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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

In Operando Angle‐Resolved Photoemission Spectroscopy with Nanoscale Spatial Resolution: Spatial Mapping of the Electronic Structure of Twisted Bilayer Graphene

To pinpoint the electronic and structural mechanisms that affect intrinsic and extrinsic performance limits of 2D material devices, it is of critical importance to resolve the electronic properties on the mesoscopic length scale of such devices under operating conditions. Herein, angle‐resolved photoemission spectroscopy with nanoscale spatial resolution (nanoARPES) is used to map the quasiparticle electronic structure of a twisted bilayer graphene device. The dispersion and linewidth of the Dirac cones associated with top and bottom graphene layers are determined as a function of spatial position on the device under both static and operating conditions. The analysis reveals that microscopic rotational domains in the two graphene layers establish a range of twist angles from 9.8° to 12.7°. Application of current and electrostatic gating lead to strong electric fields with peak strengths of 0.75 V/μm at the rotational domain boundaries in the device. These proof‐of‐principle results demonstrate the potential of nanoARPES to link mesoscale structural variations with electronic states in operating device conditions and to disentangle such extrinsic factors from the intrinsic quasiparticle dispersion.

Majchrzak, Paulina↗
DOE OSTI2017

Imaging the Thickness of Passivation Layers for Crystalline Silicon with Micron‐Scale Spatial Resolution Using Spectral Photoluminescence

Thin films deposited on crystalline silicon surfaces are critical components of many silicon‐based devices, including high‐efficiency photovoltaic cells. Knowledge of their optical and electronic properties is important in designing and fabricating efficient solar cells, especially as the device complexity increases and includes micron‐scale features. Here, a camera‐based photoluminescence (PL) technique is developed to image the thickness of specific passivating films on silicon wafers. The technique is entirely contactless and nondestructive, requires minimal sample preparation, and provides a large dynamic range in terms of field of view, with micron‐scale spatial resolution possible. It retains the advantages of PL imaging, a mainstream technique for photovoltaic material and device characterization, and it has some extra capabilities similar to those of ellipsometry. This newly developed technique is demonstrated on hydrogenated amorphous silicon and silicon nitride films, two important passivation technologies for high‐efficiency silicon solar cells.

Nguyen, Hieu T.↗
DOE OSTI2019

Spatial genetic analysis of coyotes in New York State

ABSTRACT The robust dispersal capability of the coyote ( Canis latrans ) would suggest a pattern of widespread gene flow across North America, yet historical legacies, dispersal barriers, and habitat affinities may produce or reinforce genetic structure. In the northeastern United States, some coyotes carry genetic signatures from past hybridization events with eastern wolves ( C. lupus lycaon ). These so‐called “coywolves” may have differential predation or competitive success compared with the western origin coyotes with whom they share the contemporary landscape. We sampled coyote populations from New York ( n = 156) and Wyoming, USA ( n = 8) in 2006–2007 and from South Carolina, USA, in 2010 and confirmed regional genetic structure among these coyote populations. Then, within the putative contact zone between the northeastern and western coyote colonization fronts (New York State), we evaluated evidence for broad‐ and fine‐sale genetic structure, and a genetic gradient among New York coyotes using a suite of spatial genetic analyses. Although broad‐scale analyses indicated New York coyotes were highly intermixed, subtle isolation‐by‐distance was detected, and local spatial autocorrelation indicated potentially shorter dispersal distances and larger group sizes for coyotes in the Northeastern Highlands (Adirondack Mountains and foothills). Yet we failed to detect a distinct contact zone between 2 coyote types in New York, indicating that local abundance and ecological context rather than genetic lineage are likely to determine the local ecological effects of coyotes in this region. We suggest that the contact zone between coyote colonization fronts has either eroded or moved further south. © 2019 The Wildlife Society.

Berkman, Leah K.↗
DOE OSTI2018

Metal Amorphous Nanocomposite (MANC) Alloy Cores with Spatially Tuned Permeability for Advanced Power Magnetics Applications

Metal amorphous nanocomposite (MANC) alloys are an emerging class of soft magnetic materials showing promise for a range of inductive components targeted for higher power density and higher efficiency power conversion applications including inductors, transformers, and rotating electrical machinery. Magnetization reversal mechanisms within these alloys are typically determined by composition optimization as well as controlled annealing treatments to generate a nanocomposite structure composed of nanocrystals embedded in an amorphous precursor. Here in this paper we demonstrate the concept of spatially varying the permeability within a given component for optimization of performance by using the strain annealing process. The concept is realized experimentally through the smoothing of the flux profile from the inner to outer core radius achieved by a monotonic variation in tension during the strain annealing process. Great potential exists for an extension of this concept to a wide range of other power magnetic components and more complex spatially varying permeability profiles through advances in strain annealing techniques and controls.

