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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Dispersive X-ray absorption spectroscopy using independent grazing-incidence focusing and convexly bent Bragg-crystal dispersing optics

We present a modular instrument for dispersive X-ray absorption spectroscopy (DXAS) developed for the Advanced Spectroscopy Beamline at Sector 25 of the Advanced Photon Source. The setup employs a double-multilayer monochromator to provide X-rays with a broad energy bandwidth, Kirkpatrick–Baez mirrors for focusing, a convexly bent Bragg-crystal polychromator for energy dispersion, and a pixel-array detector to resolve all X-ray energies and collect their intensity simultaneously, thereby enabling acquisition of a full X-ray absorption spectrum in a single shot. The use of separate optics for X-ray focusing and energy dispersion provides high spatial resolution and avoids chromatic aberrations inherent in focusing bent-crystal optics, and a modular design makes implementation of the technique at other beamlines possible without requiring modifications to the upstream beamline configurations. Theoretical calculations are performed to determine optimal instrument operating parameters and demonstrate that an energy resolution better than the K-edge core-hole lifetime broadening can be maintained while providing a sufficient bandwidth for X-ray absorption near-edge structure spectroscopy through the full operating range of 5–11 keV. Additionally, instrument design, data analysis methods, and initial DXAS results on lithium–manganese–nickel oxide laminates are presented.

47 OTHER INSTRUMENTATION↗
DOE OSTI2015

Eulerian network modeling of longitudinal dispersion: EULERIAN NETWORK MODELING OF DISPERSION

A novel Eulerian network model that incorporates “shear dispersion,” the stretching of solute due to nonuniform velocity profiles within pore throats is developed. The superposing transport method (STM) is nonlocal in time (i.e., uses information from several previous time steps) and is equivalent to performing network-wide time convolutions of elementary throat response functions. Predicted macroscopic longitudinal dispersion coefficients for disordered sphere packs are in good agreement with published experimental data. We further investigate the impact of mixing assumptions within pores on macroscopic longitudinal dispersion and find the dependence to be weak for disordered sphere packs. Limitations of Eulerian network models as a whole are also discussed, and their inappropriateness for ordered porous media concluded.

58 GEOSCIENCES↗
DOE OSTI2019

Single‐Particle Tracking for Understanding Polydisperse Nanoparticle Dispersions

Abstract Colloidal dispersions of nanomaterials are often polydisperse in size, significantly complicating their characterization. This is particularly true for materials early in their historical development due to synthetic control, dispersion efficiency, and instability during storage. Because a wide range of system properties and technological applications depend on particle dimensions, it remains an important problem in nanotechnology to identify a method for the routine characterization of polydispersity in nanoparticle samples, especially changes over time. Commonly employed methods such as dynamic light scattering or analytical ultracentrifugation (AUC) accurately estimate only the first moment of the distribution or are not routine. In this work, the use of single‐particle tracking (SPT) to probe size distributions of common nanoparticle dispersions, including polystyrene nanoparticles, single‐walled carbon nanotubes, graphene oxide, chitosan‐tripolyphosphate, acrylate, hexagonal boron nitride, and poly(lactic‐ co ‐glycolic acid), is proposed and explored. The analysis of particle tracks is conducted using a newly developed Bayesian algorithm that is called Maximum A posteriori Nanoparticle Tracking Analysis. By combining SPT and AUC techniques, it is shown that it is possible to independently estimate the mean aspect ratio of anisotropic particles, an important characterization property. It is concluded that SPT provides a facile, rapid analytical method for routine nanomaterials characterization.

Gong, Xun↗
DOE OSTI2020

Enhancement of high-temperature selectivity on Cu-SSZ-13 towards NH3-SCR reaction from highly dispersed ZrO2

ZrO2 is introduced as a secondary phase to Cu-SSZ-13 via different approaches and tested for the NH3-SCR reaction. It is shown that the vicinity between the two catalyst phases, i.e., ZrO2 dispersion, influences interaction between copper oxide (CuOx) on Cu-SSZ-13 and ZrO2. A strong interaction is achieved when ZrO2 is formed with high dispersion on Cu-SSZ-13, and leads to the chemical interaction of CuOx and ZrO2 in hydrothermally aged catalysts. The result is formation of a Cu-stabilized t-ZrO2 phase which greatly hinders the non-selective NH3 oxidation due to CuOx. With reduced ZrO2 dispersion and less Cu-SSZ-13 and ZrO2 interaction, the beneficial role of ZrO2 is diminished. This strategy of CuOx passivation is able to significantly enhance the high-temperature selectivity of the state-of-the-art NH3-SCR catalytic system while mitigating the adverse impact of CuOx clusters on the zeolite, potentially enabling higher Cu-content SCR catalysts and improved low-temperature activity.

