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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 OSTI2024

Solvation Structure of Methanol-in-Salt Electrolyte Revealed by Small-Angle X-ray Scattering and Simulations

The solvation structure of water-in-salt electrolytes was thoroughly studied, and two competing structures—anion solvated structure and anion network—were well-defined in recent publications. To further reveal the solvation structure in those highly concentrated electrolytes, particularly the influence of solvent, methanol was chosen as the solvent for this proposed study. In this work, small-angle X-ray scattering, small-angle neutron scattering, Fourier-transform infrared spectroscopy, and Raman spectroscopy were utilized to obtain the global and local structural information. With the concentration increment, the anion network formed by TFSI - became the dominant structure. Meanwhile, the hydrogen bonds among methanol were interrupted by the TFSI - anion and formed a new connection with them. Further, molecular dynamic simulations with two different force fields (GAFF and OPLS-AA) are tested, and GAFF agreed with synchrotron small-angle X-ray scattering/wide-angle X-ray scattering (SAXS/WAXS) results well and provided insightful information about molecular/ion scale solvation structure. This article not only deepens the understanding of the solvation structure in highly concentrated solutions, but more importantly, it provides additional strong evidence for utilizing SAXS/WAXS to validate molecular dynamics simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Characterization of microstructure and texture across dissimilar super duplex/austenitic stainless steel weldment joint by super duplex filler metal

In the present paper, microstructural changes across an as-welded dissimilar austenitic/duplex stainless steel couple welded by a super duplex stainless steel filler metal using gas tungsten arc welding process is characterized with optical microscopy and electron back-scattered diffraction techniques. Accordingly, variations of microstructure, texture, and grain boundary character distribution of base metals, heat affected zones, and weld metal were investigated. The results showed that the weld metal, which was composed of Widmanstätten austenite side-plates and allotriomorphic grain boundary austenite morphologies, had the weakest texture and was dominated by low angle boundaries. The welding process increased the ferrite content but decreased the texture intensity at the heat affected zone of the super duplex stainless steel base metal. In addition, through partial ferritization, it changed the morphology of elongated grains of the rolled microstructure to twinned partially transformed austenite plateaus scattered between ferrite textured colonies. However, the texture of the austenitic stainless steel heat affected zone was strengthened via encouraging recrystallization and formation of annealing twins. At both interfaces, an increase in the special character coincident site lattice boundaries of the primary phase as well as a strong texture with <100> orientation, mainly of Goss component, was observed. - Graphical abstract: Display Omitted - Highlights: • Weld metal showed local orientation at microscale but random texture at macroscale. • Intensification of <100> orientated grains was observed adjacent to the fusion lines. • The austenite texture was weaker than that of the ferrite in all duplex regions. • Welding caused twinned partially transformed austenites to form at SDSS HAZ. • At both interfaces, the ratio of special CSL boundaries of the primary phase increased.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Local structural behavior of PbZr 0.5 Ti 0.5 O 3 during electric field application via in situ pair distribution function study

Here, the local structural behavior of PbZr 0.5 Ti 0.5 O3 (PZT 50/50) ceramics during application of an electric field was investigated using pair distribution function (PDF) analysis. In situ synchrotron total scattering was conducted, and the PDFs were calculated from the Fourier transform of the total scattering data. The PDF refinement of the zero-field data suggests a local-structure model with [001] Ti-displacement and negligible Zr-displacement. The directional PDFs at different field amplitudes indicate the bond-length distribution of the nearest Pb-B (B = Zr/Ti) pair changes significantly with the field. The radial distribution functions (RDFs) of a model for polarization rotation were calculated. The calculated and the experimental RDFs are consistent. This result suggests the changes in Pb-B bond-length distribution could be dominantly caused by polarization rotation. Peak fitting of the experimental RDFs was also conducted. The peak position trends with increasing field are mostly in agreement with the calculation result of the polarization rotation model. The area ratio of the peaks in the experimental RDFs also changed with field amplitude, indicating that Zr atoms have a detectable displacement driven by the electric field. Our study provides an experimental observation of the behaviors of PZT 50/50 under field at a local scale which supports the polarization rotation mechanism.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Pressure‐induced polyamorphism in lanthanide‐solute metallic glasses

The electronic structure inheritance of lanthanide‐solvent atoms in lanthanide‐based metallic glasses has been proposed. Is a polyamorphism possible in lanthanide‐solute metallic glasses? So far, polyamorphic phase transitions in metallic glass containing lanthanide have been observed only in lanthanide‐solvent metallic glasses. Here, a pressure‐induced transition between two distinct amorphous states, accompanied by a 7% volume collapse at ambient pressure, was observed in La 43.4 Pr 18.6 Al 14 Cu 24 metallic glass, with low lanthanide content, by using in situ X‐ray total scattering method. The transformation also indicated by changes in short range and medium range order. Thus, it is proposed that the lanthanide‐solute metallic glasses also inherit 4 f electronic transition from pure lanthanide element in polyamorphic transition. This discovery offers a supplement to research on lanthanide‐based metallic glasses, which further provides a new perspective of the polyamorphic transformation in metallic glasses containing lanthanide element.

