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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
NASA NTRS2007

Ring-Down Spectroscopy for Characterizing a CW Raman Laser

.A relatively simple technique for characterizing an all-resonant intracavity continuous-wave (CW) solid-state Raman laser involves the use of ring-down spectroscopy. As used here, characterizing signifies determining such parameters as threshold pump power, Raman gain, conversion efficiency, and quality factors (Q values) of the pump and Stokes cavity modes. Heretofore, in order to characterize resonant-cavity-based Raman lasers, it has usually been necessary to manipulate the frequencies and power levels of pump lasers and, in each case, to take several sets of measurements. In cases involving ultra-high-Q resonators, it also has been desirable to lock pump lasers to resonator modes to ensure the quality of measurement data. Simpler techniques could be useful. In the present ring-down spectroscopic technique, one infers the parameters of interest from the decay of the laser out of its steady state. This technique does not require changing the power or frequency of the pump laser or locking the pump laser to the resonator mode. The technique is based on a theoretical analysis of what happens when the pump laser is abruptly switched off after the Raman generation reaches the steady state. The analysis starts with differential equations for the evolution of the amplitudes of the pump and Stokes electric fields, leading to solutions for the power levels of the pump and Stokes fields as functions of time and of the aforementioned parameters. Among other things, these solutions show how the ring-down time depends, to some extent, on the electromagnetic energy accumulated in the cavity. The solutions are readily converted to relatively simple equations for the parameters as functions of quantities that can be determined from measurements of the time-dependent power levels. For example, the steady-state intracavity conversion efficiency is given by G1/G2 1 and the threshold power is given by Pin(G2/G1)2, where Pin is the steady-state input pump power immediately prior to abrupt switch-off, G1 is the initial rate of decay of the pump field, and G2 is the final rate of decay of the pump field. Hence, it is possible to determine all the parameters from a single ring-down scan, provided that the measurements taken in that scan are sufficiently accurate and complete.

Matsko, Andrey↗
DOE OSTI2023

Synchrotron based transient x-ray absorption spectroscopy for emerging solid-state energy materials

The rational design of cutting-edge materials for an efficient solar energy conversion process is a challenging task, which demands a fundamental understanding of the mechanisms operative during the photoinduced physical and chemical reactions. In response to these issues, progress in the field has steered attention toward the use of time-resolved spectroscopic techniques to resolve the multiple intermediate species involved in these photoinduced reactions. Thanks to the advent of pump–probe technique, which leads to the development of various time-resolved spectroscopic methods, significant progress has been made in understanding the photophysical and photochemical properties (e.g., excited state dynamics, charge transfer mechanism, charge separation dynamics, etc.) of energy materials. Synchrotron-based x-ray transient absorption (XTA) spectroscopy is one of the most important time-resolved techniques to unravel the direct correlation of the material structure with their photophysical properties owing to its unique capability in directly observing electronic and structural evolution simultaneously. As a result, the aim of this work is to provide a systematic overview of the recent progress in using XTA for capturing the structural dynamics associated with excited state and charge separation dynamics in emerging solid-state energy materials.

14 SOLAR ENERGY↗
DOE OSTI2022

On the Nature of Surface Defects Found in 2/0 N-Doped 9-Cell Cavities

In this contribution, we present a systematic study on the microstructure of 1.3 GHz 9-cell TESLA type SRF cavity, processed with 2/0 Nitrogen-doping surface treatment, to explain the premature quench phenomena commonly observed in N-doping treated cavities. The microstructure characterization was carried out using Secondary electron images, advanced metallurgical techniques such as EBSD in parallel with chemical information obtained from spectroscopic techniques. The most remarkable difference is observed in the ends-cavities (1 and 9), which showed roughening of the surface, revealing a series of morphologies associated with Nb cubic phase. The cell-to-cell analysis also showed standard features such as pits with different geometry and distribution, located in grains and grain boundaries. The defects found in this system suggest that the standard electropolishing chemical etching was insufficient to eliminate history defects produced during the manufacture of the cavity, without discarding the role of the impurities, N and O, that could have induced the growth of these morphologies.

43 PARTICLE ACCELERATORS↗
NASA NTRS1990

Optical and electrical properties of thin superconducting films

Infrared spectroscopic techniques can provide a vital probe of the superconducting energy gap which is one of the most fundamental physical properties of superconductors. Currently, the central questions regarding the optical properties of superconductors are how the energy gap can be measured by infrared techniques and at which frequency the gap exists. An effective infrared spectroscopic method to investigate the superconducting energy gap, Eg, was developed by using the Bomem DA 3.01 Fourier Transformation Spectrophotometer. The reflectivity of a superconducting thin film of YBaCuO deposited on SrTiO3 was measured. A shoulder was observed in the superconducting state reflectance R(sub S) at 480/cm. This gives a value of Eg/kT(sub c) = 7.83, where k is the Boltzmann constant and T(sub c) is the superconducting transition temperature, from which, it is suggested that YBaCuO is a very strong coupling superconductor.