NH3-SCR, ZrO2, selective catalytic reduction, afte↗
DOE OSTI2018

Dispersion and Mixing in Three-Dimensional Discrete Fracture Networks: Nonlinear Interplay Between Structural and Hydraulic Heterogeneity: DISPERSION AND MIXING-REGULAR VERSUS DISORDERED NETWORKS

We investigate the relative impact of topological, geometric, and hydraulic heterogeneity on transport processes in three-dimensional fracture networks. Focusing on the two largest scales of heterogeneity in these systems, individual fracture and network structure, we compare transport through analogous structured and disordered three-dimensional fracture networks with varying degrees of hydraulic heterogeneity. For the moderate levels of hydraulic heterogeneity we consider, network structure is the dominant control of transport through the networks. Less dispersion, both longitudinal and transverse, is observed in structured networks than in disordered networks, due in part to the higher connectivity in the former, independent of the level of hydraulic heterogeneity. However, increases in dispersion with higher hydraulic heterogeneity are larger in the disordered networks than in the structured networks, thereby indicating that the interplay between structural and hydraulic heterogeneity is nonlinear. Here, we propose a measure of disorder in fracture networks by computing the Shannon entropy of the spectrum of the Laplacian of a weighted graph representation of the networks, where the weights are given by a combination of topological, geometric, and hydraulic properties. Finally, this metric, as a relative indicator by comparison between two networks, is a first approach to the dispersion potential and “mixing capacity” of a fracture network.

58 GEOSCIENCES↗
DOE OSTI2016

Crossover from disordered to core-shell structures of nano-oxide Y 2 O 3 dispersed particles in Fe

Here, molecular dynamic simulations of Y 2 O 3 in bcc Fe and transmission electron microscopy (TEM) observations were used to understand the structure of Y 2 O 3 nano-clusters in an oxide dispersion strengthened steel matrix. The study showed that Y 2 O 3 nano-clusters below 2 nm were completely disordered. Y 2 O 3 nano-clusters above 2 nm, however, form a core-shell structure, with a shell thickness of 0.5–0.7 nm that is independent of nano-cluster size. Y 2 O 3 nano-clusters were surrounded by off-lattice Fe atoms, further increasing the stability of these nano-clusters. TEM was used to corroborate our simulation results and showed a crossover from a disordered nano-cluster to a core-shell structure.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Optical smoothing of laser imprinting in planar-target experiments on OMEGA EP using multi-FM 1-D smoothing by spectral dispersion

Direct-drive ignition on the National Ignition Facility (NIF) requires single-beam smoothing to minimize imprinting of laser nonuniformities that can negatively affect implosion performance. One-dimensional, multi-FM smoothing by spectral dispersion (SSD) has been proposed to provide the required smoothing [Marozas et al., Bull. Am. Phys. Soc. 55, 294 (2010)]. A prototype multi-FM SSD system has been integrated into the NIF-like beamline of the OMEGA EP Laser System. Experiments have been performed to verify the smoothing performance by measuring Rayleigh–Taylor growth rates in planar targets of laser-imprinted and preimposed surface modulations. Multi-FM 1-D SSD has been observed to reduce imprint levels by ∼50% compared to the nominal OMEGA EP SSD system. The experimental results are in agreement with 2-D DRACO simulations using realistic, time-dependent far-field spot-intensity calculations that emulate the effect of SSD.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

The interplay of covalency, hydrogen bonding, and dispersion leads to a long range chiral network: The example of 2-butanol

The assembly of complex structures in nature is driven by an interplay between several intermolecular interactions, from strong covalent bonds to weaker dispersion forces. Understanding and ultimately controlling the self-assembly of materials requires extensive study of how these forces drive local nanoscale interactions and how larger structures evolve. Surface-based self-assembly is particularly amenable to modeling and measuring these interactions in well-defined systems. This study focuses on 2-butanol, the simplest aliphatic chiral alcohol. 2-butanol has recently been shown to have interesting properties as a chiral modifier of surface chemistry; however, its mode of action is not fully understood and a microscopic understanding of the role non-covalent interactions play in its adsorption and assembly on surfaces is lacking. In order to probe its surface properties, we employed high-resolution scanning tunneling microscopy and density functional theory (DFT) simulations. We found a surprisingly rich degree of enantiospecific adsorption, association, chiral cluster growth and ultimately long range, highly ordered chiral templating. Firstly, the chiral molecules acquire a second chiral center when adsorbed to the surface via dative bonding of one of the oxygen atom lone pairs. This interaction is controlled via the molecule’s intrinsic chiral center leading to monomers of like chirality, at both chiral centers, adsorbed on the surface. The monomers then associate into tetramers via a cyclical network of hydrogen bonds with an opposite chirality at the oxygen atom. The evolution of these square units is surprising given that the underlying surface has a hexagonal symmetry. Our DFT calculations, however, reveal that the tetramers are stable entities that are able to associate with each other by weaker van der Waals interactions and tessellate in an extended square network. This network of homochiral square pores grows to cover the whole Au(111) surface. Our data reveal that the chirality of a simple alcohol can be transferred to its surface binding geometry, drive the directionality of hydrogen-bonded networks and ultimately extended structure. Furthermore, this study provides the first microscopic insight into the surface properties of this important chiral modifier and provides a well-defined system for studying the network’s enantioselective interaction with other molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Optical heterodyne-enhanced chirped laser dispersion spectroscopy

A proof-of-concept heterodyne-enhanced chirped laser dispersion spectroscopy system is presented. In remote sensing systems where low return powers are expected, the addition of an optical local oscillator and subsequent nonlinear processing can provide improved performance in chirped laser dispersion spectroscopy. Here, details about the system configuration, phase noise cancellation, and experimental verification are discussed.

03 NATURAL GAS↗