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DOE OSTI2022

Fast automated energy changes at synchrotron radiation beamlines equipped with transfocator or focusing mirrors

Algorithms and procedures to fully automate retuning of synchrotron radiation beamlines over wide energy ranges are discussed. The discussion is based on the implementation at the National Institute of General Medical Sciences and the National Cancer Institute Structural Biology Facility at the Advanced Photon Source. When a user selects a new beamline energy, software synchronously controls the beamline monochromator and undulator to maintain the X-ray beam flux after the monochromator, preserves beam attenuation by determining a new set of attenuator foils, changes, as needed, mirror reflecting stripes and the undulator harmonic, preserves beam focal distance of compound refractive lens focusing by changing the In/Out combination of lenses in the transfocator, and, finally, restores beam position at the sample by on-the-fly scanning of either the Kirkpatrick–Baez mirror angles or the transfocator up/down and inboard/outboard positions. The sample is protected from radiation damage by automatically moving it out of the beam during the energy change and optimization.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2020

Towards the spatial resolution of metalloprotein charge states by detailed modeling of XFEL crystallographic diffraction

Oxidation states of individual metal atoms within a metalloprotein can be assigned by examining X-ray absorption edges, which shift to higher energy for progressively more positive valence numbers. Indeed, X-ray crystallography is well suited for such a measurement, owing to its ability to spatially resolve the scattering contributions of individual metal atoms that have distinct electronic environments contributing to protein function. However, as the magnitude of the shift is quite small, about +2 eV per valence state for iron, it has only been possible to measure the effect when performed with monochromated X-ray sources at synchrotron facilities with energy resolutions in the range 2–3 × 10 −4 (Δ E / E ). This paper tests whether X-ray free-electron laser (XFEL) pulses, which have a broader bandpass (Δ E / E = 3 × 10 −3 ) when used without a monochromator, might also be useful for such studies. The program nanoBragg is used to simulate serial femtosecond crystallography (SFX) diffraction images with sufficient granularity to model the XFEL spectrum, the crystal mosaicity and the wavelength-dependent anomalous scattering factors contributed by two differently charged iron centers in the 110-amino-acid protein, ferredoxin. Bayesian methods are then used to deduce, from the simulated data, the most likely X-ray absorption curves for each metal atom in the protein, which agree well with the curves chosen for the simulation. The data analysis relies critically on the ability to measure the incident spectrum for each pulse, and also on the nanoBragg simulator to predict the size, shape and intensity profile of Bragg spots based on an underlying physical model that includes the absorption curves, which are then modified to produce the best agreement with the simulated data. This inference methodology potentially enables the use of SFX diffraction for the study of metalloenzyme mechanisms and, in general, offers a more detailed approach to Bragg spot data reduction.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

Parallel Broadband Femtosecond Reflection Spectroscopy at a Soft X-Ray Free-Electron Laser

X-ray absorption spectroscopy (XAS) and the directly linked X-ray reflectivity near absorption edges yield a wealth of specific information on the electronic structure around the resonantly addressed element. Observing the dynamic response of complex materials to optical excitations in pump–probe experiments requires high sensitivity to small changes in the spectra which in turn necessitates the brilliance of free electron laser (FEL) pulses. However, due to the fluctuating spectral content of pulses generated by self-amplified spontaneous emission (SASE), FEL experiments often struggle to reach the full sensitivity and time-resolution that FELs can in principle enable. Here, we implement a setup which solves two common challenges in this type of spectroscopy using FELs: First, we achieve a high spectral resolution by using a spectrometer downstream of the sample instead of a monochromator upstream of the sample. Thus, the full FEL bandwidth contributes to the measurement at the same time, and the FEL pulse duration is not elongated by a monochromator. Second, the FEL beam is divided into identical copies by a transmission grating beam splitter so that two spectra from separate spots on the sample (or from the sample and known reference) can be recorded in-parallel with the same spectrometer, enabling a spectrally resolved intensity normalization of pulse fluctuations in pump–probe scenarios. We analyze the capabilities of this setup around the oxygen K- and nickel L-edges recorded with third harmonic radiation of the free electron laser in Hamburg (FLASH), demonstrating the capability for pump–probe measurements with sensitivity to reflectivity changes on the per mill level.

36 MATERIALS SCIENCE↗

NASA NTRS1964

Spectral measurements by the filter method on Lewis' carbon arc solar simulators

There exists a problem in the measuring of the spectral irradiance of solar simulators. This difficulty has manifested intself in both monochromator and filter measurements. This report is the discussion of the measurements by Eppley Laboratory on the Lewis carbon arc solar Simulators, the further analysis of the method of filter radiometry made by Lewis personnel, and the comparison with the monochromator measurements. Previously when the filter technique was used it was assumed that the a priori knowledge of the source's spectral characteristics must be known. In this report it will be shown that for a carb0n arc source a knowledge of the source is not required after the filters have been properly chosen.