Covington, Billy C.↗
NASA NTRS1985

Chemistry of MOS-LSI radiation hardening

The objective of this task was to obtain chemical information on MOS test samples. Toward this end, high resolution X-ray photoemission spectroscopy (XPS) has been the primary techniques used to characterize the chemistry and structure of the SiO2/Si interface for a variety of MOS structures with differing degrees of susceptibility to damage by ionizing radiation. The major accomplishments of this program are: (1) the identification of a structurally distinct region of SiO2 in the near-interfacial region of thermal SiO2 on Si; (2) the identification in the near-interfacial region of SiO2 structural differences between radiation hard and soft gate oxides; (3) the direct observation of radiation-induced damage sites in thermal SiO2 with XPS using in situ electron stress; (4) the correlation of suboxide state distributions at the SiO2/Si interface with processing parameters and radiation susceptibility; (5) the development of a chemical mechanism for radiation-induced interface state generation in SiO2/Si structures; and (6) the development benign chemical profiling techniques which permit the investigation of oxide/semiconductor structures using surface sensitive electron spectroscopic techniques.

Grunthaner, P.↗
NASA NTRS2019

Exoplanet Imaging with CHARIS and Future Synergies with WFIRST CGI

The principal science goal of directly imaging exoplanets is spectroscopy. At Subaru, the SCExAO instrument uses the CHARIS integral field spectrograph (IFS) to take spectra of young, self-luminous companions and disks in the near-infrared. CHARIS provides both R70 and R20 spectral resolutions across the J, H, and K bands. Of the two, R20 is the primary observing mode, which provides both excellent spectral coverage of the companions and a larger bandpass for advanced speckle subtraction techniques. Looking to the future, the WFIRST CoronaGraph Instrument (CGI) is a technology demonstration for future missions whose spectroscopic techniques are rooted in what has been demonstrated at ground observatories. CGI will reach very high contrast in broadband light with advanced wavefront control and coronagraphy techniques, paving the way for characterizing Earth-like planets. The spectral resolution of CGI spectroscopic modes is R50 with 15% bandpasses from 600 to 970nm. The calibration, speckle subtraction, and spectral extraction methods for CGI spectroscopy has a strong heritage from techniques developed for SCExAO+CHARIS. We discuss such synergies between CHARIS and CGI characterization capabilities from both a science and engineering perspective, including the new Wollaston polarization upgrade to CHARIS.

Groff, Tyler D.↗
DOE OSTI2025

Time-dependent phenomena in correlated materials

Understanding time-dependent processes and light-matter interaction in strongly correlated materials, and the interplay between electronic, orbital, vibrational, and spin degrees of freedom, is a cornerstone of condensed matter. These mechanisms can be proven by measuring the response of the systems to time-dependent perturbations. The corresponding time scales are dictated by the way light couples to the different excitations, and how these excitations exchange energy and momentum. Our research advances our understanding of these processes, and the interpretation of different equilibrium and time-resolved spectroscopies. Our project encompasses two main themes: (i) developing and refining computational techniques to study non-equilibrium spectroscopies including non-perturbative effects and (ii) applications to non-equilibrium phenomena. We have developed a new computational approach that works directly in the time domain: by including all the degrees of freedom involved in the scattering process (e.g. electrons, photons, neutrons), we solve the time dependent problem: a faithful numerical simulation of the experiment. By measuring the energy and momentum of the outgoing particles, we can extract information about the energy and momentum absorbed by the system. Prior to our work, people attempting to model and calculate non-equilibrium spectral functions relied on a description of the scattering cross section based on a formulation in the frequency domain, a treatment that is extremely cumbersome and complex. Our technique works in and out of equilibrium and can reproduce spectra by several spectroscopic techniques, such as time-resolved photoemission, neutron scattering, Raman, X-ray spectroscopies (RIXS, Auger, XAS, XMCD), and, by not relying on analytical approximations, yields results that reveal novel overlooked transient mechanisms. These tools provide sorely needed intuition for understanding the phenomenology of strongly correlated materials and will help experimentalists in identifying signatures of relevant excitations in pump-probe experiments, such as those conducted in DOE supported facilities.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1992

Shedding new light on gas dynamics

Modern laser-spectroscopic techniques usually incorporate one or more laser beams and depend on their radiative interaction with some spectroscopic feature of the gas. Attention is given to laser absorption, laser-induced fluorescence, Rayleigh scattering, and Raman scattering. Consideration is given to UV Rayleigh scattering applied to aerodynamic flows to obtain images of a supersonic boundary layer that show instantaneous turbulent structures at a level of detail not achieved by any other practical method.