Li, Liangliang↗
DOE OSTI2018

Effect of nanographene platelets on adsorption and sonophotocatalytic performances of TiO2/CuO composite for removal of organic pollutants

Highlights: • TiO{sub 2}/CuO composite incorporated with nanographene platelets (NGP). • Catalytic ability of TiO{sub 2}/CuO/NGP composite for removal of MB investigated. • Better adsorption ability for MB compared to TiO{sub 2}/CuO composite without NGP. • Adsorption ability increases with increasing NGP content up to optimal level. • TiO{sub 2}/CuO/NGP with 10 wt% NGP exhibits best photo- and sonophoto-catalysis. - Abstract: TiO{sub 2}/CuO composites incorporated with different amounts of nanographene platelets (NGP) were synthesized by hydrothermal processing. The TiO{sub 2}/CuO/NGP composite was characterized by X-ray diffraction, transmission electron microscopy, energy-dispersive X-ray spectroscopy, X-ray photoelectron spectroscopy, dynamical light scattering, Raman spectroscopy, Fourier–transform infrared spectroscopy, ultraviolet (UV)-visible diffuse reflectance spectroscopy, Brunauer—Emmett—Teller (BET) surface area analysis, and electron spin resonance. The catalytic ability of the composite for the removal of methylene blue from an aqueous solution was examined by adsorption, photocatalytic, and sonophotocatalytic experiments. The composite was found to exhibit better adsorption ability for methylene blue compared to the TiO{sub 2}/CuO composite without NGP. The photocatalytic activity of the composite was examined by UV and visible (Vis) light irradiation, while the sonophotocatalytic activity was examined by a combination of UV and Ultrasound (UV + US) and Vis + US. Both examinations showed that the light and ultrasonic responses were enhanced by compositing with NGP.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Giant Electrostriction via Nanodomain Engineering in Relaxor Ferroelectric Polymers

Relaxor ferroelectric (RFE) polymers hold great promise for artificial muscles due to their high actuation strain, high loading stress, and fast response. However, the structural origin underlying their large electrostrictive deformation remains elusive. In this study, we investigate poly(vinylidene fluoride-co-trifluoroethylene) [P(VDF-TrFE)]-based RFE terpolymers, incorporating 1,1-chlorofluoroethylene (CFE) or chlorotrifluoroethylene (CTFE) (the terpolymers are denoted as terP-CFE and terP-CTFE, respectively) as termonomers. Although both terpolymers show similar semicrystalline morphology, drastically different electrostrictive properties are observed. Specifically, the terP-CFE annealed at 100 °C achieves a record-high transverse strain of ∼10.6%, whereas 100 °C-annealed terP-CTFE only shows a much lower actuation strain of ∼4.2% at the same poling field of 190 MV/m. To elucidate the origin of this difference, time-resolved wide-angle X-ray diffraction, small-angle X-ray scattering, and Fourier transform infrared experiments are performed during in situ electric poling. An RFE-to-ferroelectric (FE) crystal phase transition is observed for terP-CFE but is absent for terP-CTFE. Beyond the contribution of the crystalline phase, the oriented amorphous fraction and crystalline defects (e.g., taut-tie molecules) also play significant roles in enhancing electrostriction. In conclusion, this mechanistic insight provides a valuable foundation for the rational design of next-generation RFE polymers with tunable properties through defect engineering of their semicrystalline structures.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Direct recovery of interfacial topography from coherent X-ray reflectivity: model calculations for a 1D interface

The use of coherent X-ray reflectivity to recover interfacial topography is described using model calculations for a one-dimensional interface. The results reveal that the illuminated topography can be recovered directly from the measured reflected intensities. This is achieved through an analysis of the Patterson function, the Fourier transform of the scattering intensity (as a function of lateral momentum transfer, Q // , at fixed vertical momentum transfer, Q z ). Specifically, a second-order Patterson function is defined that reveals the discrete set of separations and contrast factors (i.e., the product of changes in the effective scattering factor) associated with discontinuities in the effective interfacial topography. Finally, it is shown that the topography is significantly over-determined by the measurements, and an algorithm is described that recovers the actual topography through a deterministic sorting of this information.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Collaborative Research: Neutrinos and Nucleosynthesis in Hot Dense Matter

