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At least 469 records · Page 26

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DOE OSTI2021

Understanding the Selective Deposition of Li Metal on Nonuniform Electrode Surfaces Using Atomic Force Microscopy

The use of lithium metal in secondary batteries has been impeded by its tendency to form dendrites: branching conductive structures of metal that can lead to capacity loss and, ultimately, internal shorts in the battery. Patterned electrodes, in addition to artificially increasing the current density of cells by increasing the surface area available for reaction, also generate a nonuniform electric field in the vicinity of the electrode surface. This nonuniform electric field, though rapidly screened by the electrolyte, can promote inhomogeneous deposition and Solid Electrolyte Interphase formation. As the consequence of these effects is not theoretically apparent since Solid Electrolyte Interphase volume and conductivity changes can, in principle, offset variations in local current density, we have performed experiments to examine the deposition of Li on nonuniform electrode surfaces using Atomic Force Microscopy. In this work, we measure the local variations in topography, SEI thickness, and composition, and discuss their implications for the formation of dendrites in Li metal.

25 ENERGY STORAGE↗

DOE OSTI2020

Synergetic Use of the WSR-88D Radars, GOES-R Satellites, and Lightning Networks to Study Microphysical Characteristics of Hurricanes

Abstract This study analyzes the microphysics and precipitation pattern of Hurricanes Harvey (2017) and Florence (2018) in both the eyewall and outer rainband regions. From the retrievals by a satellite red–green–blue scheme, the outer rainbands show a strong convective structure while the inner eyewall has less convective vigor (i.e., weaker upper-level reflectivities and electrification), which may be related to stronger vertical wind shear that hinders fast vertical motions. The WSR-88D column-vertical profiles further confirm that the outer rainband clouds have strong vertical motion and large ice-phase hydrometeor formation aloft, which correlates well with 3D Lightning Mapping Array source counts in height and time. From the results from this study, it is determined that the inner eyewall region is dominated by warm rain, whereas the external rainband region contains intense mixed-phase precipitation. External rainbands are defined here as those that reside outside of the main hurricane circulation, associated with surface tropical storm wind speeds. The synergy of satellite and radar dual-polarization parameters is instrumental in distinguishing between the key microphysical features of intense convective rainbands and the warm-rain-dominated eyewall regions within the hurricanes. Substantial amounts of ice aloft and intense updrafts in the external rainbands are indicative of heavy surface precipitation, which can have important implications for severe weather warnings and quantitative precipitation forecasts. The novel part of this study is to combine ground-based radar measurement with satellite observations to study hurricane microphysical structure from surface to cloud top so as to fill in the gaps between the two observational techniques.

Meteorology & Atmospheric Sciences↗

DOE OSTI2024

Generation of shear flows induced by AE / EPM in LHD plasma

The generation of shear flows (SFs) by Alfven Eigenmodes (AEs) and energetic particle modes (EPMs) have important effects on the operation of future nuclear fusion reactors, because SFs regulate the saturation of the AEs/EPMs, the transport of EPs and thermal plasma, as well as the formation of transport barriers among other consequences. The aim of this study is the analysis of SFs generation during the saturation phase of AEs and EPMs in LHD plasma. Experiments performed in the 23rd and 24th LHD experimental campaigns are dedicated to explore the destabilization of AEs/EPMs in discharges with different heating patterns, thermal plasma and magnetic field configurations. In particular, the shots 176490 and 179697 show the destabilization of MHD bursts and energetic-ion-driven resistive interchange modes (EIC), respectively. Charge exchange spectroscopy measurements in both discharges indicate that the generation of SFs by AE/EPM is uncorrelated with the perturbation induced by the neutral beam injector (NBI). Nonlinear simulations performed using the gyro-fluid code FAR3d show the generation of zonal structures, especially SFs, induced during the saturation phase of Toroidal Alfven Eigenmodes (TAEs) triggered in the MHD burst as well as by the 1/1 EIC in the bursting phase. The simulations indicate that SFs are caused by the radial electric fields powered by energy transfers from the unstable AE/EPM towards the thermal plasma. The strongest SFs are measured during the EIC bursting phase once the 1/1 EPM overlaps with nearby resonances at the plasma periphery. Likewise, the largest SFs during the MHD burst are observed once TAEs radially overlap in the inner-middle plasma region.