Mckenzie, Robert L.↗
NASA NTRS2013

Protonated Nitrous Oxide, NNOH(+): Fundamental Vibrational Frequencies and Spectroscopic Constants from Quartic Force Fields

The interstellar presence of protonated nitrous oxide has been suspected for some time. Using established high-accuracy quantum chemical techniques, spectroscopic constants and fundamental vibrational frequencies are provided for the lower energy O-protonated isomer of this cation and its deuterated isotopologue. The vibrationally-averaged B0 and C0 rotational constants are within 6 MHz of their experimental values and the D(subJ) quartic distortion constants agree with experiment to within 3%. The known gas phase O−H stretch of NNOH(+) is 3330.91 cm(exp−1), and the vibrational configuration interaction computed result is 3330.9 cm(exp−1). Other spectroscopic constants are also provided, as are the rest of the fundamental vibrational frequencies for NNOH(+) and its deuterated isotopologue. This high-accuracy data should serve to better inform future observational or experimental studies of the rovibrational bands of protonated nitrous oxide in the ISM and the laboratory.

fundamental vibrational frequencies↗
DOE OSTI2023

Electronic and Vibrational Coherence in Heterogeneous Electron Transfer (Final Report)

Interfacial electron transfer reactions constitute key physical phenomena central to a variety of energy related transport and conversion processes such as catalysis, photocatalysis, photovoltaics, energy storage, molecular electronics, etc. Heterogeneous material systems like organic/inorganic interfaces are of particular interest because they provide great potential to tailor properties according to application specific requirements. While electron transfer dynamics has been studied intensively in heterogeneous systems many questions remain unanswered. The significance of electronic-vibrational coupling and coherence is one aspect that has yet to be fully explored. The objective of this project is to develop and implement new ultrafast spectroscopic techniques based on pump four-wave mixing spectroscopy (pump-FWM) for studying the dynamics of vibrational coupling and coherence in heterogeneous electron transfer (HET) at molecule/semiconductor interfaces. The implementation of the spectroscopic setup allows to explore different four-wave mixing techniques and thus to identify a suitable approach to study the significance of vibrational as well as electronic coherence in HET.

14 SOLAR ENERGY↗
NASA NTRS1975

Interpretation of the X-ray spectra of solar active regions

This paper presents a review of recent analytical studies of the coronal X-ray spectrum below 25 A. The techniques used to compute the theoretical coronal spectrum, and the currently available atomic rate constant data are reviewed first. Spectroscopic techniques which have been proposed for the determination of coronal temperature and density structure, and the results derived from their application to coronal spectra are also reviewed. A number of coronal models based on X-ray observations have been developed recently, and the coronal temperature structure and composition predicted by these models is discussed, and compared with models of the corona and transition region derived from studies of the solar EUV spectrum.

Walker, A. B. C., Jr.↗
NASA NTRS1991

Fourier transform infrared and Raman spectroscopic characterization of homogeneous solution concentration gradients near a container wall at different temperatures

Fourier transform infrared (FTIR) and Raman spectroscopic techniques were used to study the solution concentration gradient in succino nitrile-rich and water-rich homogeneous solutions. The spectroscopic data shows significant concentration dependency. Although FTIR-attenuated total reflectance could not yield surface spectra since the evanescent infrared wave penetrated deep into the bulk solution, it showed that water-rich clusters were decreased at higher temperatures. This result is consistent with the calorimetric results reported earlier.

Loo, B. H.↗
NASA NTRS2000

Preparation of Ion Exchange Films for Solid-Phase Spectrophotometry and Solid-Phase Fluorometry

Atomic spectroscopy has dominated the field of trace inorganic analysis because of its high sensitivity and selectivity. The advantages gained by the atomic spectroscopies come with the disadvantage of expensive and often complicated instrumentation. Solid-phase spectroscopy, in which the analyte is preconcentrated on a solid medium followed by conventional spectrophotometry or fluorometry, requires less expensive instrumentation and has considerable sensitivity and selectivity. The sensitivity gains come from preconcentration and the use of chromophore (or fluorophore) developers and the selectivity is achieved by use of ion exchange conditions that favor the analyte in combination with speciative chromophores. Little work has been done to optimize the ion exchange medium (IEM) associated with these techniques. In this report we present a method for making ion exchange polymer films, which considerably simplify the solid-phase spectroscopic techniques. The polymer consists of formaldehyde-crosslinked polyvinyl alcohol with polyacrylic acid entrapped therein. The films are a carboxylate weak cation exchanger in the calcium form. They are mechanically sturdy and optically transparent in the ultraviolet and visible portion of the spectrum, which makes them suitable for spectrophotometry and fluorometry.

