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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Summertime Post-Cold-Frontal Marine Stratocumulus Transition Processes over the Eastern North Atlantic

Abstract Marine boundary layer (MBL) cloud morphology associated with two summertime cold fronts over the eastern North Atlantic (ENA) is investigated using high-resolution simulations from the Weather Research and Forecasting (WRF) Model and observations from the Atmospheric Radiation Measurement (ARM) ENA Climate Research Facility. Lagrangian trajectories are used to study the evolution of post-cold-frontal MBL clouds from solid stratocumulus to broken cumulus. Clouds within specified domains in the vicinity of transitions are classified according to their degree of decoupling, and cloud-base and cloud-top breakup processes are evaluated. The Lagrangian derivative of the surface latent heat flux is found to be strongly correlated with that of the cloud fraction at cloud base in the simulations. Cloud-top entrainment instability (CTEI) is shown to operate only in the decoupled MBL. A new indicator of inversion strength at cloud top that employs the vertical gradients of equivalent potential temperature and saturation equivalent potential temperature, which can be computed directly from soundings, is proposed as an alternative to CTEI. Overall, results suggest that the deepening–warming hypothesis suggested by Bretherton and Wyant explains many of the characteristics of the summertime postfrontal MBL evolution of cloud structure over the ENA, thereby widening the phase space over which the hypothesis may be applied. A subset of the deepening–warming hypothesis involving warming initially dominating over moistening is proposed. It is postulated that changes in climate change–induced modifications in cold-frontal structure over the ENA may be accompanied by coincident changes in the location and timing of MBL cloud transitions in the post-cold-frontal environment.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Improving the representation of shallow cumulus convection with the simplified-higher-order-closure–mass-flux (SHOC+MF v1.0) approach

Abstract. Parameterized boundary layer turbulence and moist convection remain some of the largest sources of uncertainty in general circulation models. High-resolution climate modeling aims to reduce that uncertainty by explicitly attempting to resolve deep moist convective motions. An example of such a model is the Simple Cloud-Resolving E3SM Atmosphere Model (SCREAM) with a target global resolution of 3.25 km, allowing for a more accurate representation of complex mesoscale deep convective dynamics. Yet, small-scale planetary boundary layer turbulence and shallow convection still need to be parameterized, which in SCREAM is accomplished through the turbulent-kinetic-energy-based (TKE-based) simplified higher-order closure (SHOC) – a simplified version of the assumed-double-Gaussian-PDF (probability density function) higher-order-closure method. In this paper, we implement a stochastic-multiplume mass-flux (MF) parameterization of dry and shallow convection in SCREAM to go beyond the limitations of double-Gaussian-PDF closures and couple it to SHOC (SHOC+MF). The new parameterization implemented in a single-column model type version of SCREAM produces results for two shallow cumulus convection cases (marine and continental shallow convection) that agree well with the reference data from large-eddy simulations, thus improving the general representation of the thermodynamic quantities and their turbulent fluxes as well as cloud macrophysics in the model. Furthermore, SHOC+MF parameterization shows weak sensitivity to the vertical grid resolution and model time step.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Effects of drifts on scrape-off layer transport in W7-X

Abstract Drifts affect particle, momentum, and energy transport in the scrape-off layer (SOL) of tokamaks and stellarators, altering plasma flows and creating asymmetries between divertors. To understand how drifts affect SOL transport in the W7-X island divertor, an experiment was performed to compare plasmas with matched core parameters but opposite magnetic field directions, and therefore opposite drift transport directions. Parallel flow measurements made with coherence imaging spectroscopy are interpreted with the aid of a diagnostic forward model and a 1D simple SOL model that includes the E × B drift. In low-density plasmas ( n ‾ e < 2 × 10 19 m −3 ), the poloidal E × B drift induces a large poloidal density asymmetry within the island SOL, as measured by divertor Langmuir probes. This in turn causes the parallel flow stagnation point to shift from the position halfway between targets to the X-point in the drift direction, leading to near-unidirectional flow throughout the SOL. As density increases, the effects of the poloidal E × B drift decrease substantially, resulting in a smaller density asymmetry and the development of a counter-streaming flow pattern. For the entire density range probed in this experiment ( n ‾ e = 1.5 − 6 × 10 19 m −3 ), the experimental observations are more consistent with the effects of the poloidal E × B drift than the radial E × B drift.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Nano-infrared imaging of metal insulator transition in few-layer 1T-TaS 2

