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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 1,135 records · Page 63
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Structural properties of a-Si films and their effect on aluminum induced crystallization

In this paper, we report the influence of the structural properties of amorphous silicon (a-Si) on its subsequent crystallization behavior via the aluminum induced crystallization (AIC) method. Two distinct a-Si deposition techniques, electron beam evaporation and plasma enhanced chemical vapor deposition (PECVD), are compared for their effect on the overall AIC kinetics as well as the properties of the final poly-crystalline (poly-Si) silicon film. Raman and FTIR spectroscopy results indicate that the PECVD grown a-Si films has higher intermediate-range order, which is enhanced for increased hydrogen dilution during deposition. With increasing intermediate-range order of the a-Si, the rate of AIC is diminished, leading larger poly-Si grain size.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Modification of the G-phonon mode of graphene by nitrogen doping

The effect of nitrogen doping on the phonon spectra of graphene is analyzed. In particular, we employ first-principles calculations and scanning Raman analysis to investigate the dependence of phonon frequencies in graphene on the concentration of nitrogen dopants. We demonstrate that the G phonon frequency shows oscillatory behavior as a function of nitrogen concentration. We analyze different mechanisms which could potentially be responsible for this behavior, such as Friedel charge oscillations around the localized nitrogen impurity atom, the bond length change between nitrogen impurity and its nearest neighbor carbon atoms, and the long-range interactions of the nitrogen point defects. We show that the bond length change and the long range interaction of point defects are possible mechanisms responsible for the oscillatory behavior of the G frequency as a function of nitrogen concentration. At the same time, Friedel charge oscillations are unlikely to contribute to this behavior.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Zone-center phonons in yellow phase CsSnI 3

Here, the zone-center phonons are calculated for yellow phase CsSnI 3 using density functional perturbation theory in a plane-wave pseudopotential method. The infrared absorption and reflection spectra are simulated and show that the absorption has a strong contribution from the LO as well as TO modes. The polarization-dependent Raman spectra for various configurations are simulated. The results for the Raman and the infrared reflectionspectra are found to be in good agreement with the available experimental data when averaging over directions.The Born effective charges and high- and low-frequency dielectric tensors are calculated. The ratio of the static to the high-frequency dielectric constants is high in the y direction.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Metaoptics Enabled Multifunctional Imaging

Despite the fact that most microorganisms occupy two- and three-dimensional space in heterogeneous arrangements and in proximity to other microorganisms of different species, much of our current knowledge about their metabolic processes is derived from homogenizing, then analyzing, the chemical content of cultures containing a single microbial species. This project addressed this fundamental dichotomy by developing a set of optical imaging principles combining multiple new technologies. The imaging strategies developed in this project combine metaoptics structures with active in situ nanoscale control of the chemical environment and applied them to a microbial system, Myxococcus xanthus, with particular relevance to the DoE mission. The combination of metaoptical architectures and nanoscale control over the molecular environment enables: (a) precise control over the electromagnetic (EM) field at length scales smaller than the wavelength of light; (b) control of the interaction of the EM field with critical molecular systems in DOE relevant microbes; (c) control over the chemical environment – especially the presence and quantity of reactive oxygen species (ROS) that can affect redox homeostasis; and (d) the ability to ask new kinds of questions not accessible to ‘omics’ approaches or standard methods of biological imaging. These capabilities are applicable to detailed studies of metabolic pathways in microbes and to lignocellulosic biomass deconstruction. To accomplish these objectives, we pursued two over-arching technical goals: (1) the development of new metaoptics-enabled approaches to imaging and spectroscopic characterization; and (2) the development of tools to control the chemical environment of a microbial sample with nanometer-scale precision. Goal 1 was addressed through the design, fabrication, and characterization of new metasurfaces capable of super-resolution imaging through extreme confinement of the optical field. Goal 2 was addressed by controlling the redox potential on the nanoscale in microbial communities and characterizing their effect on intrinsic bacterial fluorophores which act as molecular sentinels and through characterization of soluble factors secreted by Myxococcus xanthus by confocal Raman imaging. The optical imaging/sensing approaches developed here make it possible to use these powerful new imaging and sensing modalities in metabolic studies by making it possible to visualize and track the spatial and temporal expression patterns of natural or engineered pathways in microorganisms.

