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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Solvatochromism of 9,10-phenanthrenequinone: An electronic and resonance Raman spectroscopic study

Solvent effects play a vital role in various chemical, physical, and biological processes. To gain a fundamental understanding of the solute-solvent interactions and their implications on the energy level re-ordering and structure, UV-VIS absorption, resonance Raman spectroscopic, and density functional theory calculation studies on 9,10-phenanthrenequinone (PQ) in different solvents of diverse solvent polarity has been carried out. The solvatochromic analysis of the absorption spectra of PQ in protic dipolar solvents suggests that the longest (1n-π{sup 1}*; S{sub 1} state) and the shorter (1π-π{sup 1}*; S{sub 2} state) wavelength band undergoes a hypsochromic and bathochromic shift due to intermolecular hydrogen bond weakening and strengthening, respectively. It also indicates that hydrogen bonding plays a major role in the differential solvation of the S{sub 2} state relative to the ground state. Raman excitation profiles of PQ (400–1800 cm{sup −1}) in various solvents followed their corresponding absorption spectra therefore the enhancements on resonant excitation are from single-state rather than mixed states. The hyperchromism of the longer wavelength band is attributed to intensity borrowing from the nearby allowed electronic transition through vibronic coupling. Computational calculation with C{sub 2ν} symmetry constraint on the S{sub 2} state resulted in an imaginary frequency along the low-frequency out-of-plane torsional modes involving the C=O site and therefore, we hypothesize that this mode could be involved in the vibronic coupling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2006

First Results from the OMI Rotational Raman Scattering Cloud Pressure Algorithm

We have developed an algorithm to retrieve scattering cloud pressures and other cloud properties with the Aura Ozone Monitoring Instrument (OMI). The scattering cloud pressure is retrieved using the effects of rotational Raman scattering (RRS). It is defined as the pressure of a Lambertian surface that would produce the observed amount of RRS consistent with the derived reflectivity of that surface. The independent pixel approximation is used in conjunction with the Lambertian-equivalent reflectivity model to provide an effective radiative cloud fraction and scattering pressure in the presence of broken or thin cloud. The derived cloud pressures will enable accurate retrievals of trace gas mixing ratios, including ozone, in the troposphere within and above clouds. We describe details of the algorithm that will be used for the first release of these products. We compare our scattering cloud pressures with cloud-top pressures and other cloud properties from the Aqua Moderate-Resolution Imaging Spectroradiometer (MODIS) instrument. OMI and MODIS are part of the so-called A-train satellites flying in formation within 30 min of each other. Differences between OMI and MODIS are expected because the MODIS observations in the thermal infrared are more sensitive to the cloud top whereas the backscattered photons in the ultraviolet can penetrate deeper into clouds. Radiative transfer calculations are consistent with the observed differences. The OMI cloud pressures are shown to be correlated with the cirrus reflectance. This relationship indicates that OMI can probe through thin or moderately thick cirrus to lower lying water clouds.

Joiner, Joanna↗
DOE OSTI2014

Theory of a random fiber laser

We develop the theory explaining the role of nonlinearity in generation of radiation in a fiber laser that is pumped by external light. The pumping energy is converted into the generating signal due to the Raman scattering supplying an effective gain for the signal. The signal is generated with frequencies near the one corresponding to the maximum value of the gain. Generation conditions and spectral properties of the generated signal are examined. We focus mainly on the case of a random laser where reflection of the signal occurs on impurities of the fiber. From the theoretical standpoint, kinetics of a wave system close to an integrable one are investigated. We demonstrate that in this case, the perturbation expansion in the kinetic equation has to use the closeness to the integrable case.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Structural instability of the CoO 4 tetrahedral chain in SrCoO 3-δ thin films

Raman scattering experiments together with detailed lattice dynamic calculations are performed to elucidate crystallographic and electronic peculiarities of SrCoO 3-δ films. We observe that the 85 cm -1 phonon mode involving the rotation of a CoO 4 tetrahedron undergoes a hardening by 21 cm -1 when the temperature is decreased. In addition, new phonon modes appear at 651.5 and 697.6 cm -1 . The latter modes are attributed to the Jahn-Teller activated modes. Upon cooling from room temperature, all phonons exhibit an exponential-like increase of intensity with a characteristic energy of about 103–107 K. We attribute this phenomenon to an instability of the CoO 4 tetrahedral chain structure, which constitutes a key ingredient to understand the electronic and structural properties of the brownmillerite SrCoO 2.5 .

