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At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Insights into hyperbolic phonon polaritons in h – BN using Raman scattering from encapsulated transition metal dichalcogenide layers

Alternative techniques for probing hyperbolic phonon polaritons (HPPs) in two-dimensional materials will support the development of the emerging technologies in this field. Previous reports have shown that it is possible for W Se 2 monolayers in contact with the hexagonal boron nitride (h– BN) to generate HPPs in the h– BN via Raman scattering. In this paper, we set out our results on HPP Raman scattering induced in h– BN by W Se 2 and Mo Se 2 monolayers including multiple resonances at which the Raman scattering is enhanced. Analysis of the observed Raman line shapes demonstrates that Raman scattering allows HPPs with wave vectors with magnitudes significantly in excess of 15 000 cm –1 to be probed. Finally, we present evidence that the Raman scattering can probe HPPs with frequencies less than the expected lower bound on the reststrahlen band, suggesting new HPP physics still waits to be discovered.

2-dimensional systems↗
NASA NTRS2005

Active Raman sounding of the earth's water vapor field

The typically weak cross-sections characteristic of Raman processes has historically limited their use in atmospheric remote sensing to nighttime application. However, with advances in instrumentation and techniques, it is now possible to apply Raman lidar to the monitoring of atmospheric water vapor, aerosols and clouds throughout the diurnal cycle. Upper tropospheric and lower stratospheric measurements of water vapor using Raman lidar are also possible but are limited to nighttime and require long integration times. However, boundary layer studies of water vapor variability can now be performed with high temporal and spatial resolution. This paper will review the current state-of-the-art of Raman lidar for high-resolution measurements of the atmospheric water vapor, aerosol and cloud fields. In particular, we describe the use of Raman lidar for mapping the vertical distribution and variability of atmospheric water vapor, aerosols and clouds throughout the evolution of dynamic meteorological events. The ability of Raman lidar to detect and characterize water in the region of the tropopause and the importance of high-altitude water vapor for climate-related studies and meteorological satellite performance are discussed.

Earth (Planet)↗
NASA NTRS2013

Assessing the Temperature Dependence of Narrow-Band Raman Water Vapor Lidar Measurements: A Practical Approach

Narrow-band detection of the Raman water vapor spectrum using the lidar technique introduces a concern over the temperature dependence of the Raman spectrum. Various groups have addressed this issue either by trying to minimize the temperature dependence to the point where it can be ignored or by correcting for whatever degree of temperature dependence exists. The traditional technique for performing either of these entails accurately measuring both the laser output wavelength and the water vapor spectral passband with combined uncertainty of approximately 0.01 nm. However, uncertainty in interference filter center wavelengths and laser output wavelengths can be this large or larger. These combined uncertainties translate into uncertainties in the magnitude of the temperature dependence of the Raman lidar water vapor measurement of 3% or more. We present here an alternate approach for accurately determining the temperature dependence of the Raman lidar water vapor measurement. This alternate approach entails acquiring sequential atmospheric profiles using the lidar while scanning the channel passband across portions of the Raman water vapor Q-branch. This scanning is accomplished either by tilt-tuning an interference filter or by scanning the output of a spectrometer. Through this process a peak in the transmitted intensity can be discerned in a manner that defines the spectral location of the channel passband with respect to the laser output wavelength to much higher accuracy than that achieved with standard laboratory techniques. Given the peak of the water vapor signal intensity curve, determined using the techniques described here, and an approximate knowledge of atmospheric temperature, the temperature dependence of a given Raman lidar profile can be determined with accuracy of 0.5% or better. A Mathematica notebook that demonstrates the calculations used here is available from the lead author.

Raman lidar↗
DOE OSTI2023

In-situ Synthesis of PuCl 3 and Corresponding Raman and Density Functional Theory Vibrational Modes

