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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Measurement Error in Atomic-Scale Scanning Transmission Electron Microscopy—Energy-Dispersive X-Ray Spectroscopy (STEM-EDS) Mapping of a Model Oxide Interface

Abstract With the development of affordable aberration correctors, analytical scanning transmission electron microscopy (STEM) studies of complex interfaces can now be conducted at high spatial resolution at laboratories worldwide. Energy-dispersive X-ray spectroscopy (EDS) in particular has grown in popularity, as it enables elemental mapping over a wide range of ionization energies. However, the interpretation of atomically resolved data is greatly complicated by beam–sample interactions that are often overlooked by novice users. Here we describe the practical factors—namely, sample thickness and the choice of ionization edge—that affect the quantification of a model perovskite oxide interface. Our measurements of the same sample, in regions of different thickness, indicate that interface profiles can vary by as much as 2–5 unit cells, depending on the spectral feature. This finding is supported by multislice simulations, which reveal that on-axis maps of even perfectly abrupt interfaces exhibit significant delocalization. Quantification of thicker samples is further complicated by channeling to heavier sites across the interface, as well as an increased signal background. We show that extreme care must be taken to prepare samples to minimize channeling effects and argue that it may not be possible to extract atomically resolved information from many chemical maps.

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

Smooth Dispersion Is Physically Appropriate: Assessing and Amending the D4 Dispersion Model

The addition of dispersion corrections to density functionals is essential for accurate energy and geometry predictions. Among them, the D4 scheme is popular due to its low computational cost and high accuracy. However, due to its design, the D4 correction can occasionally lead to anomalies, such as unphysical curvature and bumps in the potential energy surface. We find these anomalies are common in the D4 model, although observable consequences are rarer than in the D3 model for reasons we explain. Nevertheless, we uncover instances of unphysical local minima and stationary points with the D4 scheme and propose two solutions that yield smoother dispersion energy as a function of nuclear position. One is trivial to implement, based on a smoother reparametrization of Gaussian weighting (D4S) to find the effective coordination number. The other replaces Gaussian weighting with soft linear interpolation (D4SL). These new approaches usually remove artificial extremum points, while maintaining accuracy.

Tkachenko, Nikolay V↗
DOE OSTI2017

Dispersive charge density wave excitations in Bi 2 Sr 2 CaCu 2 O 8+δ [Dispersive charge density wave excitations and temperature dependent commensuration in Bi 2 Sr 2 CaCu 2 O 8+δ ]

Experimental evidence on high-T c cuprates reveals ubiquitous charge density wave (CDW) modulations, which coexist with superconductivity. Although the CDW had been predicted by theory, important questions remain about the extent to which the CDW influences lattice and charge degrees of freedom and its characteristics as functions of doping and temperature. These questions are intimately connected to the origin of the CDW and its relation to the mysterious cuprate pseudogap. We use ultrahigh-resolution resonant inelastic X-ray scattering to reveal new CDW character in underdoped Bi 2.2 Sr 1.8 Ca 0.8 Dy 0.2 Cu 2 O 8+δ . At low temperature, we observe dispersive excitations from an incommensurate CDW that induces anomalously enhanced phonon intensity, unseen using other techniques. Furthermore, near the pseudogap temperature T*, the CDW persists, but the associated excitations significantly weaken with an indication of CDW wavevector shift. The dispersive CDW excitations, phonon anomaly, and analysis of the CDW wavevector provide a comprehensive momentum-space picture of complex CDW behaviour and point to a closer relationship with the pseudogap state.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Dispersal, habitat filtering, and eco-evolutionary dynamics as drivers of local and global wetland viral biogeography

Abstract Wetlands store 20–30% of the world’s soil carbon, and identifying the microbial controls on these carbon reserves is essential to predicting feedbacks to climate change. Although viral infections likely play important roles in wetland ecosystem dynamics, we lack a basic understanding of wetland viral ecology. Here 63 viral size-fraction metagenomes (viromes) and paired total metagenomes were generated from three time points in 2021 at seven fresh- and saltwater wetlands in the California Bodega Marine Reserve. We recovered 12,826 viral population genomic sequences (vOTUs), only 4.4% of which were detected at the same field site two years prior, indicating a small degree of population stability or recurrence. Viral communities differed most significantly among the seven wetland sites and were also structured by habitat (plant community composition and salinity). Read mapping to a new version of our reference database, PIGEONv2.0 (515,763 vOTUs), revealed 196 vOTUs present over large geographic distances, often reflecting shared habitat characteristics. Wetland vOTU microdiversity was significantly lower locally than globally and lower within than between time points, indicating greater divergence with increasing spatiotemporal distance. Viruses tended to have broad predicted host ranges via CRISPR spacer linkages to metagenome-assembled genomes, and increased SNP frequencies in CRISPR-targeted major tail protein genes suggest potential viral eco-evolutionary dynamics in response to both immune targeting and changes in host cell receptors involved in viral attachment. Together, these results highlight the importance of dispersal, environmental selection, and eco-evolutionary dynamics as drivers of local and global wetland viral biogeography.