09 BIOMASS FUELS↗
NASA NTRS1993

Monte Carlo and experimental studies of nozzle flow in a low-power hydrogen arcjet

The flow in the nozzle of a small hydrogen arcjet intended for low-thrust propulsion is studied without arc ignition using numerical and experimental techniques. The flow conditions in the thruster indicate that low-density nonequilibrium effects will significantly influence the flow. Therefore, the numerical analysis is undertaken using a Monte Carlo approach. The experimental studies employ laser Raman scattering. Comparisons of the measured and computed results are made for total number density, rotational temperature, and for the number density of the first rotational level. The numerical results are found to be quite sensitive to the rotational relaxation rate, and a strong degree of thermal nonequilibrium is observed at the exit plane of the nozzle. Successful comparisons between experiment and analysis permit estimation of the rotational relaxation rate for hydrogen.

Boyd, Iain D.↗
NASA NTRS1997

Rocket Ejector Studies for Application to RBCC Engines: An Integrated Experimental/CFD Approach

Recent interest in low cost, reliable access to space has generated increased interest in advanced technology approaches to space transportation systems. A key to the success of such programs lies in the development of advanced propulsion systems capable of achieving the performance and operations goals required for the next generation of space vehicles. One extremely promising approach involves the combination of rocket and air- breathing engines into a rocket-based combined-cycle engine (RBCC). A key element of that engine is the rocket ejector which is utilized in the zero to Mach two operating regime. Studies of RBCC engine concepts are not new and studies dating back thirty years are well documented in the literature. However, studies focused on the rocket ejector mode of the RBCC cycle are lacking. The present investigation utilizes an integrated experimental and computation fluid dynamics (CFD) approach to examine critical rocket ejector performance issues. In particular, the development of a predictive methodology capable of performance prediction is a key objective in order to analyze thermal choking and its control, primary/secondary pressure matching considerations, and effects of nozzle expansion ratio. To achieve this objective, the present study emphasizes obtaining new data using advanced optical diagnostics such as Raman spectroscopy and CFD techniques to investigate mixing in the rocket ejector mode. A new research facility for the study of the rocket ejector mode is described along with the diagnostic approaches to be used. The CFD modeling approach is also described along with preliminary CFD predictions obtained to date.

Pal, S.↗
NASA NTRS2003

NASA Tech Briefs, July 2003

Topics covered include: Real-Time, High-Frequency QRS Electrocardiograph; Software for Improved Extraction of Data From Tape Storage; Radio System for Locating Emergency Workers; Software for Displaying High-Frequency Test Data; Capacitor-Chain Successive-Approximation ADC; Simpler Alternative to an Optimum FQPSK-B Viterbi Receiver; Multilayer Patch Antenna Surrounded by a Metallic Wall; Software To Secure Distributed Propulsion Simulations; Explicit Pore Pressure Material Model in Carbon-Cloth Phenolic; Meshed-Pumpkin Super-Pressure Balloon Design; Corrosion Inhibitors as Penetrant Dyes for Radiography; Transparent Metal-Salt-Filled Polymeric Radiation Shields; Lightweight Energy Absorbers for Blast Containers; Brush-Wheel Samplers for Planetary Exploration; Dry Process for Making Polyimide/ Carbon-and-Boron-Fiber Tape; Relatively Inexpensive Rapid Prototyping of Small Parts; Magnetic Field Would Reduce Electron Backstreaming in Ion Thrusters; Alternative Electrochemical Systems for Ozonation of Water; Interferometer for Measuring Displacement to Within 20 pm; UV-Enhanced IR Raman System for Identifying Biohazards; Prognostics Methodology for Complex Systems; Algorithms for Haptic Rendering of 3D Objects; Modeling and Control of Aerothermoelastic Effects; Processing Digital Imagery to Enhance Perceptions of Realism; Analysis of Designs of Space Laboratories; Shields for Enhanced Protection Against High-Speed Debris; Study of Dislocation-Ordered In(x)Ga(1-x)As/GaAs Quantum Dots; and Tilt-Sensitivity Analysis for Space Telescopes.