AE↗

DOE OSTI2022

Modulation of North Atlantic Polar Low Activity and Associated Flow Patterns by Sudden Stratospheric Warmings

Abstract Polar lows (PLs) are intense maritime mesoscale cyclones that can pose hazards to coastal communities and marine operation in the Arctic. This study examines the impacts of sudden stratospheric warmings (SSWs) on PL activity in the subarctic North Atlantic. The 20 days following SSWs are characterized by tropospheric circulation anomalies resembling the negative phase of the North Atlantic Oscillation. PL activity decreases significantly over the Labrador Sea, which can be attributed to the infrequent occurrence of low static stability and strong environmental baroclinicity, as well as reduced surface turbulent heat fluxes. These results suggest that a skillful prediction of SSWs can improve the extended-range forecast of PL activity over the Labrador Sea. For the Nordic seas, the results imply that the spatial structure of an SSW event is important for the PL modulation through different tropospheric circulation patterns. Situations with increased PL frequency in the Nordic seas are characterized by SSWs centered close to northern Greenland occurring over a smaller area, and a tropospheric response featuring enhanced cold-air outbreaks over the Norwegian Sea. Conversely, PL activity is suppressed over the Nordic seas when the SSW favors the formation of a tropospheric anticyclone above Greenland and Scandinavia. Significance Statement This study investigates the relationships between polar lows (PLs) and sudden stratospheric warmings (SSWs) over the subarctic North Atlantic. A better understanding of the effect of SSWs on PL development has the potential to improve extended-range forecasts of PLs. It is shown that SSWs are responsible for the significantly suppressed regional PL activity over the Labrador Sea, suggesting that SSWs can serve as a predictor for the extended-range forecast of PLs over this region. Following SSW events, the thermodynamic state of atmosphere becomes more stable over the Labrador Sea and hinders the convective development of PLs. For the northern Nordic seas, the impacts of SSWs on PL activity are sensitive to the spatial structure of stratospheric warming.

Chang, Chuan-Chieh↗

DOE OSTI2024

Effect of Cathode Cooling in Three-Dimensional Simulations of an Atmospheric Pressure Glow Discharge

The Atmospheric Pressure Glow Discharge (APGD) is a relatively simple and versatile plasma source used in a wide range of applications. Active cooling of the cathode can effectively mitigate instabilities, leading to glow-to-arc transitions. This study investigates the effect of varying the degree of cathode cooling in APGD with a planar cathode in helium. The plasma flow model incorporates mass conservation, chemical species transport, momentum conservation, conservation of thermal energy of heavy species and of electrons, and electrostatics. The model is applied to time-dependent simulations through a three-dimensional computational domain describing the whole discharge, without geometric symmetry or steady-state assumptions. Simulations of an experimentally characterized APGD explore the effects of electric current and cathode cooling—ranging from thermally insulated to extreme convective cooling. Results show the formation of an annular region with high electric field over the cathode surface under conditions of high current and low cooling.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

The Diffusion Mechanism of Ge During Oxidation of Si/SiGe Nanofins

A recently discovered, enhanced Ge diffusion mechanism along the oxidizing interface of Si/SiGe nanostructures has enabled the formation of single-crystal Si nanowires and quantum dots embedded in a defect-free, single-crystal SiGe matrix. Here, we report oxidation studies of Si/SiGe nanofins aimed at gaining a better understanding of this novel diffusion mechanism. Here, a superlattice of alternating Si/Si 0.7 Ge 0.3 layers was grown and patterned into fins. After oxidation of the fins, the rate of Ge diffusion down the Si/SiO 2 interface was measured through the analysis of HAADF-STEM images. The activation energy for the diffusion of Ge down the sidewall was found to be 1.1 eV, which is less than one-quarter of the activation energy previously reported for Ge diffusion in bulk Si. Through a combination of experiments and DFT calculations, we propose that the redistribution of Ge occurs by diffusion along the Si/SiO 2 interface followed by a reintroduction into substitutional positions in the crystalline Si.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Data Product: Ka ARM Zenith Radar (KAZR), in CfRadial format: precipitation mode, corrected