RADIOMETRY↗

NASA NTRS1970

Photoionization mass spectrometer

Photoionization source with a vacuum UV monochromator is used in ion reaction kinetics. Monochromator passes only the photon energies near the threshold of the selected ionization process. Absence of electron impact alleviates creation of different type ions that result in ion fragmentation.

Warneck, P.↗

NASA NTRS1973

Task 2 of the ultraviolet spectrometer experiment S169

The far ultraviolet spectrometer for the Apollo 17 lunar scientific mission was constructed to meet the specific requirements and technical specifications as directed by the National Aeronautics and Space Administration. The Ebert Scanning Monochromator (UVS) was derived from extensive experience in the development of a variety of Ebert scanning monochromators for experiments aboard rockets and satellites. This equipment has the capability to make quantitative measurements of the composition of the lunar atmosphere as seen from the Apollo 17 CSM in lunar orbit, and to study the spectra of a number of astronomical sources during trans-earth coast.

Goss, M. E.↗

NASA NTRS1973

Study of resonance light scattering for remote optical probing

Enhanced scattering and fluorescence processes in the visible and UV were investigated which will enable improved remote measurements of gas properties. The theoretical relationship between scattering and fluorescence from an isolated molecule in the approach to resonance is examined through analysis of the time dependence of re-emitted light following excitation of pulsed incident light. Quantitative estimates are developed for the relative and absolute intensities of fluorescence and resonance scattering. New results are obtained for depolarization of scattering excited by light at wavelengths within a dissociative continuum. The experimental work was performed in two separate facilities. One of these utilizes argon and krypton lasers, single moded by a tilted etalon, and a 3/4 meter double monochromator. This facility was used to determine properties of the re-emission from NO2, I2 and O3 excited by visible light. The second facility involves a narrow-line dye laser, and a 3/4 meter single monochromator. The dye laser produces pulsed light with 5 nsec pulse duration and 0.005 nm spectral width.

Penney, C. M.↗

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 NTRS1979

Total ozone determination by spectroradiometry in the middle ultraviolet

A method has been developed to determine total ozone from multispectral measurements of the direct solar irradiance. The total ozone is determined by a least squares fit to the spectrum between 290 nm and 380 nm. The aerosol extinction is accounted for by expanding it in a power series in wavelength; use of the linear term proved adequate. A mobile laboratory incorporating a sky scanner has been developed and used to obtain data to verify the method. Sun tracking, wavelength setting of the double monochromator, and data acquisition are under control of a minicomputer. Results obtained at Wallops Island, Virginia, and Palestine, Texas, agree well with simultaneous Dobson and Canterbury spectrometer and balloon ECC ozonesonde values. The wavelength calibration of the monochromator and the values for the normalized ozone absorption are the most important factors in an accurate determination of total ozone.

Garrison, L. M.↗

NASA NTRS1978

Shuttle Orbiter solid-state television camera

The Shuttle closed-circuit TV system incorporates a mix of monochrome TV cameras (in the payload bay for operations support purposes) and color cameras (in the crew cabin for crew activity monitoring purposes). These cameras currently employ glass enclosed, vacuum processed image sensors. A camera that uses a solid-state image sensor offers many extremely attractive advantages. This paper presents the current status of development of solid-state television cameras - monochrome and NTSC color - for use in various aspects of the Space Shuttle program. Results of in depth design and testing programs are discussed as well as the plans for employing these cameras in the Shuttle program.

Embrey, B. C., Jr.↗

NASA NTRS1982

Laser measurement of the spectral extinction coefficients of fluorescent, highly absorbing liquids

A conceptual method is developed to deduce rapidly the spectral extinction coefficient of fluorescent, highly absorbing liquids, such as crude or refined petroleum oils. The technique offers the advantage of only requiring one laser wavelength and a single experimental assembly and execution for any specific fluorescent liquid. The liquid is inserted into an extremely thin wedge-shaped cavity for stimulation by a laser from one side and flurescence measurement on the other side by a monochromator system. For each arbitrarily selected extinction wavelength, the wedge is driven slowly to increasing thicknesses until the fluorescence extinguishes. The fluorescence as a function of wedge thickness permits a determination of the extinction coefficient using an included theoretical model. When the monochromator is set to the laser emission wavelength, the extinction coefficient is determined using the usual on-wavelength signal extinction procedure.

Hoge, F. E.↗

NASA NTRS1985

Imaging Spectrometer for Geophysical Surveys

Airborne spectrometer combines technologies of television imaging and spectroscopy to produce data for geophysical surveys, agricultural assessments, forest and land management, and exploration for oil and minerals. Designed for Small Size, infrared imaging spectrometer uses folded telescope and passes input and output of its monochromator through hole in monochromator grating. Instrument permits analysis of terrain at many infrared wavelengths.