Abstract Among the family of transition metal dichalcogenides, 1T-TaS 2 stands out for several peculiar physical properties including a rich charge density wave phase diagram, quantum spin liquid candidacy and low temperature Mott insulator phase. As 1T-TaS 2 is thinned down to the few-layer limit, interesting physics emerges in this quasi 2D material. Here, using scanning near-field optical microscopy, we perform a spatial- and temperature-dependent study on the phase transitions of a few-layer thick microcrystal of 1T-TaS 2 . We investigate encapsulated air-sensitive 1T-TaS 2 prepared under inert conditions down to cryogenic temperatures. We find an abrupt metal-to-insulator transition in this few-layer limit. Our results provide new insight in contrast to previous transport studies on thin 1T-TaS 2 where the resistivity jump became undetectable, and to spatially resolved studies on non-encapsulated samples which found a gradual, spatially inhomogeneous transition. A statistical analysis suggests bimodal high and low temperature phases, and that the characteristic phase transition hysteresis is preserved down to a few-layer limit.

42 ENGINEERING↗
DOE OSTI2025

Revealing the Origin and Nature of the Buried Metal‐Substrate Interface Layer in Ta/Sapphire Superconducting Films

Abstract Despite constituting a smaller fraction of the qubit's electromagnetic mode, surfaces and interfaces can exert significant influence as sources of high‐loss tangents, which brings forward the need to reveal properties of these extended defects and identify routes to their control. Here, we examine the structure and composition of the metal‐substrate interfacial layer that exists in Ta/sapphire‐based superconducting films. Synchrotron‐based X‐ray reflectivity measurements of Ta films, commonly used in these qubits, reveal an unexplored interface layer at the metal‐substrate interface. Scanning transmission electron microscopy and core‐level electron energy loss spectroscopy identified an intermixing layer (≈0.65 ± 0.05 nm) at the metal‐substrate interface containing Al, O, and Ta atoms. Density functional theory modeling reveals that the structure and properties of the Ta/sapphire heterojunctions are determined by the oxygen content on the sapphire surface prior to Ta deposition for two atomic terminations of sapphire. Using a multimodal approach, we gained deeper insights into the interface layer between the metal and substrate, which suggests that the orientation of deposited Ta films depend on the surface termination of sapphire. The observed elemental intermixing at the metal‐substrate interface influences the thermodynamic stability and electronic behavior of the film, which may also affect qubit performance.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Reversible multicolor chromism in layered formamidinium metal halide perovskites

Abstract Metal halide perovskites feature crystalline-like electronic band structures and liquid-like physical properties. The crystal–liquid duality enables optoelectronic devices with unprecedented performance and a unique opportunity to chemically manipulate the structure with low energy input. In this work, we leverage the low formation energy of metal halide perovskites to demonstrate multicolor reversible chromism. We synthesized layered Ruddlesden-Popper FA n+1 Pb n X 3n+1 (FA = formamidinium, X = I, Br; n = number of layers = 1, 2, 3 … ∞) and reversibly tune the dimensionality ( n ) by modulating the strength and number of H-bonds in the system. H-bonding was controlled by exposure to solvent vapor (solvatochromism) or temperature change (thermochromism), which shuttles FAX salt pairs between the FA n+1 Pb n X 3n+1 domains and adjacent FAX “reservoir” domains. Unlike traditional chromic materials that only offer a single-color transition, FA n+1 Pb n X 3n+1 films reversibly switch between multiple colors including yellow, orange, red, brown, and white/colorless. Each colored phase exhibits distinct optoelectronic properties characteristic of 2D superlattice materials with tunable quantum well thickness.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Tunneling current-controlled spin states in few-layer van der Waals magnets

Abstract Effective control of magnetic phases in two-dimensional magnets would constitute crucial progress in spintronics, holding great potential for future computing technologies. Here, we report a new approach of leveraging tunneling current as a tool for controlling spin states in CrI 3 . We reveal that a tunneling current can deterministically switch between spin-parallel and spin-antiparallel states in few-layer CrI 3 , depending on the polarity and amplitude of the current. We propose a mechanism involving nonequilibrium spin accumulation in the graphene electrodes in contact with the CrI 3 layers. We further demonstrate tunneling current-tunable stochastic switching between multiple spin states of the CrI 3 tunnel devices, which goes beyond conventional bi-stable stochastic magnetic tunnel junctions and has not been documented in two-dimensional magnets. Our findings not only address the existing knowledge gap concerning the influence of tunneling currents in controlling the magnetism in two-dimensional magnets, but also unlock possibilities for energy-efficient probabilistic and neuromorphic computing.