The KAZRCFRCOR Value Added Product (VAP) performs several corrections to the ingested KAZR data and also creates a significant detection mask for each radar mode. The VAP computes gaseous attenuation as a function of time and radial distance from the radar antenna, based on ambient relative humidity, and corrects observed reflectivities for that effect. KAZR reflectivities are also corrected in the antenna ‘nearfield’ range to compensate for the near-field antenna pattern and gain. KAZRCFRCOR also dealiases mean Doppler velocities, to correct velocities whose magnitudes exceed the radar’s Nyquist velocity. This dataset contains the 'kazrpr' (precipitation) mode output from this VAP.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Data Product: Ka ARM Zenith Radar (KAZR), in CfRadial format: general mode, corrected

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Data Product: Ka ARM Zenith Radar (KAZR), in CfRadial format: moderate sensitivity mode, corrected

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Plasticity-mediated deformation instabilities in thin film-compliant substrate systems: direct three-dimensional simulations

Abstract Surface wrinkles driven by mechanical instability commonly form in thin-film structures attached to a compliant substrate. In this study, a recently developed computational approach is employed to simulate the formation and transformation of wrinkles involving plastic yielding of the thin film. The three-dimensional (3D) finite element models contain an embedded imperfection at the film-substrate interface, serving to trigger the bifurcation modes. Successful application of this technique to allow for film plasticity is demonstrated, including the evolution of 3D surface patterns and their correlation with the overall load–displacement response. The simulations reveal that plastic yielding transforms the surface instability patterns into more localized forms. Under uniaxial loading, the sinusoidal elastic wrinkles undergo the wrinkle-to-fold transition. With equi-biaxial loading, the initial square-checkerboard array turns into continuous tall ridges along the 45° directions. In both loading modes, the plasticity-induced instability patterns are only partially relieved upon unloading, leaving permanent features on the surface.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Origin of dislocation structures in an additively manufactured austenitic stainless steel 316L

In this experiment, the origin of dislocation structures in AM stainless steels was systematically investigated by controlling the effect of thermal stress through geometric constraints for the first time. Stainless steel 316L parts were produced in the form of “1D” rods, “2D” walls, and "3D" rectangular prisms to evaluate the effect of constraints to thermal expansion/shrinkage on the development of defect microstructures and to elucidate the origin of additively manufactured (AM) dislocation microstructures. Dislocation density, organization, chemical micro-segregation, precipitate structures, and misorientations were analyzed as a function of increasing constraints around solidifying material in 1D, 2D, and 3D components built using both directed energy deposition (DED) and powder-bed selective laser melting (SLM). In DED parts, the dislocation density was not dependent on local misorientations or micro-segregation patterns, but evolved from approximately ρ ⊥ = 10 12 m -2 in 1D parts to ρ ⊥ = 10 14 m -2 in 3D parts, indicating that it is primarily thermal distortions that produce AM dislocation structures. In DED 3D parts and SLM parts, dislocation densities were highest (ρ ⊥ ≈ 10 14 m -2 ) and corresponded to the formation of dislocation cells approximately 300-450 nm in diameter. Dislocation cells overlapped with dendrite micro-segregation in some but not all cases. The results illustrate that dendritic micro-segregation, precipitates, or local misorientations influence how the dislocations organize during processing, but are not responsible for producing the organized cell structures. Furthermore, this work shows that AM dislocation structures originate due to thermal distortions during printing, which are primarily dictated by constraints surrounding the melt pool and thermal cycling.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Effects of deposition and annealing conditions on the crystallisation of NiTi thin films by e-beam evaporation

This Letter demonstrates the effects of deposition and annealing conditions on the crystallisation of nickel–titanium (NiTi) thin films deposited by the e-beam evaporation. NiTi thin films of 0.5 μm thick are fabricated on P-type (110) silicon substrates using the e-beam evaporation technique. We find that with the characterisations using the X-ray diffraction method, the results indicate that low e-beam deposition rate and argon employed annealing procedures can be beneficial to the formation of NiTi crystalline structure. Additionally, the as-deposited NiTi thin films without annealing procedures are amorphous, when deposited on the substrates at low temperatures. The differential scanning calorimetry studies show NiTi thin films formed by the e-beam evaporation are Ni-rich. Furthermore, SEM images illustrate that high-precision patterned NiTi thin film microstructures can be fabricated by combining with the e-beam evaporation and lift-off resist methods, without any wet or dry etching procedures. The proposed fabrication process for NiTi thin film microstructures shows great potential for application in shape memory alloy medical devices, as well as the micro-robotics.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Probing the early Milky Way with GHOST spectra of an extremely metal-poor star in the Galactic disc