The experimental and calculated Raman spectrum of PuCl 3 has been reported for the first time. PuCl 3 is a primary species found in plutonium metal refinement, specifically in pyrochemical salt processes including multicycle direct oxide reduction, metal chlorination, and electrorefining. As such, Raman signatures of PuCl 3 could serve as potential forensic indicators of material process history. A novel technique for synthesizing PuCl 3 from the in situ chlorination of plutonium metal with HCl was developed to establish these signatures. Cerium metal surrogates were utilized to ensure optimization of the plutonium experiments and to minimize personnel exposure, and all experiments were carried out in a Raman reaction chamber designed for air-tight, high vacuum environments. In situ Raman spectroscopy was employed in conjunction with density functional theory (DFT) to investigate the vibrational modes of PuCl 3 . Associated mixed oxy and hydroxyl phases are also reported. The combined Raman and DFT results have eliminated inconsistencies in Raman mode assignments for the MX 3 family of metal chlorides having P6 3 /m symmetry, and IR modes derived from the DFT calculations are additionally presented. The data observed in this study are of potential interest to nuclear forensic analyses, nuclear sample aging, nuclear energy, plutonium processing, and stockpile stewardship.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Quantitative analysis of Raman spectral parameters for carbon fibers: practical considerations and connection to mechanical properties

Although the literature on the Raman spectra of carbon fibers is vast, no consistent, robust predictive relationship between mechanical properties of carbon fibers and spectral parameters exists. This shortcoming is due to the use of numerous fitting functions to evaluate Raman spectra of carbon fibers and the inconsistencies in establishing the best fitting models in a statistically robust fashion. To address this gap, we present a comprehensive work on the Raman spectra of carbon fibers that combines a vast library of experimental data with a robust numerical analysis and a statistical evaluation of a wide range of suggested fitting models. This manuscript begins with a brief review of the commonly applied fitting models. Then, the Raman spectra of 32 commercially available polyacrylonitrile-based carbon fibers collected at excitation wavelengths 532, 633, and 785 nm are presented and the best fit for all fibers is evaluated based on several statistical criteria in conjunction with numerical calculations and physical arguments. The results suggest that high-performance fibers must be fit with at least five peaks, whereas high-tensile modulus fibers are best fit with at least six distinct peaks. Finally, we employ simultaneous fitting of the Raman spectra of specific fibers and wavelengths and demonstrate that strong correlations exist between mechanical properties and the D1 peak position and shape across the range of evaluated mechanical properties. Finally, we suggest straightforward improvements in fitting analysis procedures that can be implemented to increase coherency in the understanding of the underlying carbon fiber microstructure intuited from Raman spectroscopy.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Selective photo-excitation of molecules enabled by stimulated Raman pre-excitation

Double resonance excitation, where the energies of vibrational and electronic molecular transitions are combined in a single, sequential excitation process, was introduced in the 1970s but has only been recently applied to microscopy due to the immense progress in Raman spectroscopy. The value of the technique is in combining the chemical selectivity of IR or Raman excitation with the much larger cross-sections of electronic transitions. Recently, it has been shown to be particularly suited for the detection and identification of chromophores at low concentrations and in the presence of spectral crosstalk. However, despite its low quantum yield per pulse sequence, we believe the technique has potential for selective photochemical transformations. There are some cases (e.g., the selective excitation of optogenetic switches) where the low yield may be overcome by repeated excitations to build up biochemically relevant concentrations. Here we show that double resonance excitation using general, non-resonant Raman pre-excitation is a viable candidate for selectively promoting molecules to chemically active energy levels. Further, the use of non-resonant Raman pre-excitation is less constraining than resonant Raman (used in previous double resonance microscopy works) since the choice of Raman pump-Stokes frequencies may be rather freely chosen.

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

Rovibrationally resolved Rayleigh and Raman scattering cross sections for molecular hydrogen

Accurate Rayleigh and Raman scattering cross sections, tensor components, depolarization ratios, and reversal coefficients for all rovibrational transitions within the X1Σg+ ground electronic state of H2 have been calculated. Raman spectra have been generated using these data. A method for calculating Raman scattering cross sections is formulated that is valid below the ionization threshold and in the region containing resonances, which explicitly accounts for all bound and dissociative vibrational levels of the bound intermediate electronic states and approximately accounts for the ionization continuum. A representative set of cross sections is presented for incident photon energies below 15 eV and compared with existing results in the literature where possible. Convergence of our results with an increasing number of bound intermediate electronic states is demonstrated. The accuracy of the Placzek–Teller approximation is discussed. The effect of accounting for the intermediate ionization continuum is investigated. Local thermal equilibrium cross sections are calculated for Rayleigh and Raman scattering. This work represents the most accurate and complete treatment of Raman scattering for molecular hydrogen to date. A total of 9582 Rayleigh and Raman scattering cross sections have been generated and are openly available on Zenodo under an open-source Creative Commons Attribution license at https://zenodo.org/doi/10.5281/zenodo.13441471.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Raman spectroscopy of thermally perturbed carbon fibers: Discriminating spectral responses of modulus classes and defect types