Environmental Sciences & Ecology↗
DOE OSTI2014

Do dispersive waves play a role in collisionless magnetic reconnection?

Using fully kinetic simulations, we demonstrate that the properly normalized reconnection rate is fast ∼0.1 for guide fields up to 80× larger than the reconnecting field and is insensitive to both the system size and the ion to electron mass ratio. These results challenge conventional explanations of reconnection based on fast dispersive waves, which are completely absent for sufficiently strong guide fields. In this regime, the thickness of the diffusion layer is set predominantly by the electron inertial length with an inner sublayer that is controlled by finite gyro-radius effects. As the Alfvén velocity becomes relativistic for very strong guide fields, the displacement current becomes important and strong deviations from charge neutrality occur, resulting in the build-up of intense electric fields which absorb a portion of the magnetic energy release. Over longer time scales, secondary magnetic islands are generated near the active x-line while an electron inertial scale Kelvin-Helmholtz instability is driven within the outflow. These secondary instabilities give rise to time variations in the reconnection rate but do not alter the average value.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Dispersion and damping rates of dispersive Alfvén wave in a nonextensive plasma

The dispersion and landau damping of the dispersive Alfvén waves (DAW) have been studied in the plasma with nonextensive electrons and ions. The conditions for the existence of inertial Alfvén waves (IAW) and kinetic Alfvén waves (KAW) are modified by electrons' nonextensive parameter q{sub e}. For IAW, β{sub q} ≪ m{sub e}/m{sub i}; for KAW, m{sub e}/m{sub i} ≪ β{sub q} ≪ 1, β{sub q} is the ratio of the effective thermal pressure to the magnetic pressure. In the plasma with superthermal particles, the frequency of the IAW and KAW will increase with the increase of q{sub e} when the effective temperature of the plasma systems keeps invariant. Whereas the damping rates of the IAW and KAW vary inversely with respect to q{sub e} for the reason that the phase velocity of KAW is much smaller than the effective thermal velocity, while the phase velocity of IAW is much bigger than the effective thermal velocity.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Suppression of grain growth in nanocrystalline Bi{sub 2}Te{sub 3} through oxide particle dispersions

The strategy of suppressing grain growth by dispersing nanoscale particles that pin the grain boundaries is demonstrated in a nanocrystalline thermoelectric compound. Yttria nanoparticles that were incorporated by mechanical alloying enabled nanocrystalline (i.e., d < 100 nm) Bi{sub 2}Te{sub 3} to be retained up to a homologous temperature of 0.94 T{sub m} for durations over which the grain size of the unreinforced compound grew to several microns. The nanostructure appeared to saturate at a grain size that depended on volume fraction (f) according to an f {sup −1/3} relationship, in accordance with theoretical models in the limit of high volume fractions of particles. Interestingly, at low temperatures, the particles stimulate enhanced grain growth over the unreinforced compound, due to particle-stimulated nucleation of recrystallization. To help prevent this effect, in-situ composites formed by internal oxidation of yttrium are compared with those made ex-situ by incorporation of yttria nanoparticles, with the result that the in-situ dispersion eliminates recrystallization at low temperatures and therefore improves nanostructure stabilization. These developments offer a pathway to thermally stabilized bulk nanocrystalline thermoelectrics processed via a powder route.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Spontaneous phase separation during self-assembly in bi-dispersed spherical iron oxide nanoparticle monolayers

Recent developments in the synthesis of iron oxide nanoparticles have resulted in the ability to fabricate roughly spherical particles with extremely high size uniformity (low polydispersity). These particles can form self-assembled monolayer films at an air-water interface. When the polydispersity of the particles is low, these monolayers can be well-ordered over a length scale dozens of times the particle size. The van der Waals force between the particles is what drives this self-assembly. Through the use of Grazing Incidence X-Ray Diffraction we demonstrate that, when these films are formed at the liquid surface from bi-dispersed solutions containing 10 and 20 nm spherical particles suspended in chloroform, the particles phase separate into well-ordered patches during the self-assembly process. Furthermore, the domain sizes of these phase separated regions are at most 2–3 times smaller than that of a film comprising only mono-dispersed particles and their degree of disorder is comparable. This is shown for multiple solutions with differing ratios of 10 and 20 nm particles.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Hydrodynamic dispersion in thin channels with micro-structured porous walls