36 MATERIALS SCIENCE↗
DOE OSTI2019

A Consistent Spatially Adaptive Smoothed Particle Hydrodynamics Method for fluid-structure interactions

A new consistent, spatially adaptive, smoothed particle hydrodynamics (SPH) method for Fluid-Structure Interactions (FSI) is presented. The method combines several attributes that have not been simultaneously satisfied by other SPH methods. Specifically, it is second-order convergent; it allows for resolutions spatially adapted with moving (translating and rotating) boundaries of arbitrary geometries; and, it accelerates the FSI solution as the adaptive approach leads to fewer degrees of freedom without sacrificing accuracy. The key ingredients in the method are a consistent discretization of differential operators, a posteriori error estimator/distance-based criterion of adaptivity, and a particle-shifting technique. The method is applied in simulating six different flows or FSI problems. The new method's convergence, accuracy, and efficiency attributes are assessed by comparing the results it produces with analytical, finite element, and consistent SPH uniform high-resolution solutions as well as experimental data.

Hu, Wei↗
DOE OSTI2021

Multimodal Analysis of Spatially Heterogeneous Microstructural Refinement and Softening Mechanisms in Three-Pass Friction Stir Processed Al4Si Alloy

Multiple thermally and thermomechanically induced microstructural refinement mechanisms can be activated in metallic alloys when subjected to solid phase processing methods such as friction stir processing (FSP). In this work, we provide detailed descriptions of the relationship between region-specific microstructural refinement mechanisms and the variation in microhardness, through a systematic and multimodal microstructural characterization of an FSP-processed 75% cold-rolled Al-4 at.% Si model binary alloy. Spatially resolved high-energy synchrotron X-ray diffraction, electron backscattered diffraction, and scanning transmission electron microscopy were used to understand the spatially heterogeneous microstructural evolution due to FSP. Results provide insights into how mechanisms such as static recovery, static recrystallization, dynamic recovery and recrystallization, geometric and continuous dynamic recrystallization, and particle-stimulated static or dynamic grain nucleation may occur heterogeneously in the microstructure as a function of the distance from the stir zone in processed alloys, directly influencing the degree of softening. The systematic analysis of microstructures and hardness in the FSP-processed model binary alloy given in this work highlights the rich microstructural domains that can be uniquely harnessed through solid phase processing of metallic alloys.

Al4Si, Friction Stir Processing, Geometric Dynamic↗
DOE OSTI2016

Finite time step and spatial grid effects in δf simulation of warm plasmas

This paper introduces a technique for analyzing time integration methods used with the particle weight equations in δf method particle-in-cell (PIC) schemes. The analysis applies to the simulation of warm, uniform, periodic or infinite plasmas in the linear regime and considers the collective behavior similar to the analysis performed by Langdon for full-f PIC schemes [1,2]. We perform both a time integration analysis and spatial grid analysis for a kinetic ion, adiabatic electron model of ion acoustic waves. An implicit time integration scheme is studied in detail for δf simulations using our weight equation analysis and for full-f simulations using the method of Langdon. It is found that the δf method exhibits a CFL-like stability condition for low temperature ions, which is independent of the parameter characterizing the implicitness of the scheme. The accuracy of the real frequency and damping rate due to the discrete time and spatial schemes is also derived using a perturbative method. The theoretical analysis of numerical error presented here may be useful for the verification of simulations and for providing intuition for the design of new implicit time integration schemes for the δf method, as well as understanding differences between δf and full-f approaches to plasma simulation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Orientation gradients in relation to grain boundaries at varying strain level and spatial resolution

The resolution dependence of orientation gradients was studied in a well-annealed 99.9995% pure polycrystalline copper pulled to failure in tension. Owing to the well developed neck, different regions in the sample correspond to different tensile strains. Post-mortem characterization was performed using EBSD on cross-sections containing the tensile axis. Kernel average misorientation (KAM) was calculated as a metric to establish correlation between defect accumulation and microstructural features, with a threshold of 5° to focus on intra-granular gradients. The region with the lowest strain (2%) showed high KAM values adjacent to grain boundaries compared to the grain interior, regardless of the point spacing, i.e. the spatial resolution. However, in the region with the highest strain (13%) a strong dependence on resolution was found. For point spacings of 0.5 μm or smaller, the same correlation of high KAM with locations near boundaries was found. At coarse spacings i.e. low spatial resolution, by contrast, the reverse was found in that the highest KAM values appear in the grain interiors, as previously observed in X-ray microscopy on the same sample which had a similar coarse resolution. An analysis of orientation gradients parallel to, and perpendicular to boundaries suggested that the latter tend to be the larger of the two. This helps to explain why boundary-adjacent points have low KAM values. The conclusion is that measurement of local orientation gradient requires a resolution that is comparable to the dislocation substructure.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Subtropical marine low stratiform cloud deck spatial errors in the E3SMv1 Atmosphere Model