ABSTRACT Pristine_183.6849 + 04.8619 (P1836849) is an extremely metal-poor ([Fe/H] = −3.3 ± 0.1) star on a prograde orbit confined to the Galactic disc. Such stars are rare and may have their origins in protogalactic fragments that formed the early Milky Way, in low-mass satellites accreted later, or forming in situ in the Galactic plane. Here, we present a chemo-dynamical analysis of the spectral features between 3700−11 000 Å from a high-resolution spectrum taken during Science Verification of the new Gemini High-resolution Optical SpecTrograph. Spectral features for many chemical elements are analysed (Mg, Al, Si, Ca, Sc, Ti, Cr, Mn, Fe, Ni), and valuable upper limits are determined for others (C, Na, Sr, Ba). This main sequence star exhibits several rare chemical signatures, including (i) extremely low metallicity for a star in the Galactic disc, (ii) very low abundances of the light α-elements (Na, Mg, Si) compared to other metal-poor stars, and (iii) unusually large abundances of Cr and Mn, where [Cr, Mn/Fe]NLTE > +0.5. A comparison to theoretical yields from supernova models suggests that two low-mass Population III objects (one 10 M⊙ supernova and one 17 M⊙ hypernova) can reproduce the abundance pattern well (reduced χ2 < 1). When this star is compared to other extremely metal-poor stars on quasi-circular, prograde planar orbits, differences in both chemistry and kinematics imply there is little evidence for a common origin. The unique chemistry of P1836849 is discussed in terms of the earliest stages in the formation of the Milky Way.

Dovgal, Anya↗

DOE OSTI2021

Orientational Ordering within Semiconducting Polymer Fibrils

Abstract Due to a general paucity of suitable characterization methods, the internal orientational ordering of polymer fibrils has rarely been measured despite its importance particularly for semi‐conducting polymers. An emerging tool with sensitivity to bond orientation is polarized resonant soft X‐ray scattering (P‐RSoXS). Here, P‐RSoXS reveals the molecular arrangement within fibrils (if type I or type II fibrils), the extent of orientation in the fibril crystal, and an explicit crystal‐amorphous interphase. Neat films as well as binary blends with a fullerene derivative are characterized for three different polymers, that are prototypical materials widely used in organic electronics applications. Anisotropic P‐RSoXS patterns reveal two different fibril types. Analysis of the q ‐dependence of the anisotropy from simulated and experimental scattering patterns reveal that neat polymer fibrillar systems likely comprise more than two phases, with the third phase in addition to crystal and amorphous likely being an interphase with distinct density and orientation. Intriguingly, the fibril type correlates to the H‐ or J‐aggregation signature in ultraviolet‐visible (UV–vis) spectroscopy, revealing insight into the fibril formation. Together, the results will open the door to develop more sophisticated structure‐function relationships between chemical design, fibril type, formation pathways and kinetics, interfacial ordering, and eventually device functions.

Mukherjee, Subhrangsu↗

DOE OSTI2023

Artificial Intelligence Guided Studies of van der Waals Magnets

A materials informatics framework to explore a large number of candidate van der Waals (vdW) materials is developed. In particular, in this study a large space of monolayer transition metal halides is investigated by combining high-throughput density functional theory calculations and artificial intelligence (AI) to accelerate the discovery of stable materials and the prediction of their magnetic properties. Here, the formation energy is used as a proxy for chemical stability. Semi-supervised learning is harnessed to mitigate the challenges of sparsely labeled materials data in order to improve the performance of AI models. This approach creates avenues for the rapid discovery of chemically stable vdW magnets by leveraging the ability of AI to recognize patterns in data, to learn mathematical representations of materials from data and to predict materials properties. Using this approach, previously unexplored vdW magnetic materials with potential applications in data storage and spintronics are identified.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Initial Stage of Nanoscale Imaging in Positive Tone Extreme UV Photoresists: The Influence of the Polymer Sequence