Source record↗
DOE OSTI2021

Room-temperature large magnetoelectricity in a transition metal doped ferroelectric perovskite

There is increasing interest in novel magnetoelectric (ME) materials that exhibit robust ME coupling at room-temperature (RT) for advanced memory, energy, spintronics, and other multifunctional device applications, by making use of the ability to control polarization with a magnetic field and/or magnetization via an electric field. Obtaining ME materials with strong ME coupling, understanding the origin, and manipulating its processing along with composition to realize large ME coefficients at RT constitute an important step in multiferroic research. To address this, we have investigated the multiferroic and ME properties of Ni-doped Pb(Zr 0.20 Ti 0.80 )O 3 (PZT). We find that the ferroelectric (T C ~ 700 K) and weak ferromagnetic (~ 602 K) phase transitions of Ni-doped PZT are well above RT, leading to a strong ME coupling coefficient (α E,31 ) of 11.7 mVcm -1 Oe -1 (H ac = 1 Oe and f = 1 kHz). While X-ray diffraction suggests a single-phase material, high resolution transmission electron microscopy reveals regions with and without Ni present; thus magnetoelectric coupling between two phases is possible. First-principle calculations suggest the (Ni Pb ) × defect is likely to be responsible for the experimental observed magnetism and ME coupling in Ni-doped PZT. Furthermore, we demonstrate that Ni-doped PZT exhibits low loss tangent, low leakage current, large saturation polarization and weak ferromagnetism. Ultimately, our work demonstrates that Ni-doped PZT is a cost-effective RT multiferroic with strong ME coupling.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

New route to the fabrication of nanocrystalline diamond films

Nanocrystalline diamond (NCD) thin films offer applications in various fields, but the existing synthetic approaches are cumbersome and destructive. A major breakthrough has been achieved by our group in the direction of a non-destructive, scalable, and economic process of NCD thin-film fabrication. Here, we report a cheap precursor for the growth of nanocrystalline diamond in the form of paraffin wax. We show that NCD thin films can be fabricated on a copper support by using simple, commonplace paraffin wax under reaction conditions of Hot Filament Chemical Vapor Deposition (HFCVD). Surprisingly, even the presence of any catalyst or seeding that has been conventionally used in the state-of-the-art is not required. The structure of the obtained films was analyzed by scanning electron microscopy and transmission electron microscopy. Raman spectroscopy and electron energy-loss spectroscopy recorded at the carbon K-edge region confirm the presence of nanocrystalline diamond. The process is a significant step towards cost-effective and non-cumbersome fabrication of nanocrystalline diamond thin films for commercial production.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2003

Nonlinear Resonant Oscillations of Gas in Optimized Acoustical Resonators and the Effect of Central Blockage

Optimizing resonator shapes for maximizing the ratio of maximum to minimum gas pressure at an end of the resonator is investigated numerically. It is well known that the resonant frequencies and the nonlinear standing waveform in an acoustical resonator strongly depend on the resonator geometry. A quasi-Newton type scheme was used to find optimized axisymmetric resonator shapes achieving the maximum pressure compression ratio with an acceleration of constant amplitude. The acoustical field was solved using a one-dimensional model, and the resonance frequency shift and hysteresis effects were obtained through an automation scheme based on continuation method. Results are presented for optimizing three types of geometry: a cone, a horn-cone and a half cosine-shape. For each type, different optimized shapes were found when starting with different initial guesses. Further, the one-dimensional model was modified to study the effect of an axisymmetric central blockage on the nonlinear standing wave.