The major accomplishments of the research activity at NC State during the five years were: to determine the effects and signatures of turbulence in supernova, to calculate r-process and supernova nucleosynthesis, and to determine the neutrino scattering and flavor transformation that occurs in black hole accretion disks. This report goes into more detail on them.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1978

The effective penetration distance of ultrahigh-energy electrons and photons traversing a cosmic blackbody photon gas

The effective average energy loss for an energetic (at least about 10 to the 15th power eV) particle traversing the microwave background radiation is evaluated. Electron-photon transformations by Compton scattering and pair production (in photon-photon collisions) are computed, with the energy loss considered to be carried away by the least energetic of the outgoing particles. Considering the most energetic of the outgoing particles as the high-energy particle, the relative probability and mean time for the particle to be a photon or electron (or positron) is evaluated. The effects of synchrotron losses for electrons and positrons are emphasized and compared with Compton losses to determine a critical energy (for given magnetic field) above which synchrotron losses dominate. Magnetic deflections are also treated for the case where the magnetic field is disordered, having a characteristic 'cell' size.

Gould, R. J.↗
NASA NTRS1987

Transparent Analogs for Alloy Phase Studies

Report describes experiments to add information to data base supporting use of transparent, partially miscible liquids and solids as analogs in studies of alloy solidification. Behavior of these materials observed directly while they undergo liquid/liquid and liquid/solid phase transformations. Light-scattering techniques used to determine phase boundaries. Transparent analogs allow observation of both solidification patterns and processes leading to those patterns, whereas metal alloys require tedious post-solidification metallographic analyses because processes not generally observed. Experiments with transparent substances safer and cheaper since conducted at much lower temperatures.

Frazier, D. O.↗
NASA NTRS2011

Statistical Analysis of an Infrared Thermography Inspection of Reinforced Carbon-Carbon

Each piece of flight hardware being used on the shuttle must be analyzed and pass NASA requirements before the shuttle is ready for launch. One tool used to detect cracks that lie within flight hardware is Infrared Flash Thermography. This is a non-destructive testing technique which uses an intense flash of light to heat up the surface of a material after which an Infrared camera is used to record the cooling of the material. Since cracks within the material obstruct the natural heat flow through the material, they are visible when viewing the data from the Infrared camera. We used Ecotherm, a software program, to collect data pertaining to the delaminations and analyzed the data using Ecotherm and University of Dayton Log Logistic Probability of Detection (POD) Software. The goal was to reproduce the statistical analysis produced by the University of Dayton software, by using scatter plots, log transforms, and residuals to test the assumption of normality for the residuals.

Comeaux, Kayla↗
NASA NTRS1991

Unsaturated Comptonization of isotropic photon spectra by relativistic electrons

The multiple scattering approach for evaluating the transformation of an arbitrary soft photon spectrum as a result of unsaturated Compton scatterings in a medium of relativistic electrons is explored. The medium is assumed to be infinite and spatially homogeneous but may be time-dependent, and the photons are isotropic. It is shown that the distortion of a radiation spectrum can be described analytically in a compact form using the Fourier transform of the single-scattering probability. In the nonrelativistic case, the validity of the known analytical results derived from the Kompaneets (1957) equation is extended to arbitrary electron distribution functions and photon spectra. For relativistic electrons, simple expressions are obtained for the total energy that is transferred from the electrons to the photons and for the distortion in the Rayleigh-Jeans regime of a blackbody spectrum. It is demonstrated that the treatment applies to Comptonization in a relativistic jet and that Comptonization of very soft trapped photons by semirelativistic electrons in an expanding medium leads naturally to a log Gaussian spectrum, of the form observed in blazars.

Loeb, Abraham↗
DOE OSTI2024

Dynamic Transformation of High-Architectural Nanocrystal Superlattices upon Solvent Molecule Exposure

The cluster-based body-centered-cubic superlattice (cBCC SL) represents one of the most complicated structures among reported nanocrystal assemblies, comprised of 72 truncated tetrahedral quantum dots per unit cell. Our previous report revealed that truncated tetrahedral quantum dots within cBCC SLs possessed highly controlled translational and orientational order owing to an unusual energetic landscape based on the balancing of entropic and enthalpic contributions during the assembly process. However, the cBCC SL’s structural transformability and mechanical properties, uniquely originating from such complicated nanostructures, have yet to be investigated. Herein, we report that cBCC SLs can undergo dynamic transformation to face-centered-cubic SLs in response to post-assembly molecular exposure. We monitored the dynamic transformation process using in situ synchrotron-based small-angle X-ray scattering, revealing a dynamic transformation involving multiple steps underpinned by interactions between incoming molecules and TTQDs’ surface ligands. Furthermore, our mechanistic study demonstrated that the precise configuration of TTQDs’ ligand molecules in cBCC SLs was key to their high structural transformability and unique jelly-like soft mechanical properties. While ligand molecular configurations in nanocrystal SLs are often considered minor features, our findings emphasize their significance in controlling weak van der Waals interactions between nanocrystals within assembled SLs, leading to previously unremarked superstructural transformability and unique mechanical properties. Finally, our findings promote a facile route toward further creation of soft materials, nanorobotics, and out-of-equilibrium assemblies based on nanocrystal building blocks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Water-induced nanochannel networks in self-assembled block ionomers

