to come from a specific site because basement ages vary on the scale of meters to kilometers. With U-Pb zircon dating, it is now possible to correlate ejecta layers derived from the same target site, test the single versus multiple impact hypothesis, and identify the target source of impact ejecta. The ages obtained in this study indicate that the Manson impact site, Iowa, which has basement rocks that are mid-Proterozoic in age, cannot be the source of K/T distal ejecta. The K/T distal ejecta probably originated from a single impact site because most grains have the same primary age.

Krogh, T. E.↗

NASA NTRS2002

Experimental Investigation of Transition to Turbulence as Affected by Passing Wakes

Experimental results from a study of the effects of passing wakes upon laminar-to-turbulent transition in a low-pressure turbine passage are presented. The test section geometry is designed to simulate the effects of unsteady wakes resulting from rotor-stator interaction upon laminar-to-turbulent transition in turbine blade boundary layers and separated flow regions over suction surfaces. Single-wire, thermal anemometry techniques were used to measure time- resolved and phase-averaged, wall-normal profiles of velocity, turbulence intensity, and intermittency at multiple streamwise locations over the turbine airfoil suction surface. These data are compared to steady state, wake-free data collected in the same geometry to identify the effects of wakes upon laminar-to-turbulent transition. Results are presented for flows with a Reynolds number based on suction surface length and exit velocity of 50,000 and an approach flow turbulence intensity of 2.5 percent. From these data, the effects of passing wakes and associated increased turbulence levels and varying pressure gradients on transition and separation in the near-wall flow are presented. The results show that the wakes affect transition both by virtue of their difference in turbulence level from that of the free-stream but also by virtue of their velocity deficit relative to the freestream velocity, and the concomitant change in angle of attack and temporal pressure gradients. The results of this study seem to support the theory that bypass transition is a response of the near-wall viscous layer to pressure fluctuations imposed upon it from the free-stream flow. The data also show a significant lag between when the wake is present over the surface and when transition begins. The accompanying CD-ROM includes tabulated data, animations, higher resolution plots, and an electronic copy of this report.

Kaszeta, Richard W.↗

NASA NTRS2002

Experimental Investigation of Transition to Turbulence as Affected by Passing Wakes

Experimental results from a study of the effects of passing wakes upon laminar-to-turbulent transition in a low-pressure turbine passage are presented. The test section geometry is designed to simulate the effects of unsteady wakes resulting from rotor-stator interaction upon laminar-to-turbulent transition in turbine blade boundary layers and separated flow regions over suction surfaces. Single-wire, thermal anemometry techniques were used to measure time-resolved and phase-averaged, wall-normal profiles of velocity, turbulence intensity, and intermittency at multiple streamwise locations over the turbine airfoil suction surface. These data are compared to steady state, wake-free data collected in the same geometry to identify the effects of wakes upon laminar-to-turbulent transition. Results are presented for flows with a Reynolds number based on suction surface length and exit velocity of 50,000 and an approach flow turbulence intensity of 2.5 percent. From these data, the effects of passing wakes and associated increased turbulence levels and varying pressure gradients on transition and separation in the near-wall flow are presented. The results show that the wakes affect transition both by virtue of their difference in turbulence level from that of the free-stream but also by virtue of their velocity deficit relative to the freestream velocity, and the concomitant change in angle of attack and temporal pressure gradients. The results of this study seem to support the theory that bypass transition is a response of the near-wall viscous layer to pressure fluctuations imposed upon it from the free-stream flow. The data also show a significant lag between when the wake is present over the surface and when transition begins. The accompanying CD-ROM includes tabulated data, animations, higher resolution plots, and an electronic copy of this report.

Kaszeta, Richard W.↗

DOE OSTI2023

Atomic Layer Deposition for Spatial Control of Redox Reaction Selectivity

Photocatalytic water splitting holds great potential in the pursuit of the U.S. Department of Energy's Hydrogen Shot initiative to bring the cost of H2 to $1/kg by 2031. A key challenge in the development of photocatalysts is increasing their overall solar-to-hydrogen efficiency by enhancing charge separation yields and redox selectivity. In this work, we use area selective ALD of oxide films to develop tunable interphase layers for selective oxidation and reduction reactions on a single substrate. This presentation details initial synthesis and characterization of Pt- and Au-based planar thin film electrodes in which Au regions were deactivated towards ALD growth through self-assembled thiol monolayers. The suppression of TiO2 ALD selectivity of thiols was assessed through ellipsometry, X-ray photoelectron spectroscopy (XPS), and cyclic voltammetry. A patterned planar sample comprised of interdigitated arrays of Au and Pt, used as a surrogate for a photocatalyst particle containing two different co-catalysts, was exposed to ALD growth and removal of the inhibitor species. Scanning electrochemical microscopy (SECM) was used then to probe the local activity of different regions of the patterned surface towards the hydrogen evolution reaction (HER) and iron oxidation and correlated with the ionic and e- blocking effects of the area selective ALD coating. We will also detail the application of these findings to the ongoing development of 3D, particle-based photocatalysts.