36 MATERIALS SCIENCE↗
DOE OSTI2014

Combined effect of relativistic and ponderomotive filamentation on coexisting stimulated Raman and Brillouin scattering

This paper presents a model to study the interplay between the stimulated Raman (SRS) and Brillouin scattering (SBS) along with the combined effect of relativistic and ponderomotive nonlinearities, at relativistic laser power. As the intense non-uniform laser beam propagates through the plasma, both the non-linearities are operative and modify the plasma refractive index in such a manner that one enhances the self-focusing (of the pump beam) caused by the other non-linearity. The interplay between the scattering processes (SRS and SBS) affects the pump filamentation process because of pump depletion and at the same time these scattering processes get modified due to this filamentation process. An impact of the filamentation process and coexistence of the scattering processes (SRS and SBS) on the back-reflectivity of scattered beams (SRS and SBS) has been explored and found that the back-reflectivity gets modified significantly. Results are also compared with the three wave interaction case (isolated SRS or SBS case)

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Raman spectroscopy of neutron irradiated silicon carbide: Correlation among Raman spectra, swelling, and irradiation temperature

The effects of neutron irradiation on microstructural evolution and the resultant changes in physical and mechanical properties are of critical importance for the development of silicon carbide (SiC) materials for nuclear applications. This study neutron–irradiated β–SiC under a wide range of conditions at temperatures between 235 and 750°C and neutron doses of 0.01–11.8 displacements per atom, and then evaluated the effects on the SiC structure using Raman spectroscopy. The SiC optical phonon lines were shifted to lower wavenumbers by irradiation. Correlations were found among the wavenumber of the longitudinal optical phonon line, irradiation–induced swelling, and irradiation temperature. The peak shift also correlated indirectly with decreasing thermal conductivity of irradiated SiC. The irradiation–induced peak shift is explained by combinations of lattice strain, reduction of the elastic modulus, and other factors including decreasing coherent domain size. Lastly, these findings bridge irradiation–induced microstructural changes and property changes and illustrate how Raman spectroscopy is a useful tool for nondestructively assessing irradiated SiC materials for nuclear applications.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Effects of Mars Analogue Dust Deposition on DUV Raman Spectra: Implications for the Mars2020 Perserverance Rover SHERLOC Instrument

The Scanning Habitable Environments with Raman & Luminescence for Organics & Chemicals (SHERLOC) instrument suite includes a deep ultraviolet (DUV) Raman and fluorescence instrument on the robotic arm of the Mars2020 (M2020) Perseverance rover [1]. When sufficiently thick dust coatings are present, substrate surfaces are not detected, and mineralogical information not obtained. For example, the effect of palagonitic dust coatings as a function of depth to various substrates on thermal emission, VNIR, and Mössbauer spectra are reported by [2, 3]. In this study, we use the same palagonitic dust to study the effect of dust coating thickness on DUV Raman spectra.

N. C. Haney↗
DOE OSTI2020

Modeling of Atom Interferometer Accelerometer

This report presents the theoretical effort to model and simulate the atom-interferometer accelerometer operating in a highly mobile environment. Multitudes of non-idealities may occur in such a rapidly-changing environment with a large acceleration whose amplitude and direction both change quickly. We studied the undesired effect of high mobility in the atom-interferometer accelerator in a detailed model and a simulator. The undesired effects include the atom cloud's movement during Raman pulses, the Doppler effect due to the relative movement between the atom-cloud and the supporting platform, the finite atom cloud temperature, and the lateral movement of the atom cloud. We present the relevant feed-forward mitigation strategies for each identified non-ideality to neutralize the impact and obtain accurate acceleration measurements.