Block ionomers cast from solution exhibit solvent-templated morphologies that can be altered by solvent-vapor annealing. When cast from a mixed solvent, a midblock-sulfonated pentablock ionomer self-assembles into spherical ionic microdomains that are loosely connected. Upon exposure to liquid water, nanoscale channels irreversibly develop between the microdomains due to swelling and form a continuous mesoscale network. In this work, we use electron tomography and real-time X-ray scattering to follow this transformation and show that the resultant morphology provides a highly effective diffusive pathway.

36 MATERIALS SCIENCE↗
DOE OSTI2019

A spherical harmonic transform approach to the indexing of electron back-scattered diffraction patterns

A new approach is proposed for the indexing of electron back-scattered diffraction (EBSD) patterns. The algorithm employs a spherical master EBSD pattern and computes its cross-correlation with a back-projected experimental pattern using the spherical harmonic transform (SHT). This approach is significantly faster than the recent dictionary indexing algorithm, but shares the latter’s robustness against noise. The underlying theory is presented, followed by example applications, one on a series of Ni EBSD data sets recorded with decreasing signal-to-noise ratio, the other on a large shot-peened Al data set. The dependence of indexing speed and memory usage on the SHT bandwidth is explored. The speed gains of the new algorithm are achieved by executing real-valued Fast Fourier Transforms, explicitly incorporating crystallographic symmetry in the cross-correlation computation, and using efficient loop ordering to improve the caching behavior. The algorithm produces a cross-correlation array in the zyz Euler space; an orientation refinement procedure is proposed based on analytical derivatives of the Wigner d functions. As a result, the new approach can be applied to any diffraction modality for which the scattered intensity can be represented on a spherical surface.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Effects of mosaic crystal instrument functions on x-ray Thomson scattering diagnostics

Mosaic crystals, with their high integrated reflectivities, are widely employed in spectrometers used to diagnose high energy density systems. X-ray Thomson scattering (XRTS) has emerged as a powerful diagnostic tool of these systems, providing in principle direct access to important properties such as the temperature via detailed balance. However, the measured XRTS spectrum is broadened by the spectrometer instrument function (IF), and without careful consideration of the IF one risks misdiagnosing system conditions. Here, we consider in detail the IF of 40 and 100 μm mosaic Highly Annealed Pyrolytic Graphite crystals, and how the broadening varies across the spectrometer in an energy range of 6.7–8.6 keV. Notably, we find a strong asymmetry in the shape of the IF toward higher energies. As an example, we consider the effect of the asymmetry in the IF on the temperature inferred via XRTS for simulated 80 eV CH plasmas and find that the temperature can be overestimated if an approximate symmetric IF is used. We, therefore, expect a detailed consideration of the full IF will have an important impact on system properties inferred via XRTS in both forward modeling and model-free approaches.

47 OTHER INSTRUMENTATION↗
DOE OSTI2017

The asymptotic behaviour of the scattering matrix in a neighbourhood of the endpoints of a spectral gap

The behaviour of the scattering matrix is investigated as the spectral parameter approaches an endpoint of a spectral gap of a quantum waveguide from the inside or the outside. The waveguide has two sleeves, one is cylindrical and the other periodic. When the spectral parameter traverses the spectral gap, the scattering matrix is reshaped because the number of waves inside and outside the gap is different. Notwithstanding, the smaller scattering matrix (in size) is transformed continuously into an identical block in the bigger scattering matrix and, in addition, the latter takes block diagonal form in the limit at the endpoint of the gap, that is, at the spectral threshold. The unexpected phenomena are related to the other block. It is shown that in the limit this block can only take certain values at the threshold, and taking one or other of these values depends on the structure of the continuous spectrum and also on the structure of the subspace of 'almost standing' waves at the threshold, which are solutions of the homogeneous problem that transfer no energy to infinity. A criterion for the existence of such solutions links the dimension of this subspace to the multiplicity of the eigenvalue −1 of the threshold scattering matrix. Asymptotic formulae are obtained, which show, in particular, that the phenomenon of anomalous scattering of high-amplitude waves at near-threshold frequencies, discovered by Weinstein in a special acoustic problem, also occurs in periodic waveguides. Bibliography: 38 titles. (paper)

97 MATHEMATICS AND COMPUTING↗