Photolithographic patterning using extreme ultraviolet (EUV, 92.5 eV) light is a radiolytic process that initially forms electrons, radical cations, anions, and neutral radicals in the polymeric photoresist matrix. These species may participate in the chemical reactions that define the ultimate resolution of the printed image, and their concentrations and nanometer-scale stochastic variations in their formation influence printed image quality. Proposals have been made that polymer chain uniformity may be advantageous in reducing stochastics due to spatial inhomogeneities, and this aspect of radiolysis is examined in this work. We have simulated the initial subpicosecond stages of the imaging process for a series of photoresist films that are identical in composition but vary in their polymer chain structures. We use detailed, physically accurate stochastic reaction-diffusion calculations to evaluate the influence of defined sequence and random copolymer structures on radiolytic spur formation, i.e., a cluster of species formed by electron-polymer interactions that defines the initial spatial characteristic of the imaging process. Predictions of electron thermalization in the present work are shown to be consistent with the literature, indicating that our overall computational approach for ultrafast nanoscale processes is sound. The computational results show that the polymer sequence has no significant effect on the spur composition. This suggests that any potential imaging improvements to be gained by sequence control must originate from postimaging lithographic process steps.

Absorption↗

DOE OSTI2025

On-Demand Selection of the Latent Domain Orientation in Spray-Deposited Block Copolymer Thin Films

With their ability to self-assemble spontaneously into well-defined nanoscale morphologies, block copolymer (BCP) thin films are a versatile platform to fabricate functional nanomaterials. An important challenge to wider deployment of BCPs in nanofabrication is combining precise control over the nanoscale domain orientation in BCP assemblies with scalable deposition techniques that are applicable to large-area, curved, and flexible substrates. Here, in this study, we show that spray-deposited smooth films of a nominally disordered BCP exhibit latent orientations, which can be prescriptively selected by controlling solvent evaporation during spray casting. Subsequent solvent vapor annealing triggers assembly toward highly ordered cylindrical morphologies along the pathway determined by solvent evaporation in the prior spray deposition stage. Faster evaporation promotes assembly of vertically oriented cylinders spanning the entire film thickness (100–300 nm). In comparison, slow solvent evaporation permits intermicellar aggregation and incipient cylinder formation in solution, which induces horizontal cylinder assembly upon annealing. The evaporatively controlled latent orientation mechanism presented herein elucidates how nonequilibrium phenomena during casting govern successive self-assembly pathways and facilitates a versatile method to dictate the domain orientation of BCP thin films on demand on flexible and highly curved substrates or in distinct pattern areas on the same substrate.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Shallow Aseismic Slip in the Delaware Basin Determined by Sentinel-1 InSAR

The Delaware Basin, Texas is currently a hot-spot of induced seismicity and ground deformation due to fluid extraction and injection associated with horizontal drilling techniques; however, the driving mechanism behind the seismicity and deformation remains under debate. Here, using vertical and east-west horizontal surface deformation measurements derived from Sentinel-1 interferometric synthetic aperture radar (InSAR), we show that the subsurface responds differently to oil and gas activity in the northern and southeastern portions of the basin. In the north, where there is little seismicity, deformation patterns display long-wavelengths and equidimensional patterns. In contrast, the southeast region hosts most of the seismicity and displays spatial deformation patterns with narrow linear features that strike parallel to the maximum principal horizontal stress and to trends in seismicity, suggesting movement along normal faults. We model a linear deformation feature using edge dislocations and show that the InSAR observations can be reproduced by slip on normal faults contained within the Delaware Mountain Group (DMG), the formation that hosts local wastewater injection and the majority of earthquakes. Our model consists of three parallel, high-angle normal faults, with two dipping toward one another in a graben structure. Slip magnitudes reach up to 25 cm and are spatially correlated with injection wells. Measured seismicity can only explain ~2% of the fault motion predicted by our fault model, suggesting that slip leading to the deformation is predominantly aseismic. We conclude that seismic and aseismic fault motion in the southeastern Delaware Basin is likely driven by wastewater injection near critically-stressed normal faults within the DMG.

58 GEOSCIENCES↗