atomic layer deposition↗

NASA NTRS2004

Impact Crater Abundance of the Martian South Polar Layered Deposits from THEMIS Visible Imaging

The polar layered deposits (PLD) of Mars have attracted considerable attention since their identification in Mariner 9 images, largely due to the possibility that these finely layered, volatile-rich deposits hold a record of recent eras in Martian climate history. The PLD have been a target of imaging and other sensors in the last several decades, but only recently has it been possible to obtain a moderately high resolution image map, using the visible sensor on 2001 Mars Odyssey's Thermal Emission Imaging System (THEMIS). THEMIS has acquired a 36 meter/pixel contiguous single-band visible image data set of the south polar layered deposits (SPLD), during the southern spring in 2003. The data will undoubtedly be applied to many problems in Mars polar studies. We use these images to further characterize the population of impact craters on the SPLD, and the implications of the observed population for the age and evolution of the SPLD.

Plaut, J. J.↗

DOE OSTI2021

Zero-Valent Palladium Single-Atoms Catalysts Confined in Black Phosphorus for Efficient Semi-Hydrogenation

Single-atom catalysts (SACs) represent a new frontier in heterogeneous catalysis due to their remarkable catalytic properties and maximized atomic utilization. However, single atoms often bond to the support with polarized electron density and thus exhibit a high valence state, limiting their catalytic scopes in many chemical transformations. In this study, it is demonstrated that 2D black phosphorus (BP) acts as giant phosphorus (P) ligand to confine a high density of single atoms (e.g., Pd 1 , Pt 1 ) via atomic layer deposition. Unlike other 2D materials, BP with relatively low electronegativity and buckled structure favors the strong confinement of robust zero-valent palladium SACs in the vacancy site. Metallic Pd 1 /BP SAC shows a highly selective semi-hydrogenation of phenylacetylene toward styrene, distinct from metallic Pd nanoparticles that facilitate the formation of fully hydrogenated products. Density functional theory calculations reveal that Pd atom forms covalent-like bonding with adjacent P atoms, wherein H atoms tend to adsorb, aiding the dissociative adsorption of H 2 . Zero-valent Pd in the confined space favors a larger energy gain for the synthesis of partially hydrogenated product over the fully hydrogenated one. This work provides a new route toward the synthesis of zero-valent SACs on BP for organic transformations.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Intrinsic exchange biased anomalous Hall effect in an uncompensated antiferromagnet MnBi 2 Te 4

Achieving spin-pinning at the interface of hetero-bilayer ferromagnet/antiferromagnet structures in conventional exchange bias systems can be challenging due to difficulties in interface control and the weakening of spin-pinning caused by poor interface quality. In this work, we propose an alternative approach to stabilize the exchange interaction at the interface of an uncompensated antiferromagnet by utilizing a gradient of interlayer exchange coupling. We demonstrate this exchange interaction through a designed field training protocol in the odd-layer topological antiferromagnet MnBi 2 Te 4 . Our results reveal a remarkable field-trained exchange bias of up to ~ 400 mT, which exhibits high repeatability and can be easily reset by a large training field. Notably, this field-trained exchange bias effect persists even with zero-field initialization, presenting a stark contrast to the traditional field-cooled exchange bias. The highly tunable exchange bias observed in this single antiferromagnet compound, without the need for an additional magnetic layer, provides valuable insight into the exchange interaction mechanism. These findings pave the way for the systematic design of topological antiferromagnetic spintronics.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Preparation of metal chalcogenides

A method embodiment involves preparing single metal or mixed transition metal chalcogenide using exfoliation of two or more different bulk transition metal dichalcogenides in a manner to form an intermediate hetero-layered transition metal chalcogenide structure, which can be treated to provide a single-phase transition metal chalcogenide.

Balema, Viktor↗

DOE OSTI2024

Preparation of metal chalcogenides

Balema, Viktor↗

NASA NTRS2003

THEMIS Visible Imaging of the South Polar Layered Deposits, Martian Southern Spring, 2003

The polar layered deposits (PLD) of Mars have attracted considerable attention since their identification in Mariner 9 images, largely due to the possibility that these finely layered, volatile-rich deposits hold a record of recent eras in Martian climate history. The PLD have been a target of imaging and other sensors in the last several decades, but only recently has it been possible to obtain a moderately high resolution image map, using the visible sensor on 2001 Mars Odyssey s Thermal Emission Imaging System (THEMIS). We report here on the acquisition of a 36 meter/pixel contiguous single-band visible image data set of the south polar layered deposits (SPLD), obtained during early southern spring in 2003. The data will undoubtedly be applied to many problems in Mars polar studies. We will discuss here, and in more detail at the Conference, the use of these images to further characterize the population of impact craters on the SPLD, and the implications of the observed population for the age and evolution of the SPLD.