Flowand transport within porous- and microtextured-walled channels is relevant to a number of natural and industrial processes. Designing and optimizing the topology of the pores and/or microstructure to achieve target performance at the system scale (or macroscale) is still an open question. In this work, we study whether hydrodynamic dispersion in microfluidic channels with walls structured by obstacles can be modeled by dispersion in channels with porous walls described as continuous porous media of zero or finite permeability. We perform single phase microfluidic non-reactive flow experiments in channels embedded in micropatterns with different topologies. Specifically, we focus on transverse riblets and arrays of pillars as examples of impermeable and permeable obstructions, respectively. We compare the experimental results with three models: 3D pore-scale simulations which resolve the micropattern geometry explicitly and two upscaled models which treat the micropattern as a continuum of zero or finite permeability. This study demonstrates that polydimethylsiloxane micromodels with appropriately patterned surfaces can be successfully employed to validate various continuum-scale modeling approximations in different physical regimes, identified by the order of magnitude of the Peclet number and the obstruction permeability.

Ling, Bowen↗
DOE OSTI2018

Dispersion-Based Fresh-Slice Scheme for Free-Electron Lasers

The fresh-slice technique improved the performance of several self-amplified spontaneous emission free-electron laser schemes by granting selective control on the temporal lasing slice without spoiling the other electron bunch slices. So far, the implementation has required a special insertion device to create the beam yaw, called a dechirper. Finally, we demonstrate a novel scheme to enable fresh-slice operation based on electron energy chirp and orbit dispersion that can be implemented at any free-electron laser facility without additional hardware.

47 OTHER INSTRUMENTATION↗
DOE OSTI2018

Urban Dispersion Virtual Workshop: Designing the Next Generation Urban Dispersion Field Programs

The overarching objective of this workshop is to start the process of planning and implementing the “Next Generation of Urban Dispersion Studies”. We have organized this program to bring people interested in this complex problem together. We have representation from different disciplines, different agencies, and different academic institutions. The workshop is organized around several questions: • What are the needs of the emergency response community and how do we design models and experiments to address them? • What model improvements do the user communities need? • How do we design tracer release and sampling to address questions temporal (e.g., diurnal and seasonal variation) and spatial (e.g., land/urban/water gradients) for the broadest applicability? • What are the next-generation measurements needed to improve the data sets? • How do we implement the next generation urban dispersion experiments? The Virtual workshop format is exciting. We view this as an experiment which, if successful, will bring a large group of people together from the community to design the next generation urban experiments. We have many agencies participating: DOE-BER, DHS, FEMA, NNSA, NARAC, DTRA, NYPD, and NIST. The registration list includes over 40 people including participants from well beyond the US including Spain and Canada.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2004

Support the Design of Improved IUE NEWSIPS High Dispersion Extraction Algorithms: Improved IUE High Dispersion Extraction Algorithms

The objective of this work was to support the design of improved IUE NEWSIPS high dispersion extraction algorithms. The purpose of this work was to evaluate use of the Linearized Image (LIHI) file versus the Re-Sampled Image (SIHI) file, evaluate various extraction, and design algorithms for evaluation of IUE High Dispersion spectra. It was concluded the use of the Re-Sampled Image (SIHI) file was acceptable. Since the Gaussian profile worked well for the core and the Lorentzian profile worked well for the wings, the Voigt profile was chosen for use in the extraction algorithm. It was found that the gamma and sigma parameters varied significantly across the detector, so gamma and sigma masks for the SWP detector were developed. Extraction code was written.

Lawton, Pat↗
DOE OSTI2020

Aqueous dispersions, coating compositions formed with aqueous dispersions, and multi-layer coatings

An aqueous dispersion includes an aqueous medium and self-crosslinkable core-shell particles dispersed in the aqueous medium. The core-shell particles include (1) a polymeric core at least partially encapsulated by (2) a polymeric shell having urethane linkages, keto and/or aldo functional groups, and hydrazide functional groups. Further, the polymeric core is covalently bonded to at least a portion of the polymeric shell.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Conservative numerical schemes with optimal dispersive wave relations: Part I. Derivation and analysis

An energy-conserving and an energy-and-enstrophy conserving numerical schemes are derived by approximating the Hamiltonian formulation of the inviscid shallow water flows based on the vorticity-divergence variables. These schemes also conserve the first-order moments such as mass and vorticity, as usual. The conservative properties of the schemes stem from the skew-symmetry and singularities of the Poisson brackets, which are carefully retained in the discrete approximations. Here, the schemes operate on unstructured orthogonal dual meshes, over bounded or unbounded domains, and they are also shown to possess the same optimal dispersive wave relations as those of the Z-grid scheme, which is a consequence of the use of the vorticity and divergence variables.

54 ENVIRONMENTAL SCIENCES↗