Marine low-level clouds continue to be poorly simulated in models despite many studies and field experiments devoted to their improvement. Here we focus on the spatial errors in the cloud decks in the Department of Energy Earth system model (E3SM) relative to the satellite climatology by calculating centroid distances, area ratios, and overlap ratios. Since model dynamics is better simulated than clouds, these errors are attributed primarily to the model physics. To gain additional insight, we performed a sensitivity run in which model winds were nudged to those of reanalysis. This results in a large change (but not necessarily an improvement) in the simulated cloud decks. These differences between simulations are mainly due to the interactions between model dynamics and physics. These results suggest that both model physics (widely recognized) and its interaction with dynamics (less recognized) are important to model improvement in simulating these low-level clouds.

Brunke, Michael A.↗
DOE OSTI2015

Methods of photoelectrode characterization with high spatial and temporal resolution

Here, materials and photoelectrode architectures that are highly efficient, extremely stable, and made from low cost materials are required for commercially viable photoelectrochemical (PEC) water-splitting technology. A key challenge is the heterogeneous nature of real-world materials, which often possess spatial variation in their crystal structure, morphology, and/or composition at the nano-, micro-, or macro-scale. Different structures and compositions can have vastly different properties and can therefore strongly influence the overall performance of the photoelectrode through complex structure–property relationships. A complete understanding of photoelectrode materials would also involve elucidation of processes such as carrier collection and electrochemical charge transfer that occur at very fast time scales. We present herein an overview of a broad suite of experimental and computational tools that can be used to define the structure–property relationships of photoelectrode materials at small dimensions and on fast time scales. A major focus is on in situ scanning-probe measurement (SPM) techniques that possess the ability to measure differences in optical, electronic, catalytic, and physical properties with nano- or micro-scale spatial resolution. In situ ultrafast spectroscopic techniques, used to probe carrier dynamics involved with processes such as carrier generation, recombination, and interfacial charge transport, are also discussed. Complementing all of these experimental techniques are computational atomistic modeling tools, which can be invaluable for interpreting experimental results, aiding in materials discovery, and interrogating PEC processes at length and time scales not currently accessible by experiment. In addition to reviewing the basic capabilities of these experimental and computational techniques, we highlight key opportunities and limitations of applying these tools for the development of PEC materials.

08 HYDROGEN↗
DOE OSTI2013

Performance and characterization of the prototype nm-scale spatial resolution scanning multilayer Laue lenses microscope

Synchrotron based x-ray microscopy established itself as a prominent tool for noninvasive investigations in many areas of science and technology. Many facilities around the world routinely achieve sub-micrometer resolution with a few instruments capable of imaging with the spatial resolution better than 100 nm. With an ongoing effort to push the 2D/3D resolution down to 10 nm in the hard x-ray regime both fabrication of the nano-focusing optics and stability of a microscope become extremely challenging. In this work we present our approach to overcome technical challenges on the path towards high spatial resolution hard x-ray microscopy and demonstrate the performance of a scanning fluorescence microscope equipped with the multilayer Laue lenses focusing optics.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Spatially indirect radiative recombination in InAlAsSb grown lattice-matched to InP by molecular beam epitaxy

A photoluminescence (PL) spectroscopy study of the bulk quaternary alloy InAlAsSb is presented. Samples were grown lattice-matched to InP by molecular beam epitaxy and two different growth temperatures of 450 °C and 325 °C were compared. Interpolated bandgap energies suggest that the development of this alloy would extend the range of available direct bandgaps attainable in materials lattice-matched to InP to energies as high as 1.81 eV. However, the peak energy of the observed PL emission is anomalously low for samples grown at both temperatures, with the 450 °C sample showing larger deviation from the expected bandgap. A fit of the integrated PL intensity (I) to an I∝P{sup k} dependence, where P is the incident power density, yields characteristic coefficients k = 1.05 and 1.18 for the 450 °C and 325 °C samples, respectively. This indicates that the PL from both samples is dominated by excitonic recombination. A blue-shift in the peak emission energy as a function of P, along with an S-shaped temperature dependence, is observed. These trends are characteristic of spatially-indirect recombination associated with compositional variations. The energy depth of the confining potential, as derived from the thermal quenching of the photoluminescence, is 0.14 eV for the 325 °C sample, which is consistent with the red-shift of the PL emission peak relative to the expected bandgap energy. This suggests that compositional variation is the primary cause of the anomalously low PL emission peak energy. The higher energy PL emission of the 325 °C sample, relative to the 450 °C sample, is consistent with a reduction of the compositional fluctuations. The lower growth temperature is therefore considered more favorable for further growth optimization.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Spatially resolved density and ionization measurements of shocked foams using x-ray fluorescence

We present experiments at the Trident laser facility demonstrating the use of x-ray fluorescence (XRF) to simultaneously measure density, ionization state populations, and electron temperature in shocked foams. An imaging x-ray spectrometer obtained spatially resolved measurements of Ti K-α emission. Density profiles were measured from K-α intensity. Ti ionization state distributions and electron temperatures were inferred by fitting K-α spectra to spectra from CRETIN simulations. This work shows that XRF provides a powerful tool to complement other diagnostics to make equation of state measurements of shocked materials containing a suitable tracer element.