Plaut, J. J.↗

NASA NTRS2003

Themis Visible Imaging of the South Polar Layered Deposits, Martian Southern Spring, 2003

The polar layered deposits (PLD) of Mars have attracted considerable attention since their identification in Mariner 9 images, largely due to the possibility that these finely layered, volatile-rich deposits hold a record of recent eras in Martian climate history. The PLD have been a target of imaging and other sensors in the last several decades, but only recently has it been possible to obtain a moderately high resolution image map, using the visible sensor on 2001 Mars Odyssey's Thermal Emission Imaging System (THEMIS). We report here on the acquisition of a 36 meter/pixel contiguous single-band visible image data set of the south polar layered deposits (SPLD), obtained during early southern spring in 2003. The data will undoubtedly be applied to many problems in Mars polar studies.

Mariner 9↗

NASA NTRS1986

Boundary layer control by acoustic excitation

An experimental program in which the effectiveness of a single large eddy break-up device (LEBU) blade is enhanced by proper acoustic excitation is described. An acoustic pulse, phase-locked to the incident large eddies and directed at the LEBU can enhance the large eddy cancellation process and can in effect lead to a decrease in the skin friction coefficient. Cross-correlation data and turbulence intensity measurements show that this acoustic excitation causes eddy cancellation at the trailing edge of the manipulator plate. It is concluded that both reduced turbulent boundary layer mixing and significant drag reduction can be achieved upon proper acoustic input to a LEBU.

Papathanasiou, A. G.↗

DOE OSTI2020

Effectiveness of Rain Cleaning on Artificially Soiled PV Modules With and Without Anti-Soiling Coatings

A simple, inexpensive methodology for testing the effectiveness of rain cleaning on artificially soiled single-cell and multi-cell photovoltaic (PV) modules having anti-soiling coatings has been developed. Using an indoor soil deposition chamber and methodology as described in our previously published work, multiple layers of soil were deposited on to the glass surface of single-cell PV modules subjected to controlled temperature and humidity cycles. Three single-cell monocrystalline PV modules are reported in this study, two of which had different anti-soiling (AS) coatings applied to the surface and the third did not have any AS coating. The set-up and operation of a rain-simulator is described as well as the rain cleaning parameters the PV test modules were exposed to. The purpose of this work is to determine the effectiveness of anti-soiling coatings and cleaning techniques, so vendor claims can be quantitatively validated using an appropriately controlled soil deposition chamber and a rain simulating spray nozzle.

14 SOLAR ENERGY↗

NASA NTRS1991

Generalized multi-point inverse airfoil design

In a rather general sense, inverse airfoil design can be taken to mean the problem of specifying a desired set of airfoil characteristics, such as the airfoil maximum thickness ratio, pitching moment, part of the velocity distribution or boundary-layer development, etc., then from this information determine the corresponding airfoil shape. This paper presents a method which approaches the design problem from this perspective. In particular, the airfoil is divided into segments along which, together with the design conditions, either the velocity distribution or boundary-layer development may be prescribed. In addition to these local desired distributions, single parameters like the airfoil thickness can be specified. The problem of finding the airfoil shape is determined by coupling an incompressible, inviscid, inverse airfoil design method with a direct integral boundary-layer analysis method and solving the resulting nonlinear equations via a multidimensional Newton iteration technique. The approach is fast and easily allows for interactive design. It is also flexible and could be adapted to solving compressible, inverse airfoil design problems.

Selig, Michael S.↗

DOE OSTI2025

Single nuclear spin detection and control in a van der Waals material

Optically active spin defects in solids are leading candidates for quantum sensing and quantum networking. Recently, single spin defects were discovered in hexagonal boron nitride (hBN), a layered van der Waals (vdW) material. Owing to its two-dimensional structure, hBN allows spin defects to be positioned closer to target samples than in three-dimensional crystals, making it ideal for atomic-scale quantum sensing, including nuclear magnetic resonance (NMR) of single molecules. However, the chemical structures of these defects remain unknown and detecting a single nuclear spin with a hBN spin defect has been elusive. Here we report the creation of single spin defects in hBN using 13 C ion implantation and the identification of three distinct defect types based on hyperfine interactions. We observed both S = 1/2 and S = 1 spin states within a single hBN spin defect. We demonstrated atomic-scale NMR and coherent control of individual nuclear spins in a vdW material, with a π-gate fidelity up to 99.75% at room temperature. By comparing experimental results with density functional theory (DFT) calculations, we propose chemical structures for these spin defects. Our work advances the understanding of single spin defects in hBN and provides a pathway to enhance quantum sensing using hBN spin defects with nuclear spins as quantum memories.

Quantum metrology↗