43 PARTICLE ACCELERATORS↗
DOE OSTI2018

Effect of the Plasma Functionalization of Carbon Nanotubes on the Formation of a Carbon Nanotube–Nickel Oxide Composite Electrode Material

The unique properties of carbon nanotubes (CNTs) make these systems promising for the production of composite electrode materials based on a combination of CNTs and transition metal oxides. The effect the parameters of the functionalization of vertically aligned CNT arrays in mixed argon–oxygen high-frequency plasma have on the structural characteristics of CNTs is studied by Raman spectroscopy. The effect the duration of treatment at higher partial argon consumption and low total gas consumption of the working mixture has on the distribution of nickel oxide over a CNT array deposited via SILAR is determined. Results from scanning electron microscopy show that lengthening the duration of functionalization from 30 to 1200 s allows the depth of coating a CNT surface with a nickel oxide layer to be increased from 300 nm to 2.5 μm. Composite structures produced in this work can be used as electrodes of supercapacitors.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Direct evidence of the effect of a moderate external magnetic field on stimulated Raman scattering in the kinetic regime

We present results from an experiment carried out at the OMEGA-EP laser facility that investigated the effect of a perpendicular magnetic field on stimulated Raman scattering (SRS) and report the first direct measurement of magnetic mitigation of SRS. A 13-T magnetic field generated by pulsed-power coils was imposed on a gas jet plasma, and a novel three-picket interaction beam was used to explore SRS reflectivity for several plasma conditions within single shots. The time-resolved backscattered light shows that SRS was mitigated by the external 13-T magnetic field in the kinetic regime (kλ D ∼ 0.3, where k is the electron plasma wave's wavenumber and λ D is electron Debye length) and at a density of n e /n cr ∼ 0.10. On the other hand, we also measured an enhancement of SRS reflectivity at lower density (n e /n cr < 0.08). We discuss experimental results in the context of magnetohydrodynamic and particle-in-cell simulations that scan SRS dynamics for a variety of plasma conditions. While the experimental evidence of SRS mitigation validates prior work on the kinetic simulation of SRS in an external magnetic field, we also find that other mechanisms such as SRS rescatter can lead to an enhancement of measured SRS reflectivity in simulations of parameters relevant to our experiment.

Gas jet↗
DOE OSTI2014

Effects of Aromaticity in Cations and Their Functional Groups on the Low-Frequency Spectra and Physical Properties of Ionic Liquids

We investigate the temperature dependence of low-frequency spectra in the frequency range of 0.3–200 cm -1 for ionic liquids (ILs) whose cations possess two systematically different cyclic groups, using femtosecond Raman-induced Kerr effect spectroscopy. The target ILs are bis(trifluoromethylsulfonyl)amide [NTf 2 ]– salts of 1-cyclohexylmethyl-1-methylpyrrolidinium [CHxmMPyrr] + , 1-cyclohexylmethyl-3-methylimidazolium [CHxmMIm] + , N-cyclohexylmethylpyridinium [CHxmPy]+, 1-benzyl-1-methylpyrrolidinium [BzMPyrr] + , 1-benzyl-3-methylimidazolium [BzMIm] + , and N-benzylpyridinium [BzPy] + cations. The aim of this study is to better understand the effects of aromaticity in the cations’ constituent groups on the temperature-dependent low-frequency spectral features of the ILs. The low-frequency spectra of these ILs are temperature dependent, but the temperature-dependent spectrum of [CHxmMPyrr][NTf 2 ] is different from that of other ILs. While [CHxmMPyrr][NTf 2 ] shows spectral changes with temperature in the low-frequency region below 50 cm -1 , the other ILs also show spectral changes in the high-frequency region above 80 cm -1 (above 50 cm -1 in the case of [BzMPyrr][NTf 2 ]). We conclude that the spectral change in the low-frequency region is due to both the cation and anion, while the change in the high-frequency region is attributed to the red shift of the aromatic ring librations. On the basis of the plots of the first moment of the spectra vs. temperature, we found that the first moment of the low-frequency spectrum of the IL whose cation does not have an aromatic ring is less temperature dependent than that of the other ILs. However, the intrinsic first moment, the first moment at 0 K, of the low-frequency spectrum is governed by the absence or presence of a charged aromatic group, while a neutral aromatic group does not have much influence on determining the intrinsic first moment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Gas Hydrate Film Growth in Microfluidic Channels for Carbon Dioxide Capture and Sequestration Applications