The mechanical strength properties of carbon fibers are generally thought to be correlated with the presence of underlying atomic-level defects. These defects serve to break the underlying translational symmetry of the graphitic or graphene subunits of the fiber construction, resulting in the emergence of new Raman-active spectral features. However, historical attempts to classify the precise origin of defect contributions to the Raman spectra have been challenging because of indistinct and overlapping features in the carbon fiber Raman spectra. Further, while substantial research exists on high-temperature exposure in inert atmospheres for carbon fiber composites, comparatively less addresses microscale behaviors and Raman spectral alterations to monofilament carbon fibers exposed to high-temperature atmospheric environments. Here, we report Raman spectral responses of nine commercially available high-performance, polyacrylonitrile-based carbon fibers exposed to various atmospheric heat treatments. In this work, we introduce a model-independent characterization method, the integrated absolute difference, to quantify the spectral responses to heat treatment of different fiber modulus classes. We combine this new method with a newly reported strategy to standardize spectral fitting for carbon fibers. With this approach, we show that atomic-scale defects in the underlying fiber microstructure manifest in measurably distinct manners and have distinct responses to thermal perturbation. These combined approaches may lay the foundation for disentangling contributions from specific defects in the Raman spectra of carbon fibers.

36 MATERIALS SCIENCE↗
DOE OSTI2024

High-throughput single-cell sorting by stimulated Raman-activated cell ejection

Raman-activated cell sorting isolates single cells in a nondestructive and label-free manner, but its throughput is limited by small spontaneous Raman scattering cross section. Coherent Raman scattering integrated with microfluidics enables high-throughput cell analysis, but faces challenges with small cells (<3 μm) and tissue sections. Here, we report stimulated Raman-activated cell ejection (S-RACE) that enables high-throughput single-cell sorting by integrating stimulated Raman imaging, in situ image decomposition, and laser-induced cell ejection. S-RACE allows ejection of live bacteria or fungi guided by their Raman signatures. Furthermore, S-RACE successfully sorted lipid-richRhodotorula glutiniscells from a cell mixture with a throughput of ~13 cells per second, and the sorting results were confirmed by downstream quantitative polymerase chain reaction. Beyond single cells, S-RACE shows high compatibility with tissue sections. Incorporating a closed-loop feedback control circuit further enables real-time SRS imaging-identification-ejection. In summary, S-RACE opens exciting opportunities for diverse single-cell sorting applications.

Science & Technology - Other Topics↗
DOE OSTI2023

In-situ Synthesis of PuCl 3 and Corresponding Raman and Density Functional Theory Vibrational Modes

The experimental and calculated Raman spectrum of PuCl 3 has been reported for the first time. PuCl 3 is a primary species found in plutonium metal refinement, specifically in pyrochemical salt processes including multicycle direct oxide reduction, metal chlorination, and electrorefining. As such, Raman signatures of PuCl 3 could serve as potential forensic indicators of material process history. A novel technique for synthesizing PuCl 3 from the in-situ chlorination of plutonium metal with HCl was developed to establish these signatures. Cerium metal surrogates were utilized to ensure optimization of the plutonium experiments and to minimize personnel exposure, and all experiments were carried out in a Raman reaction chamber designed for air-tight, high vacuum environments. In-situ Raman spectroscopy was employed in conjunction with Density Functional Theory (DFT) to investigate the vibrational modes of PuCl 3 . Associated mixed oxy and hydroxyl phases are also reported. The combined Raman and DFT results have eliminated inconsistencies in Raman mode assignments for the MX 3 family of metal chlorides having P6 3 /m symmetry, and IR modes derived from the DFT calculations are additionally presented. The data observed in this study is of potential interest to nuclear forensic analyses, nuclear sample aging, nuclear energy, plutonium processing, and stockpile stewardship.