Hill, Carol M.↗
NASA NTRS2007

Differential Radiometers Using Fabry-Perot Interferometric Technique for Remote Sensing Determination of Various Atmospheric Trace Gases

New type of remote sensing instrument based upon the Fabry-Perot inte rferometric technique has been developed at NASA's Goddard Space Flight Center. Fabry-Perot interferometry (FPI) is a well known, powerful spectroscopic technique and one of its many applications is to be use d to measure greenhouse gases and also some harmful species in the at mosphere. With this technique, absorption of particular species is me asured and related to its concentration. A solid Fabry-Perot etalon is used as a frequency filter to restrict the measurement to particular absorption bands of the gas of interest. With adjusting the thicknes s of the etalon that separation (in frequency) of the transmitted fri nges can be made equal to the almost constant separation of the gas a bsorption lines. By adjusting the temperature of the etalon, which changes the index of refi-action of its material, the transmission fring es can be brought into nearly exact correspondence with absorption li nes of the particular species. With this alignment between absorption lines and fringes, changes in the amount of a species in the atmosph ere strongly affect the amount of light transmitted by the etalon and can be related to gas concentration. The instrument that we have dev eloped detects the absorption of various atmospheric trace gases in d irect or reflected sunlight. Our instrument employing Fabry-Perot interferometer makes use of two features to achieve high sensitivity. The first is high spectral resolution enabling one to match the width of an atmospheric absorption feature by the instrumental band pass. The second is high optical throughput enabled by using multiple spectral lines simultaneously. For any species that one wishes to measure, thi s first feature is available while the use of multiple spectral features can be employed only for species with suitable spectra and freedom from interfering species in the same wavelength region. We have deve loped an instrument for use as ground based, airborne and satellite s ensor for gases such as carbon dioxide (1570 nm), oxygen (762 nm and 768 nm lines sensitive to changes in oxygen pressure and oxygen temper ature) and water vapor (940 nm). Our current goal is to develop an ul tra precise, inexpensive, ground based device suitable for wide deplo yment as a validation instrument for the Orbiting Carbon Observatory (OCO) satellite. We show sensitivity measurements for CO2, 02, and H2 O, compare our measurements to those obtained using other types of sensors and discuss some of the peculiarities that must be addressed in order to provide the very high quality column detection required for solving problems about global distribution of greenhouse gases and cl imatological models. In another area of research we are interested in developing a small-size channel for CO2 capable of doing simultaneous measurements with the AERONET (Aerosol Robotic Network) at NASA, God dard to study the hypothesis that atmospheric aerosols affect the reg ional terrestrial carbon cycle. We present recent data from our groun d based measurements of O2, CO2, H2O and (13)CO2 and discuss extensio n of the technique to new species and applications.

Georgieva, E. M.↗
NASA NTRS1992

Materials surface contamination analysis

The original research objective was to demonstrate the ability of optical fiber spectrometry to determine contamination levels on solid rocket motor cases in order to identify surface conditions which may result in poor bonds during production. The capability of using the spectral features to identify contaminants with other sensors which might only indicate a potential contamination level provides a real enhancement to current inspection systems such as Optical Stimulated Electron Emission (OSEE). The optical fiber probe can easily fit into the same scanning fixtures as the OSEE. The initial data obtained using the Guided Wave Model 260 spectrophotometer was primarily focused on determining spectra of potential contaminants such as HD2 grease, silicones, etc. However, once we began taking data and applying multivariate analysis techniques, using a program that can handle very large data sets, i.e., Unscrambler 2, it became apparent that the techniques also might provide a nice scientific tool for determining oxidation and chemisorption rates under controlled conditions. As the ultimate power of the technique became recognized, considering that the chemical system which was most frequently studied in this work is water + D6AC steel, we became very interested in trying the spectroscopic techniques to solve a broad range of problems. The complexity of the observed spectra for the D6AC + water system is due to overlaps between the water peaks, the resulting chemisorbed species, and products of reaction which also contain OH stretching bands. Unscrambling these spectral features, without knowledge of the specific species involved, has proven to be a formidable task.