36 MATERIALS SCIENCE↗
DOE OSTI2018

A novel approach for estimating densities of secretive species from road-survey and spatial-movement data

Accurate estimates of population density are a critical component of effective wildlife conservation and management. However, many snake species are so secretive that their density cannot be determined using traditional methods such as capture–mark–recapture. Thus, the status of most terrestrial snake populations remains completely unknown. We developed a novel simulation-based technique for estimating density of secretive snakes that combined behavioural observations of snake road-crossing behaviour (crossing speed), effort-corrected road-survey data, and simulations of spatial movement patterns derived from radio-telemetry, without relying on mark–recapture. Here, we used radio-telemetry data to parameterise individual-based movement models that estimate the frequency with which individual snakes cross roads and used information on survey vehicle speed and snake crossing speed to determine the probability of detecting a snake, given that it crosses the road transect during a survey. Snake encounter frequencies during systematic road surveys were then interpreted in light of detection probabilities and simulation model results to estimate snake densities and to assess various factors likely to affect abundance estimates. We demonstrated the broad applicability of this approach through a case study of the imperiled southern hognose snake (Heterodon simus) in the North Carolina (USA) Sandhills. We estimated that H. simus occurs at average densities of 0.17 ha –1 in the North Carolina Sandhills and explored the sensitivity of this estimate to assumptions and variation in model parameters. Our novel method allowed us to generate the first abundance estimates for H. simus. We found that H. simus exists at low densities relative to congeners and other mid-sized snake species, raising concern that this species may not only have declined in geographic range, but may also occur at low densities or be declining in their strongholds, such as the North Carolina Sandhills. We present a framework for estimating density of species that have traditionally been considered too secretive to study at the population level. This method will greatly enhance our ability to study and manage a wide variety of snake species and could be applied to other secretive wildlife species that are most frequently encountered during road surveys.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

A SPATIALLY RESOLVED STUDY OF THE SYNCHROTRON EMISSION AND TITANIUM IN TYCHO’S SUPERNOVA REMNANT USING NuSTAR

We report results from deep observations (∼750 ks) of Tycho's supernova remnant (SNR) with NuSTAR. Using these data, we produce narrow-band images over several energy bands to identify the regions producing the hardest X-rays and to search for radioactive decay line emission from {sup 44}Ti. We find that the hardest (>10 keV) X-rays are concentrated in the southwest of Tycho, where recent Chandra observations have revealed high emissivity “stripes” associated with particles accelerated to the knee of the cosmic-ray spectrum. We do not find evidence of {sup 44}Ti, and we set limits on its presence and distribution within the SNR. These limits correspond to an upper-limit {sup 44}Ti mass of M{sub 44} < 2.4 × 10{sup −4} M{sub ⊙} for a distance of 2.3 kpc. We perform a spatially resolved spectroscopic analysis of 66 regions across Tycho. We map the best-fit rolloff frequency of the hard X-ray spectra, and we compare these results to measurements of the shock expansion and ambient density. We find that the highest energy electrons are accelerated at the lowest densities and in the fastest shocks, with a steep dependence of the rolloff frequency with shock velocity. Such a dependence is predicted by models where the maximum energy of accelerated electrons is limited by the age of the SNR rather than by synchrotron losses, but this scenario requires far lower magnetic field strengths than those derived from observations in Tycho. One way to reconcile these discrepant findings is through shock obliquity effects, and future observational work is necessary to explore the role of obliquity in the particle acceleration process.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Population dynamics, information transfer, and spatial organization in a chemical reaction network under spatial confinement and crowding conditions

Here, we investigate, via Brownian dynamics simulations, the reaction dynamics of a generic, nonlinear chemical network under spatial confinement and crowding conditions. In detail, the Willamowski-Rossler chemical reaction system has been “extended” and considered as a prototype reaction-diffusion system. These results are potentially relevant to a number of open problems in biophysics and biochemistry, such as the synthesis of primitive cellular units (protocells) and the definition of their role in the chemical origin of life and the characterization of vesicle-mediated drug delivery processes. More generally, the computational approach presented in this work makes the case for the use of spatial stochastic simulation methods for the study of biochemical networks in vivo where the “well-mixed” approximation is invalid and both thermal and intrinsic fluctuations linked to the possible presence of molecular species in low number copies cannot be averaged out.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