36 MATERIALS SCIENCE↗
NASA NTRS1987

Raman spectra of adsorbed layers on space shuttle and AOTV thermal protection system surface

Surfaces of interest to space vehicle heat shield design were struck by a 2 W argon ion laser line while subjected to supersonic arc jet flow conditions. Emission spectra were taken at 90 deg to the angle of laser incidence on the test object. Results showed possible weak Raman shifts which could not be directly tied to any particular parameter such as surface temperature or gas composition. The investigation must be considered exploratory in terms of findings. Many undesirable effects were found and corrected as the project progressed. For instance, initial spectra settings led to ghosts which were eliminated by closing the intermediate of filter slit of the Spex from 8 to 3 mm. Further, under certain conditions, plasma lines from the laser were observed. Several materials were also investigated at room temperature for Raman shifts. Results showed Raman shifts for RCC and TEOS coated materials. The HRSI materials showed only weak Raman shifts, however, substantial efforts were made in studying these materials. Baseline materials showed the technique to be sound. The original goal was to find a Raman shift for the High-temperature Reusable Surface Insulation (HRSI) Reaction Cured borosilicate Glass (RCG) coated material and tie the amplitude of this peak to Arc jet conditions. Weak Raman shifts may be present, however, time limitations prevented confirmation.

Willey, Ronald J.↗
NASA NTRS1990

Raman spectroscopic studies of carbon in extra-terrestrial materials

The measurements obtained here indicate ways in which micro-Raman spectroscopy can be used to elucidate structural characteristics and distribution of carbon in meteorites and interplanetary dust particles (IDPs). Existing information about structurally significant aspects of Raman measurements of graphite is combined with structurally relevant findings from the present micro-Raman studies of carbons prepared by carbonization of polyvinylidine chloride (PVDC) at various temperatures and natural material, as well as several acid residues from the Allende and Murchison meteorites in order to establish new spectra-structure relationships. Structural features of many of the materials in this study have been measured by x ray analysis and electron microscopy: thus, their structural differences can be directly correlated with differences in the Raman spectra. The spectral parameters consequently affirmed as indicators of structure are used as a measure of structure in materials that have unknown carbon structure, especially IDPs. The unique applicability of micro-Raman spectroscopy is realized not only in the ability to conveniently measure spectra of micron-size IDPs, but also micro-sized parts of an inhomogeneous material. Microcrystalline graphite is known to give Raman spectra that differ dependent on crystallite size (see e.g., Lespade, et. al., 1984, or Nemanich and Solin, 1979). The spectral changes that accompany decreasing particle size include increase in the ratio (R) of the intensity of the band near 1350 cm(-1) (D band) to that of the band near 1600 cm(-1) (G band) increase in the half width of the D band (wD) increase in the frequency maximum of the G band and increase in the half-width (wG) of the 2nd order band near 2700 cm(-1) (G) band.

Macklin, John↗
NASA NTRS1992

Raman Lidar Measurements of Pinatubo Aerosols over Southeastern Kansas During November-december 1991

The eruptions of the Philippine volcano Pinatubo during June 1991 produced large amounts of stratospheric aerosols that could significantly affect earth's climate as well as trigger stratospheric ozone depletion through heterogeneous chemical reactions. Information regarding the physical and optical properties of these aerosols is required to quantify those effects. By measuring both the elastically backscattered signal and the inelastic signal produced by Raman scattering from nitrogen molecules, Raman lidar can provide some of this information. In this presentation we discuss Raman lidar measurements of the scattering ratio, backscattering, extinction, extinction/backscattering ratio, and optical thickness of the Pinatubo aerosols over southeastern Kansas made on 10 nights during November and December, 1991. The Raman lidar developed at GSFC is a trailer-based system which uses an XeF excimer laser to transmit light at 351 nm. The light backscattered by molecules and aerosols at this wavelength is detected as well as Raman scattered light from water vapor, nitrogen, and oxygen molecules. Since background skylights interfere with the detection of the Raman signals the data discussed in this paper were acquired only at night.

Ferrare, R. A.↗
NASA NTRS1997

Modulated FT- Raman Fiber-Optic Spectroscopy: A technique for Remotely Monitoring High-Temperature Reactions in Real-Time

A modification to a commercial FT-Raman spectrometer is presented for the elimination of thermal backgrounds in FT-Raman spectra. The modification involves the use of a mechanical chopper to modulate the CW laser, remote collection of the signal via fiber optics, and connection of a dual-phase digital signal processor lock-in amplifier between the detector and the spectrometer's collection electronics to demodulate and filter the optical signals. The resulting modulated FT-Raman fiber-optic spectrometer is capable of completely eliminating thermal backgrounds at temperatures exceeding 370 C. In addition, the signal/noise of generated Raman spectra is greater than for spectra collected with the conventional FT-Raman under identical conditions and incident laser power. This is true for both room-temperature and hot samples. The method allows collection of data using preexisting spectrometer software. The total cost of the modification (excluding fiber optics) is approximately $3000 and requires less than 2 h to implement. This is the first report of Fr-Raman spectra collected at temperatures in excess of 300 C in the absence of thermal backgrounds.

