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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Explicit environmental and vibronic effects in simulations of linear and nonlinear optical spectroscopy

Accurately simulating the linear and nonlinear electronic spectra of condensed phase systems and accounting for all physical phenomena contributing to spectral line shapes presents a significant challenge. Vibronic transitions can be captured through a harmonic model generated from the normal modes of a chromophore, but it is challenging to also include the effects of specific chromophore–environment interactions within such a model. We work to overcome this limitation by combining approaches to account for both explicit environment interactions and vibronic couplings for simulating both linear and nonlinear optical spectra. We present and show results for three approaches of varying computational cost for combining ensemble sampling of chromophore–environment configurations with Franck–Condon line shapes for simulating linear spectra. We present two analogous approaches for nonlinear spectra. Simulated absorption spectra and two-dimensional electronic spectra (2DES) are presented for the Nile red chromophore in different solvent environments. Furthermore, employing an average Franck–Condon or 2DES line shape appears to be a promising method for simulating linear and nonlinear spectroscopy for a chromophore in the condensed phase.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1972

Laser-induced line-narrowing effects in coupled Doppler-broadened transitions. II - Standing-wave features.

Previous theoretical results on the influence of a laser on the line shape of a coupled transition (laser-induced line narrowing) have been restricted to the case where the laser is detuned from the center of its atomic gain profile or is in the form of a traveling wave. The present paper extends these results to the case where the laser is an intense standing-wave field tunable to the center of its atomic gain profile (conditions for Lamb dip). A theoretical solution of the problem is developed, and a detailed discussion of line shapes and physical processes involved is included.

Feldman, B. J.↗
DOE OSTI2020

Diagnosing Field Strengths and Plasma Conditions in Magnetically Insulated Transmission Lines Using Active Dopant Spectroscopy

Experimental validation data is needed to inform simulations of large pulsed power devices which are in development to understand and improve existing accelerators and inform future pulsed power capabilities. Using current spectroscopic techniques on the Z-machine, we have been unable to reliably diagnose plasma conditions and electric and magnetic fields within power flow regions. Laser ablation of a material produces a low density plasma, resulting in narrow spectroscopic line widths. By introducing a laser ablated plasma to the anode cathode gap of the Mykonos accelerator, we can monitor how the line shapes change due the current pulse by comparing these line shapes to spectral measurements taken without power flow. In this report we show several examples of measurements conducted on Mykonos on various dopant materials. We also show a negligible effect on power flow due to the presence of the ablation plasma for a range of parameters.

43 PARTICLE ACCELERATORS↗
NASA NTRS1987

Single-tone and two-tone AM-FM spectral calculations for tunable diode laser absorption spectroscopy

A generalized theory for optical heterodyne spectroscopy with phase modulated laser radiation is used which allows the calculation of signal line shapes for frequency modulation spectroscopy of Lorentzian gas absorption lines. In particular, synthetic spectral line shapes for both single-tone and two-tone modulation of lead-salt diode lasers are presented in which the contributions from both amplitude and frequency modulations are included.

Chou, Nee-Yin↗
NASA NTRS1981

Stratospheric measurements of continuous absorption near 2400 per cm

Measurements of continuous absorption near 2400 per cm by N2 and CO2 over long path lengths in the lower stratosphere are presented. The continua were measured in a stratospheric solar spectrum obtained during sunset with a balloon-borne Michelson interferometer in the 2380-2500 per cm region, and transmittances were calculated by ratioing the amplitudes to those of a high-sun spectrum in order to eliminate the wavelength dependence of the measured flux. Comparison of the measured transmittances with those calculated for a multilayered atmospheric model using laboratory absorption measurements results in a fair agreement, and reveals the primary component of the absorption throughout most of the range to be N2, with the CO2 contribution equal to that of N2 only at the CO2 band head. In this region, the shape of the continuum is very sensitive to the sub-Lorentzian line shape assumed in the calculations, and so, if the shape of the N2 continuum at low temperatures can be determined through laboratory measurements, may be used to infer air-broadened far-wing CO2 line shape.

Rinsland, C. P.↗
NASA NTRS2002

Effective Frequency Technique

An effective monochromatic frequency technique is described to represent the effects of finite spectral bandwidth for active and passive measurements centered on an absorption line, a trough region, or a slowly varying spectral feature. For Gaussian and rectangular laser line shapes, the effective frequency is shown to have a simple form which depends only on the instrumental line shape and bandwidth and not on the absorption line profile. The technique yields accuracies better than 0.1% for bandwidths less than 0.2 times the atmospheric line width.