Labaw, C. C.↗

NASA NTRS1986

Optical Integrating Sphere for Vacuum Ultraviolet

Optical integrating sphere with integral sliding sample holder saves time by allowing radiometric measurements made on each of four samples without breaking vacuum. Designed to operate with interior evacuated so dye samples illuminated with short-wavelength ultraviolet strongly absorbed by air; need not be evacuated when using longer wavelengths. Device mounts on monochromator and evacuated through port that admits light from monochromator.

Butner, C. L.↗

NASA NTRS1983

Vertical ozone profile determination from Nimbus-7 SBUV measurements

An inversion algorithm is presented, which is used to process Nimbus-7 solar backscattered UV (SBUV) data collected between November 1978 and October 1980. The SBUV experiment utilizes a double monochromator in the nadir position which measures the backscattered solar radiation in twelve 1-nm bands; a separate photometer measures the radiance at 343.0 nm in the field of view coincident with the monochromator. The primary output of the inversion is the total ozone content in umkehr layers in units of m atm cm. In addition, the diagonal elements of the covariance matrix are reported; they represent the uncertainty in the derived ozone content in each layer. The solution covariance is noted to be independent of the measurements.

Klenk, K. F.↗

NASA NTRS1988

The detection and interpretation of long-term changes in ozone from space

Long-term measurements of backscattered ultraviolet radiances, now being acquired by orbiting monochromators, will provide the basis for seeking trends in atmospheric ozone. The unambiguous detection of ozone trends on decadal time scales demands a data set that is essentially free of instrument drifts. Periodic flights of an ultraviolet monochromator on the space shuttle will provide an independent means of evaluating the long-term stability of identical instruments operating on free-flying satellites. A successful calibration of the free-flying sensors using the shuttle instrument places strict demands on calibration repeatability from one flight to the next. In addition, spatial and temporal variability in cloud cover could pose further complications in carrying out these in-flight calibrations.

Frederick, John E.↗

NASA NTRS1989

The detection and interpretation of long-term changes in ozone from space

Frederick, John E.↗

NASA NTRS1989

X-ray/EUV optics for astronomy and microscopy; Proceedings of the Meeting, San Diego, CA, Aug. 7-11, 1989

Topics included in these proceedings are on X-ray/EUV zone plates, filters, and windows; X-ray/EUV microscopes, telescopes, and monochromators; the design, characterization, and test of multilayer optics; the fabrication of X-ray/EUV multilayer optics; and the design, characterization, and test of grazing incidence X-ray optics. Other topics are on the fabrication of grazing incidence X-ray optics, X-ray/EUV space observatories and missions, the test and calibration of X-ray/EUV instruments, X-ray polarimetry, and X-ray/EUV spectroscopy and instruments. Papers are presented on 8-keV X-ray zone plates, a cylindrical X-ray multilayer monochromator, multilayer mirrors for 182 A, advanced flow polishing of exotic optical materials, and optical analysis of grazing incidence ring resonators for free-electron lasers. Attention is also given to X-ray mirrors for the European Synchrotron Radiation Facility, the XUV wide-field camera for Rosat, an optical test and alignment method for the XMM mirror module, Bragg crystal polarimeters, and a liftoff process for multilayer phase gratings.

Hoover, Richard B.↗

NASA NTRS1997

The Algorithm for MODIS Wavelength On-Orbit Calibration using the SRCA

The Spectro-Radiometric Calibration Assembly (SRCA) provides on-orbit spectral calibration of the MODerate resolution Imaging Spectroradiometer (MODIS) reflected solar bands and this paper describes how it is accomplished. The SRCA has two adjacent exit slits: 1) Main slit and 2) Calibration slit. The output from the main slit is measured by a reference silicon photo-diode (SIPD) and then passes through the MODIS. The output from the calibration slit passes through a piece of didymium transmission glass and then it is measured by a calibration SIPD. The centroids of the sharp spectral peaks of a didyrnium glass are utilized as wavelength standards. After normalization using the reference SIPD signal to eliminate the effects of the illuminating source spectra, the calibration SIPD establishes the relationship between the peaks of the didymium spectra and the grating angle; this is accomplished through the grating equation. In the grating equation the monochromator parameters, beta (half angle between the incident and diffractive beams) and theta(sub ff) (offset angle of the grating motor) are determined by matching, in a least square sense, the known centroid wavelengths of the didymium peaks and the calculated centroid grating angles from the calibration SIPD signals for the peaks. A displacement between the calibration SIPD and the reference SIPD complicates the signal processing. The response of the MODIS bands to the SRCA output is also normalized by the reference SIPD signal to eliminate the effect of the source spectrum. That response differs from what is measured by MODIS using the Spectral Measurements Assembly (SpMA), a laboratory double-monochromator, due to the wider slit width of the SRCA. The SRCA slit function, calculated using measurements by the SPMA and the SRCA at the same MODIS temperature, will be used to recover the MODIS spectral response using the SRCA data measured on-orbit.

Montgomery, Harry↗