Gas or clathrate hydrates are a solid, crystalline compound composed of water and guest molecules that typically form at high pressure and low temperature conditions. Carbon dioxide (CO2) hydrates may be involved in several carbon dioxide capture and sequestration (CCS) applications, including CO2 pipeline transportation and CO2 offshore sequestration. Within these applications, the formation mechanism and kinetics must be well understood to manage the CCS processes, either by preventing or promoting hydrate formation. In this work, a high-pressure glass microfluidic reactor is used in tandem with visual microscopy and in-situ Raman spectroscopy to study both the morphological and kinetic behavior of gas hydrate crystals. Subcooling, pressure, and CO2 flow rate are investigated for their impact on the thickening behavior of pure CO2 hydrates, with flow rate being the only parameter to have a significant effect. Visual and Raman spectroscopy evidence show that both a dense hydrate layer and a porous hydrate layer form, and the latter may provide a path for mass transfer to continue hydrate crystallization. A first principles mass transfer model is developed to describe CO2 hydrate crystal thickening at the interface between gas and water. The impacts of gas impurities and channel wettability are also studied. This method is further applied to investigate the conversion of methane hydrate to CO2 hydrate for combined energy recovery and methane hydrate formation. The authors acknowledge the US Department of Energy Basic Energy Science award # DE-SC0022162.

Wadsworth, Lindsey [Colorado School of Mines, Gold↗
DOE OSTI2019

Quantum Isotope Effect in Silicon at Low Temperatures

High-precision studies of Raman scattering in isotopically pure {sup 28}Si, {sup 29}Si, {sup 30}Si single crystals have been performed in the temperature range from 8 to 300 K. It has been found that a difference of about (0.4 ± 0.1) cm{sup –1} observed at temperatures T ≤ 100 K between the normalized Raman frequencies of the {sup 28}Si and {sup 30}Si isotopes measured with an accuracy of 0.1 cm{sup –1} is certainly due to quantum effects damping with increasing temperature. The possibility of observing quantum isotope effects in germanium has been estimated using experimental data on isotope effects in diamond and silicon.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Polarization-separated double-imaging spectroscopy for weakly-ionized plasma diagnostics

Laser Thomson scattering, which provides thermal properties of electrons, has been extensively utilized in plasma diagnostics. However, being a non-resonant linear light scattering technique, it often encounters several challenges in weakly-ionized plasma diagnostics due to spectral overlap with different scatterings induced from other existing species, including Mie, Rayleigh, and rotational Raman scatterings. To address this challenge, we propose an imaging spectroscopy technique, polarization-separated double-imaging spectroscopy (PoDIS), which selectively separates specific scatterings based on their polarization characteristics. Using an atmospheric plasma jet as a plasma source for demonstration, we show that PoDIS can effectively separate rotational Raman and Thomson scatterings from a superimposed spectrum without prior knowledge or assumptions about the thermal properties of neutrals or electrons. This separation enables independent fitting of the rotational Raman and Thomson scattering spectra, allowing for precise determination of the thermal properties of neutral particles and electrons separately.