Kirk, C. Laurence↗
DOE OSTI2024

Second-order spectral line shift comparisons

The second-order spectral line width formulae from the projection operator and kinetic theory methods were recently compared. It was shown that a systematic expansion of the projection operator width expression including initial correlations formally agrees with the second-order kinetic theory result. It is now shown that the second-order dynamic shifts are also formally the same. The static shifts, however, differ due to an ad hoc treatment of electron-electron correlations in the projection operator method. The approximation is necessary in order to screen the radiator-electron interactions. The differences, however, are expected to be small. Finally, the results suggest using the rigorous and more compact second-order width and shift expressions from the kinetic theory method as the starting point for spectral line shape calculations. At line center, however, the projection operator second-order expression for the width and shift simplifies and reduces to the kinetic theory result.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1981

Middle atmosphere project: A radiative heating and cooling algorithm for a numerical model of the large scale stratospheric circulation

A Curtis matrix is used to compute cooling by the 15 micron and 10 micron bands of carbon dioxide. Escape of radiation to space and exchange the lower boundary are used for the 9.6 micron band of ozone. Voigt line shape, vibrational relaxation, line overlap, and the temperature dependence of line strength distributions and transmission functions are incorporated into the Curtis matrices. The distributions of the atmospheric constituents included in the algorithm, and the method used to compute the Curtis matrices are discussed as well as cooling or heating by the 9.6 micron band of ozone. The FORTRAN programs and subroutines that were developed are described and listed.

Wehrbein, W. M.↗
NASA NTRS1984

Collisional narrowing effects in the Raman Q-branch spectral profiles of N2, CO, and NO

A description is presented of coherent Raman spectroscopic studies of N2, CO, and NO molecules. It is pointed out that the Q-branch Raman spectra of these simple diatomics are characterized by lines which overlap with increasing pressure as a result of collisional line broadening. Attention is given to Q-branch vibrational spectra and their determination, the spectral line shape of isolated lines, the line overlap regime, fitting laws, and the isotropic Raman spectrum of NO. It is found that the room temperature spectra of the considered molecules at low pressure (approximately 0.2 atm) may be treated as a sum of isolated lines. It is possible to extract J-dependent pressure-broadening coefficients. With increasing pressure, collisional narrowing occurs and the description of the spectrum must include the effects of interference among neighboring lines.

Hurst, W. S.↗
NASA NTRS1979

Investigation of infrared spectra of atmospheric gases to support stratospheric spectroscopic investigations

Four papers are presented which discuss the following: information measures in nonlinear experimental design; information in spectra of collision broadened absorption lines; band analysis by spectral curve fitting; and least squares analysis of Voight shaped lines. Abstracts of five research papers on which the author collaborated and which were delivered at the 34th Symposium of Molecular Spectroscopy (Ohio State University, June 1979) are included along with a subroutine for use with BMDP3R to retrieve the parameters of 10 Voight shaped lines.

Shaw, J. H.↗
DOE OSTI2024

In-situ relative calibration of Bragg crystals with Monte Carlo line ratio analysis

X-ray line emission spectra can thoroughly characterize hot plasmas, especially when line shapes and ratios convey distinct aspects of plasma conditions. However, the high spectral resolution required for observing line shapes is often at odds with the large bandwidth required to observe many line ratios across a wide spectral range. One strategy to obtain high spectral resolution over a wide bandwidth is to use multiple crystals with calibrated reflectivity so that line intensities across different crystals can be compared. Here, we explore the use of a low-resolution, wide-bandwidth mica survey spectrometer to infer relative reflectivity of two high-resolution, narrow-bandwidth quartz crystals. Finally, a Monte Carlo error analysis determines comparable x-ray line ratios measured from both spectrometers, resulting in an in situ calibration factor and associated uncertainty for the relative reflectivity of the high-resolution crystals.

47 OTHER INSTRUMENTATION↗
NASA NTRS1978

Model for interpreting Doppler broadened optical line emission measurements on axially symmetric plasma

A plasma model, previously developed to interpret neutral-particle analyzer measurements on E x B heating devices, is adapted to analyze Doppler broadened charge-exchange-neutral lines measured by an optical monochromator. Comparison of theoretical with experimental results indicates that azimuthal drift as well as cyclotron motion are quite influential in determining line shapes and widths, and thus important in temperature determination, even when the monochromator line of sight is intersecting the plasma axis of symmetry. At this central sighting position, however, results are quite insensitive to radial ion density distribution when time lag between the charge-exchange-excitation events and emission is neglected. Line shapes and widths obtained by sighting across chords of plasma at various distances from the plasma axis of symmetry indicate a strong dependence on time lag.