Cooper, John B.↗
NASA NTRS2002

Spontaneous Raman Scattering Diagnostics for High-pressure Gaseous Flames

A high-pressure (up to 60 atm) gaseous burner facility with optical access that provides steady, reproducible flames with high precision, and the ability to use multiple fuel/oxidizer combinations has been developed. In addition, a high-performance spontaneous Raman scattering system for use in the above facility has also been developed. Together, the two systems will be used to acquire and establish a comprehensive Raman scattering spectral database for use as a quantitative high-pressure calibration of single-shot Raman scattering measurements in high-pressure combustion systems. Using these facilities, the Raman spectra of H2-Air flames were successfully measured at pressures up to 20 atm. The spectra demonstrated clear rotational and ro-vibrational Raman features of H2, N2, and H2O. theoretical Raman spectra of pure rotational H2, vibrational H2, and vibrational N2 were calculated using a classical harmonic-oscillator model with pressure broadening effects and fitted to the data. At a gas temperature of 1889 K for a phi = 1.34 H2-Air flame, the model and the data showed good agreement, confirming a ro-vibrational equilibrium temperature.

Kojima, Jun↗
NASA NTRS2003

Raman Spectroscopic Characterization of the Feldspars: Implications for Surface Mineral Characterization in Planetary Exploration

The availability in the last decade of improved Raman instrumentation using small, stable, intense lasers, sensitive CCD array detectors, and advanced fast grating systems enabled us to develop the Mars Microbeam Raman Spectrometer (MMRS), a field-portable Raman spectrometer with precision and accuracy capable of identifying minerals and their different compositions. For example, we can determine Mg cation ratios in pyroxenes and olivines to +/-0.1 on the basis of Raman peak positions. Feldspar is another major mineral formed in igneous systems whose characterization is important for determining rock petrogenesis and alteration. From their Raman spectral pattern, feldspars can be readily distinguished from ortho- and chain-silicates and from other tecto-silicates such as quartz and zeolites. We show here how well Raman spectral analysis can distinguish among members within the feldspar group.

Freeman, J. J.↗
NASA NTRS2002

Water Measurements using a Raman Lidar

The research record for the usefulness of Raman Lidar in addressing a broad range of important atmospheric research topics is well established. Raman lidar technology has been used to measure tropospheric aerosols, stratospheric aerosols and cirrus clouds. Arguably the most important measurements offered by Raman lidar for both dynamic and radiative studies, however, is that of water vapor. We will describe large improvements in Raman lidar measurements of water vapor made possible through recent technology upgrades. Furthermore, we will present the use of Raman lidar to study liquid water in the atmosphere and describe current research into the use of Raman lidar measurements to estimate ice water content of cirrus clouds.

Whiteman, D. N.↗
NASA NTRS2005

Raman Lidar Measurements during the International HZO Project: Instrumentation and Analysis Techniques, Popular Summary - 1

The amount of water vapor in the atmosphere helps to determine the likelihood that severe storms may develop. The concentration of water vapor, though, is highly variable in space and time. And yet small changes in water vapor concentration over a short period of time or over a short spatial distance can determine whether a storm may or may not develop. Therefore, in order to improve the ability to forecast severe weather such as thunderstorms it is important to measure water vapor in the atmosphere with high spatial and temporal resolution. One of the most attractive research tools for measuring water vapor in the atmosphere with high spatial and temporal resolution is a Raman lidar. A Raman lidar consists of a laser transmitter, a telescope receiver and optics and electronics for processing opticand electronic signals. A laser pulse is emitted into the atmosphere and it interacts with molecules in the atmosphere causing them to become excited and to emit, through the Raman process, photons of different wavelength than emitted by the laser. The molecule that emitted these emitted. This is the way that a Raman lidar identifies water vapor molecules in the atmosphere. can be identified based on the wavelength of the photons One of the great challenges in Raman lidar measurements has been to make useful daytime measurements of the water vapor profile under bright daytime conditions. In this first of two papers, we describe the instrumentation and analysis of the first documented Raman lidar that is able to measure water vapor in the daytime with sufficient quality to permit the study of developing storm systems.

Whiteman, D. N.↗