Science & Technology - Other Topics↗
DOE OSTI2021

2D measurements of parallel counter-streaming flows in the W7-X scrape-off layer for attached and detached plasmas

Abstract Investigations of particle parallel flow velocities have been carried out for the scrape-off layer (SOL) of the Wendelstein 7-X (W7-X) stellarator, in order to gain insights on the SOL transport properties during attached and detached plasma scenarios. The experimental evidence is based on the coherence imaging spectroscopy (CIS) diagnostic, able to measure 2D impurity emission intensity and flow velocity. The impurity monitored by CIS is C 2+ , characterized by a line-emission intensity observed to be linearly proportional to the total plasma radiated power in both attached and detached plasmas. The related C 2+ velocity shows a strong dependence on the line-averaged electron density while remaining insensitive to the input power. During attached plasmas, the velocity increases with increasing line-averaged density. The tendency reverses in the transition to and during detachment, in which the velocity decreases by at least a factor of 2. The sharp drop in velocity, together with a rise in line-emission intensity, is reliably correlated to the detachment transition and can therefore be used as one of its signatures. The impurity flow velocity appears to be well coupled with the main ions’ one, thus implying the dominant role of impurity-main ion friction in the parallelimpurity transport dynamics. In view of this SOL impurity transport regime, the CIS measurement results are here interpreted with the help of EMC3-Eirene simulations, and their major trends are already explainable with a simple 1D fluid model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Diffusive and ballistic transport in thin InSb nanowire devices using a few-layer-graphene-AlO x gate

Abstract Quantum devices based on InSb nanowires (NWs) are a prime candidate system for realizing and exploring topologically-protected quantum states and for electrically-controlled spin-based qubits. The influence of disorder on achieving reliable quantum transport regimes has been studied theoretically, highlighting the importance of optimizing both growth and nanofabrication. In this work, we consider both aspects. We developed InSb NW with thin diameters, as well as a novel gating approach, involving few-layer graphene and atomic layer deposition-grown AlO x . Low-temperature electronic transport measurements of these devices reveal conductance plateaus and Fabry–Pérot interference, evidencing phase-coherent transport in the regime of few quantum modes. The approaches developed in this work could help mitigate the role of material and fabrication-induced disorder in semiconductor-based quantum devices.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Damage Evolution of Double-Sided Copper Conductor on Multi-layer Flexible Substrate Under Bending

Abstract—Thin-film conductors continue to play an important role in flexible electronics, and thus, the performance and reliability of such conductors under mechanical loading such as stretch, bend, and twist need to be studied through experiments as well as simulations. This paper focuses on the damage evolution of the thin-film conductors under cyclic bending. Four types of double-sided copper conductors: straight trace without coverlay, straight trace with coverlay, notched trace without coverlay, and notched trace with coverlay on multi-layer substrates were studied in this work. The adaptive curvature flexure test method, which is suitable for thin-film bending, was employed in this work. Adaptive curvature flexure test is one where the flexible substrate with its conductor is positioned between two parallel plates, and the parallel plates are moved relative to each other such that the gap distance between the parallel plates changes in one of the configurations of the adaptive curvature flexure test. Different strain levels can be achieved easily in such an adaptive curvature flexure test by controlling the gap distance between the parallel plates. By subjecting flexible substrates with thin conductors to such bend tests, the fatigue life of the specimen was determined for different magnitudes of strain ranges. The results were then compared among the four types of conductors. Specimens were designed such that the conductors were placed on both sides of the substrate so that the one of the conductors would undergo tensile straining, while the other one would undergo compressive straining. It was shown that the fatigue life was highly dependent on the magnitude of strain range, and that the conductor on the compressive side failed sooner than that on the tensile side. The failed specimens were examined in a microscope at different number of cycles. Also, the resistance of the conductors, which is directly related to the reliability of thin-film conductors, was monitored in-situ during bending. The resistance change with the strain range change as well as the resistance progression with the number of cycles in tensile as well as compressive mode were determined, and such information is then used to create failure prediction models for thin-film conductors on flexible substrates.