Englert, G. W.↗
NASA NTRS1995

Thermal Line Shift and Broadening of Ho(3+) in Y3AI5O12 and Lu3AIO12

The interaction between the active ion and the host lattice manifests itself in two distinct ways: the static interaction with the crystal field that causes the splitting of the free ion energy levels and the active interaction through the surrounding phonon system that produces temperature dependent characteristics in the optical spectrum of the ion (e.g. line broadening and line shift). The strength of the splitting depends heavily on the electronic configuration of the atom. The model give by McCumber and Sturge describes the thermal effects on line width and position above 77 K with Raman scattering of Debye model phonons. These processes predict a Lorentzian line shape. However, below 77 K the principal contributions are from crystal inhomogeneities that result in a Gaussian line shape. We have investigated the experimental Stark levels as well as the thermal effects on the line width and the position of trivalent holmium ions in both yttrium aluminum garnet, Y3Al5O12 (YAG) and lutetium aluminum garnet, Lu3Al5O12 (LuAG) crystals. We have compared the Stark levels of the (5)I(6) state, and the thermal line shift and broadening of an isolated transition (Z2 to X13) between the (5)I(8) and (5)I(6) stark levels in these crystals. This transition occurs in the near infrared region at approximately 1117 nm.

Snoke, Elizabeth R.↗
NASA NTRS1979

A computer program for thermal radiation from gaseous rocket exhuast plumes (GASRAD)

A computer code is presented for predicting incident thermal radiation from defined plume gas properties in either axisymmetric or cylindrical coordinate systems. The radiation model is a statistical band model for exponential line strength distribution with Lorentz/Doppler line shapes for 5 gaseous species (H2O, CO2, CO, HCl and HF) and an appoximate (non-scattering) treatment of carbon particles. The Curtis-Godson approximation is used for inhomogeneous gases, but a subroutine is available for using Young's intuitive derivative method for H2O with Lorentz line shape and exponentially-tailed-inverse line strength distribution. The geometry model provides integration over a hemisphere with up to 6 individually oriented identical axisymmetric plumes, a single 3-D plume, Shading surfaces may be used in any of 7 shapes, and a conical limit may be defined for the plume to set individual line-of-signt limits. Intermediate coordinate systems may specified to simplify input of plumes and shading surfaces.

Reardon, J. E.↗
NASA NTRS1978

Measurement of the daytime photoelectron energy distribution from AE-E with improved energy resolution

A substantial improvement in energy resolution for photoelectron energy spectra in the 150-320 km altitude range is reported. The spectra were obtained with the AE-E satellite. The improvement is based on a data analysis technique which makes use of spectra obtained from the spinning spacecraft when the potential of the sensor varies slightly with respect to the ionospheric plasma as a consequence of the v x B induced voltage in the spacecraft body. The results permit determination of the line shape and area of the O and N2 304A solar radiation-produced photoelectron lines as a function of altitude. The photoelectron lines are found to be essentially unbroadened by coulomb scattering below 200 km, but substantial broadening occurs by 250 km. At 300 km, the characteristic line shape due to coulomb scattering with a degradation to low energy and a sharp high energy side can be observed readily.

Lee, J. S.↗
NASA NTRS1978

Laser excited fluorescence in the cesium-xenon excimer and the cesium dimer

Argon ion laser lines are used to excite fluorescence in a mixture of cesium and xenon. Excimer band fluorescence is observed at higher pressures (about 1 atm) while at lower pressures (several torr) a diffuse fluorescence due to the cesium dimer is observed whose character changes with exciting wavelength. The excimer fluorescence is shown to be directly related to the location of the exciting wavelength within previously measured Cs/Xe line shapes. This fact suggests that the excimer systems may be efficiently pumped through these line shapes. Qualitative energy-level schemes are proposed to explain the observations in both the excimer and dimer systems.

Exton, R. J.↗
DOE OSTI2023

Modeling of transient interference phenomena in colinear laser spectroscopy

Colinear laser spectroscopy of fast atomic beams has been established as one of the main tools to perform precision experiments with atoms containing short-lived nuclei. Although highly sensitive, the spectral resolution of these techniques is typically limited to several MHz. Here, we study the use of transient interference phenomena to potentially improve the experimental resolution. Previous attempts to implement Ramsey-type measurements with fast beams were limited by the lack of understanding of the observed line shapes. Additionally, by using a simple model, we provide a satisfactory description of the previously observed line shapes and propose alternative experimental schemes to improve the resolution in fast ion-beam experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