Workman, Gary L.↗
DOE OSTI2025

Alkali Cation Inhibition of Imidazolium-Mediated Electrochemical CO 2 Reduction on Silver

Imidazolium-based ionic liquids have led to enhanced CO 2 electroreduction activity due to cation effects at the cathode surface, stabilizing the reaction intermediates and decreasing the activation energy. In aqueous media, alkali cations are also known to improve CO 2 reduction activity on metals such as Ag, with the enhancement attributed to electrical double layer effects and trending with the size of the alkali cation. However, the effect of a mixed catholyte solution of alkali cations in the presence of an imidazolium-based ionic liquid has not been well-explored. Herein, 1-ethyl-3-methylimidazolium tetrafluoroborate, [EMIM][BF 4 ], in water was investigated with alkali salts to unravel the interaction effects for CO 2 electroreduction on Ag. Although both [EMIM] + and alkali cations have individually improved CO 2 to CO conversion on Ag in water, electrochemical results showed that alkali cations hindered imidazolium-mediated CO 2 electroreduction in most conditions. Li + , in particular, was sharply inhibitory compared to other alkali cations and strongly redirected the selectivity to hydrogen evolution. The nature of the alkali cation inhibition was investigated with spectroscopic techniques, including in situ surface-enhanced Raman spectroscopy (SERS) and dynamic electrochemical impedance spectroscopy (DEIS). Along with computational insights from density functional theory (DFT), the electrochemical and spectroscopic data suggest that alkali cations inhibit [EMIM]-mediated CO 2 reduction by competing for surface adsorption sites, preventing the potential-dependent structural reorientation of imidazolium, and promoting hydrogen evolution by bringing solvated water to the cathode surface.

cations↗
DOE OSTI2023

Theory and Simulation of Ultrafast Multidimensional Nonlinear X-ray Spectroscopy of Molecules (Final Report)

Emerging X-ray free electron laser (XFEL) beam sources offer new types of probes of matter with unprecedented spatial and temporal resolutions. These experimental advances must be met by robust theoretical and computational tools that provide predictive modeling capacity of the underlining electronic and structural dynamics. The latter will be essential for the design of sophisticated multi-pulse experiments and for their interpretation. The proposed research effort will focus on developing cutting- edge simulation tools for nonlinear multidimensional X-ray/optical spectroscopies and aims to address key questions in Priority Research Opportunities 1 (Probing and controlling electron motion within a molecule) and 3 (Capturing rare events and intermediate states in the transformation of matter) as mentioned in the BES Roundtable Report “Opportunities for Basic Research at the Frontiers of XFEL Ultrafast Science”. XFEL multidimensional nonlinear techniques, which combine sequences of X-ray and possibly optical pulses, provide a unique experimental toolbox for probing the dynamics of core and valence electronic excitations, as well as material structure. Predictive modeling of these dynamical processes requires the combination of analytical theory for nonlinear interactions of light and matter, robust quantum-chemical methodologies for the accurate description of electronic structure of various materials, and multiscale ab initio electron and nuclear dynamics techniques operating beyond Born-Oppenheimer approximation. These challenges will be addressed with three research thrusts (i) Develop and implement theoretical apparatus for modeling a broad range of multidimensional spectroscopic techniques enabled by present and upcoming XFEL facilities. This thrust also includes the incorporation of a computational module in the DOE supported open-source NWChem computational chemistry package as well as the development of other open-source codes ready for dissemination across a broad user base; (ii) Propose and design new multi-pulse experiments that make use of the capabilities of the incoming LCLS-II facility; (iii) Perform selected applications to specific molecular systems that can be carried out at LCLS-II and demonstrate how these X-ray sources may be used to study nonadiabatic dynamics through conical interactions, electronic correlations in multi-core excitons, and charge transfer/energy transfer processes. The proposed research will be carried out by a multi-disciplinary four-institution research team which combines academia and national laboratories and spans the broad and necessary expertise in theoretical spectroscopy, nonlinear optics, quantum chemistry, molecular non-adiabatic dynamics and code development. The work will be performed in a highly interactive team environment with junior researchers shared between institutions thus cementing cross- disciplinary interactions. The developed simulation tools will be immediately deployed for XFEL facility users, both experimentalists and theorists, via freely distributed codes and databases. Altogether, this project will facilitate establishing XFEL-based multidimensional spectroscopies as a novel diagnostic tool for monitoring electronic and structural dynamics in molecular materials.

74 ATOMIC AND MOLECULAR PHYSICS↗