damage evolution, flexible conductor, multi-layer ↗
DOE OSTI2020

Stabilizing Reversible Oxygen Redox Chemistry in Layered Oxides for Sodium‐Ion Batteries

Abstract Triggering oxygen‐related activity is demonstrated as a promising strategy to effectively boost energy density of layered cathodes for sodium‐ion batteries. However, irreversible lattice oxygen loss will induce detrimental structure distortion, resulting in voltage decay and cycle degradation. Herein, a layered structure P2‐type Na 0.66 Li 0.22 Ru 0.78 O 2 cathode is designed, delivering reversible oxygen‐related and Ru‐based redox chemistry simultaneously. Benefiting from the combination of strong Ru 4d‐O 2p covalency and stable Li location within the transition metal layer, reversible anionic/cationic redox chemistry is achieved successfully, which is proved by systematic bulk/surface analysis by in/ex situ spectroscopy (operando Raman and hard X‐ray absorption spectroscopy, etc.). Moreover, the robust structure and reversible phase transition evolution revealed by operando X‐ray diffraction further establish a high degree reversible (de)intercalation processes (≈150 mAh g −1 , reversible capacity) and long‐term cycling (average capacity drop of 0.018%, 500 cycles).

Cao, Xin↗
DOE OSTI2020

Layer-by-Layer Freezing of Nanoconfined Water

Abstract Nanoconfined water plays a pivotal role in a vast number of fields ranging from biological and materials sciences to catalysis, nanofluidics and geochemistry. Here, we report the freezing and melting behavior of water (D 2 O) nanoconfined in architected silica-based matrices including Vycor glass and mesoporous silica SBA-15 and SBA-16 with pore diameters ranging between 4–15 nm, which are investigated using differential scanning calorimetry and 2 H nuclear magnetic resonance spectroscopy. The results provide compelling evidence that the extreme dynamical heterogeneity of water molecules is preserved over distances as small as a few angstroms. Solidification progresses in a layer-by-layer fashion with a coexistence of liquid-like and solid-like dynamical fraction at all temperatures during the transition process. The previously reported fragile-to-strong dynamic transition in nanoconfined water is argued to be a direct consequence of the layer-by-layer solidification.

42 ENGINEERING↗
DOE OSTI2024

Wind farm structural response and wake dynamics for an evolving stable boundary layer: computational and experimental comparisons

Abstract. The wind turbine design process requires performing thousands of simulations for a wide range of inflow and control conditions, which necessitates computationally efficient yet time-accurate models, especially when considering wind farm settings. To this end, FAST.Farm is a dynamic-wake-meandering-based mid-fidelity engineering tool developed by the National Renewable Energy Laboratory targeted at accurately and efficiently predicting wind turbine power production and structural loading in wind farm settings, including wake interactions between turbines. This work is an extension of a study that addressed constructing a diurnal cycle evolution based on experimental data (Quon, 2024). Here, this inflow is used to validate the turbine structural and wake-meandering response between experimental data, FAST.Farm simulation results, and high-fidelity large-eddy simulation results from the coupled Simulator fOr Wind Farm Applications (SOWFA)–OpenFAST tool. The validation occurs within the nocturnal stable boundary layer when corresponding meteorological and turbine data are available. To this end, we compared the load results from FAST.Farm and SOWFA–OpenFAST to multi-turbine measurements from a subset of a full-scale wind farm. Computational predictions of blade-root and tower-base bending loads are compared to 10 min statistics of strain gauge measurements during 3.5 h of the evolving stable boundary layer, generally with good agreement. This time period coincided with an active wake-steering campaign of an upstream turbine, resulting in time-varying yaw positions of all turbines. Wake meandering was also compared between the computational solutions, generally with excellent agreement. Simulations were based on a high-fidelity precursor constructed from inflow measurements and using state-of-the-art mesoscale-to-microscale coupling.