Li, Xiaofan↗
DOE OSTI2018

Effect of nitrogen passivation on interface composition and physical stress in SiO 2 /SiC(4H) structures

Here, the electron density and physical stress at the thermally oxidized SiC/SiO 2 interface, and their change with nitrogen incorporation, were observed using x-ray reflectivity, Raman scattering, and a novel stress determination technique. There is no evidence for residual carbon species at the SiO 2 /SiC. Instead, a ~1 nm thick low electron density layer is formed at this interface, consistent with interfacial suboxides (SiO x , 0.3 < x < 2), along with high interfacial stress. Nitrogen passivation, a known process to improve the interface state density and electronic properties, eliminates the low density component and simultaneously releases the interface stress. On the basis of these findings, a new chemical interaction model is proposed to explain the effect of the nitrogen, and a guideline, stress managing together with elemental control of the dielectric/SiC interface, is suggested to achieve high quality gate stack on SiC.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Annealing in tellurium-nitrogen co-doped ZnO films: The roles of intrinsic zinc defects

In this article, the authors have conducted an extensive investigation on the roles of intrinsic zinc defects by annealing of a batch of Te-N co-doped ZnO films. The formation and annihilation of Zn interstitial (Zn{sub i}) clusters have been found in samples with different annealing temperatures. Electrical and Raman measurements have shown that the Zn{sub i} clusters are a significant compensation source to holes, and the Te co-doping has a notable effect on suppressing the Zn{sub i} clusters. Meanwhile, shallow acceptors have been identified in photoluminescence spectra. The N{sub O}-Zn-Te complex, zinc vacancy (V{sub Zn})-N{sub O} complex, and V{sub Zn} clusters are thought to be the candidates as the shallow acceptors. The evolution of shallow acceptors upon annealing temperature have been also studied. The clustering of V{sub Zn} at high annealing temperature is proposed to be a possible candidate as a stable acceptor in ZnO.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Interpreting pulse-shape effects in pump-probe spectroscopies

The effect of the pulse-shape on pump-probe spectroscopies is examined for the simplest model of noninteracting fermions on an infinite-dimensional hypercubic lattice. The probe-modified density of states follows the time evolution of the pump and displays narrowing and Floquet-like sidebands at the pump maximum, whereas the photoelectron spectra are also strongly affected by the nonequilibrium occupation of the single-particle states due to the excitation from the pump. The nonequilibrium Raman cross section is derived, and the nonresonant one in both the A 1g and B 1g symmetries contains a number of peaks at the pump maximum, which can be attributed to an interference effect or Brillouin scattering off the time variations of the stress tensor. Both the "measured" occupation of single-particle states and the ratio of Stokes to anti-Stokes peaks are strongly modified by the probe-pulse width, which must be included in the interpretation of experimental results.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Anisotropic Fano resonance in the Weyl semimetal candidate LaAlSi

Topological Weyl semimetal (WSM) is a solid-state realization of chiral Weyl fermions, whose phonon behaviors provide in-depth knowledge of their electronic properties. In this work, anisotropic Fano resonance is observed in a type-II WSM candidate LaAlSi by polarized Raman spectroscopy. The asymmetric line shape occurs for the $B^2_1$ phonon mode of LaAlSi only for 488- and 532-nm laser excitations but not for 364-, 633-, and 785-nm excitations, suggesting the excitation selectivity. The asymmetry, frequency, and linewidth of the $B^2_1$ phonon mode, along with the spectral background, all show fourfold rotational symmetry as a function of the polarization angle in the polarized Raman spectra. While the shift of Raman frequency in a metal or semimetal is typically attributed to Kohn anomaly, here we show that the anisotropic frequency shift in LaAlSi cannot be explained by the effect of Kohn anomaly, but potentially by the anisotropic scattering background of Fano resonance. Origins of the excitation-energy dependence and anisotropic behavior of the Fano resonance are discussed by the first-principles calculated electronic band structure and phonon dispersion.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Plasmonic Ag nanocomposite phosphate glasses produced via γ-ray irradiation as reduction route