Bak, Junhwi [Texas A&M University, College Station↗
DOE OSTI2020

Anomalous phonon-mode dependence in polarized Raman spectroscopy of the topological Weyl semimetal TaP

Topological Weyl semimetals (WSMs) have attracted widespread interest due to the chiral Weyl fermions and surface Fermi arcs that enable unique optical and transport phenomena. In this work, we present angle-resolved Raman spectroscopy of TaP, a prototypical noncentrosymmetric WSM, for five excitation wavelengths ranging from 364 to 785 nm. The Raman-active modes, $A_1$, $B^1_1$, and $B^2_1$ modes, exhibit two main unique features beyond the conventional Raman theory. First, the relative intensities of Raman-active modes change as a function of the excitation wavelength. Second, angle-resolved polarized Raman spectra show systematic deviation from the Raman tensor theory. In particular, the $B^1_1$ mode is absent for 633-nm excitation, whereas the $B^2_1$ mode shows an unusual twofold symmetry instead of a fourfold symmetry for 488-, 532-, and 633-nm excitations. Finally, these unconventional phenomena are attributed to the interference effect in the Raman process owing to the existence of multiple carrier pockets with almost the same energy but different symmetries.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Investigation into the role of silica in lithium polysulfide adsorption for lithium sulfur battery

Highlights: • Amine functionalized silica nanoparticles (AFSN) were prepared. • Polysulfide adsorption studies were carried out with silica nanoparticles and AFSN. • Sulfur cathodes were prepared with SN and AFSN for Li–S batteries. • AFSN showed excellent polysulfide adsorption. - Abstract: A new type of sulfur electrodes with the ability for polysulfide adsorption was prepared by incorporating silica nanoparticles (SN) or amine functionalized silica nanoparticles (AFSN). AFSN was synthesized by a simple and cost-effective method. The functionalization and surface morphology of silica were confirmed with Fourier transform infrared (FTIR) spectroscopy and scanning electron microscopy (SEM), respectively. Polysulfide adsorption studies were carried out using UV–vis spectrometer, which confirmed the excellent adsorption of polysulfides by AFSN. Interaction of polysulfides with SN or AFSN was studied using FTIR and FT-Raman spectroscopy. The effective polysulfide adsorption by SN and AFSN leads to good and stable cycle performance of lithium sulfur cells. The results show that the incorporation of SN or AFSN with sulfur is a promising method to prepare cathode material for lithium sulfur batteries.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2026

The influence of iron incorporation on the microstructure and crystal chemistry of UO 2 fuel

The incorporation of dopants into UO 2 is of interest for both doped advanced fuel and nuclear forensics research. Suitable forensics dopants, or taggants, for nuclear fuels are ones that do not adversely affect the performance of the parent material while still being traceable during key stages of the fuel’s life cycle. In this paper, we present our efforts to understand the effects of doping UO 2 with Fe 2 O 3 under multiple parameters, such as Fe concentration (0–3000 wppm), sintering temperature (1673 K, 1773 K, and 1973 K), sintering time (2–12 h), and atmosphere (reducing and inert). Here, we investigated densification behavior, microstructure evolution, and lattice defects based on the geometric densities, scanning electron microscopy (SEM), X-ray diffractograms, and Raman spectra. The effect of Fe on the microstructure and crystal chemistry of UO 2 is very complex, especially at the intermediate temperature (1773 K), where we found that densification kinetics are enhanced and that lattice contraction occurs for doping concentrations greater than 1000 wppm Fe.

Crystallography↗
DOE OSTI2015

Direct transfer and Raman characterization of twisted graphene bilayer

Twisted bilayer graphene (tBLG) is constituted of a two-graphene layer with a mismatch angle θ between the two hexagonal structures. It has recently attracted much attention—thanks to its diverse electronic and optical properties. Here, we study the tBLG fabricated by the direct transfer of graphene monolayer prepared by chemical vapor deposition (CVD) onto another CVD graphene layer remaining attached to the copper foil. We show that high quality and homogeneous tBLG can be obtained by the direct transfer which prevents interface contamination. In this situation, the top graphene layer plays a supporting mechanical role to the bottom graphene layer as confirmed by optical microscopy, scanning electron microscopy, and Raman spectroscopy measurements. The effect of annealing tBLG was also investigated using micro-Raman spectroscopy. The Raman spectra exhibit a splitting of the G peak as well as a change in the 2D band shape indicating a possible decoupling of the two monolayers. We attribute these changes to the different interactions of the top and bottom layers with the substrate.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