17 WIND ENERGY↗
DOE OSTI2023

Look Up: Probing the Vertical Profile of New Particle Formation and Growth in the Planetary Boundary Layer With Models and Observations

Abstract The processes of new particle formation (NPF) and growth are important contributors to cloud condensation nuclei (CCN) concentrations, and CCN are important for climate from their impact on planetary radiative forcing. While the general ubiquity and importance of NPF is understood, the vertical extent and governing mechanisms of NPF and growth in the lower troposphere are uncertain. We present an analysis of four NPF events and two non‐NPF events during the HI‐SCALE field campaign at the Southern Great Plains observatory in Oklahoma, USA. First, we analyzed airborne and ground‐based observations of aerosol and gas‐phase properties. Second, we used a column aerosol chemistry and microphysics model to probe factors that influence the vertical profile of NPF. During HI‐SCALE, we found several instances of enhanced NPF occurring several hundred meters above the surface; however, the spatio‐temporal characteristics of the observed NPF made comparisons between airborne‐ and ground‐based observations difficult. The model represented the observed NPF (or lack of NPF) and particle growth at the surface to final diameters within 10 nm. The model predicted enhanced NPF rates in the upper mixed layer, and this enhancement is primarily due to the temperature dependence in the NPF schemes, but this was also dependent on the vertical profile of gas‐phase precursors measured during HI‐SCALE. We found vertical mixing in the model either enhanced or suppressed NPF rates, aerosol number concentrations, and particle growth rates at the surface. Finally, our analysis provides insights for future field campaigns and modeling efforts investigating the vertical profile of NPF.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Effect of relative humidity on the interlayer spacing of phosphate intercalated Mg, Al layered double hydroxide (hydrotalcite‐like) crystals

Abstract The availability of water and the type of interlayer anions present affect the arrangement and interlayer spacing of layered double hydroxide (LDH). A systematic study of the effect of relative humidity (RH) on the basal spacing of phosphate intercalated, magnesium aluminum LDHs (MgAl–PO 4 LDH) was conducted, confirming that MgAl‐PO 4 LDH exhibit distinct interlayer spacing corresponding to separate low‐ and high‐hydration states produced when exposed to low and high humidity conditions. The transition from the low‐ to high‐hydration form begins when RH exceeds 33% and is accompanied by the transition from one to two interlayers of water. An improved understanding of the effect of RH on MgAl–PO 4 LDHs will enable more accurate atomistic modeling and experimental characterization of MgAl–PO 4 LDHs and may lead to improvements in the tunability of MgAl‐PO 4 LDHs for commercial applications such as slow‐release fertilizer.

Reed, Titus↗
DOE OSTI2025

Ensemble‐Based, Large‐Eddy Reconstruction of Wind Turbine Inflow in a Near‐Stationary Atmospheric Boundary Layer Through Generative Artificial Intelligence

ABSTRACT To validate the second‐by‐second dynamics of turbines in field experiments, it is necessary to accurately reconstruct the winds going into the turbine. Current time‐resolved inflow reconstruction techniques estimate wind behavior in unobserved regions using relatively simple spectral‐based models of the atmosphere. Here, we develop a technique for time‐resolved inflow reconstruction that is rooted in a large‐eddy simulation model of the atmosphere. Our “large‐eddy reconstruction” technique blends observations and atmospheric model information through a diffusion model machine learning algorithm, allowing us to generate probabilistic ensembles of reconstructions for a single 10‐min observational period. Our generated inflows can be used directly by aeroelastic codes or as inflow boundary conditions in a large‐eddy simulation. We verify the second‐by‐second reconstruction capability of our technique in three synthetic field campaigns, finding positive Pearson correlation coefficient values () between ground‐truth and reconstructed streamwise velocity, as well as smaller positive correlation coefficient values for unobserved fields (spanwise velocity, vertical velocity, and temperature). We validate our technique in three real‐world case studies by driving large‐eddy simulations with reconstructed inflows and comparing to independent inflow measurements. The reconstructions are visually similar to measurements, follow desired power spectra properties, and track second‐by‐second behavior ().

17 WIND ENERGY↗
DOE OSTI2020

Investigating off-Hugoniot states using multi-layer ring-up targets

Abstract Laser compression has long been used as a method to study solids at high pressure. This is commonly achieved by sandwiching a sample between two diamond anvils and using a ramped laser pulse to slowly compress the sample, while keeping it cool enough to stay below the melt curve. We demonstrate a different approach, using a multilayer ‘ring-up’ target whereby laser-ablation pressure compresses Pb up to 150 GPa while keeping it solid, over two times as high in pressure than where it would shock melt on the Hugoniot. We find that the efficiency of this approach compares favourably with the commonly used diamond sandwich technique and could be important for new facilities located at XFELs and synchrotrons which often have higher repetition rate, lower energy lasers which limits the achievable pressures that can be reached.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