This paper reports on the impact of γ-ray irradiation (10, 100 kGy) on melt-quenched Ag + -doped phosphate glass and the effects of subsequent thermal processing leading to the production of plasmonic Ag nanocomposites. The γ-irradiated glasses were characterized alongside the pristine by differential scanning calorimetry (DSC), Raman spectroscopy, electron paramagnetic resonance (EPR) spectroscopy, optical absorption, and photoluminescence (PL) spectroscopy. DSC characterization showed consistent glass transition temperatures (T g ) before and after γ-irradiation whereas the crystallization temperatures tended to decrease with increasing γ-ray dose. However, a lack of alteration of the glass network structure was supported by Raman spectroscopy. Room temperature EPR spectra clearly showed the formation of phosphorus oxygen hole center (POHC) defects in the undoped host, in addition to another doublet likely associated with a P 3 defect. The presence of paramagnetic silver species encompassing Ag 2+ and 107/109 Ag 0 atoms was also indicated in the silver-activated glass together with POHC defects. Optical absorption spectra were also consistent with the presence of various radiation-induced centers. Further analyzing the glass absorption edge via Tauc plots suggested the formation of electron center (EC) defects in γ-irradiated samples wherein the silver-doped glass exhibited decreasing band gap energies with increasing γ-ray dose. The PL characterization showed the silver-related radio-PL effect was induced exhibiting broad band emission with two maxima around 500 and 625 nm stemming from various molecular Ag$^{x+}_{n}$ clusters. Emission decay analyses revealed that the longer wavelength emission exhibited slower decay. The highest radiation dose of 100 kGy however resulted in weaker emission and faster decay kinetics attributed to energy transfer between the luminescent silver species and POHC defects. Finally subjecting the γ-irradiated Ag-doped glasses to heat treatment near the T g at 490 °C led to the development of the surface plasmon resonance of Ag nanoparticles (NPs) and the vanishing of the Ag$^{x+}_{n}$ clusters luminescence. In conclusion, the presence of the matrix-related EC defects was deemed accountable for the thermally induced reduction and consequent precipitation of Ag NPs making the plasmonic glasses attractive for photonic applications such as nonlinear optics.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Raman spectroscopy and electrical properties of InAs nanowires with local oxidation enabled by substrate micro-trenches and laser irradiation

The thermal gradients along indium arsenide nanowires were engineered by a combination of fabricated micro-trenches in the supporting substrate and focused laser irradiation. This allowed local spatial control of thermally activated oxidation reactions of the nanowire on the scale of the diffraction limit. The locality of the oxidation was detected by micro-Raman mapping, and the results were found to be consistent with numerical simulations of the temperature profile. Applying the technique to nanowires in electrical devices the locally oxidized nanowires remained conducting with a lower conductance as expected for an effectively thinner conducting core.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Direct Measurement of the Selective Microwave-Induced Heating of Agglomerates of Dipolar Molecules: The Origin of and Parameters Controlling a Microwave Specific Superheating Effect

Agglomerates of polar molecules in nonpolar solvents are selectively heated by microwave radiation. The magnitude of the selective heating was directly measured by using the temperature dependence of the intensities of the Stokes and anti-Stokes bands in the Raman spectra of p-nitroanisole (pNA) and mesitylene. Under dynamic heating conditions, a large apparent temperature difference (ΔT) of over 100 °C was observed between the polar pNA solute and the nonpolar mesitylene solvent. This represents the first direct measurement of the selective microwave heating process. The magnitude of the selective microwave heating was affected by the properties of the agglomerated pNA. As the concentration of the pNA increases, the magnitude of the selective heating of the pNA was observed to decrease. This is explained by the tendency of the pNA dipoles to orient in an antiparallel fashion in the aggregates as measured by the Kirkwood g value, which decreased with increasing concentration. This effect reduces the net dipole moment of the agglomerates, which decreases the microwave absorption. After the radiation was terminated, the effective temperature of the dipolar molecules returned slowly to that of the medium. The slow heat transfer was modeled successfully by treating the solutions as a biphasic solvent/solute system. Based on modeling and the fact that the agglomerate can be heated above the boiling temperature of the solvent, an insulating layer of solvent vapor is suggested to form around the heated agglomerate, slowing convective heat transfer out of the agglomerate. Furthermore, this is an effect unique to microwave heating.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