Spectroscopic Binary Star Studies with the Palomar Testbed Interferometer II
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techniques interferometry binary stars↗
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Fabricating Sub-collimating Grids for an X-ray Solar Imaging Spectrometer using LIGA Techniques
This paper describes fabrication of sub-collimating X-ray grids that are used in an instrument for the High Energy Solar Spectroscopic Imager ( HESSI ), a proposed NASA mission that will promote understanding of solar particle acceleration and explosive energy release in the magnetized plasmas at the Sun. The HESSI comprises 12 rotating pairs of high-aspect-ratio, high-Z grids; each pair is separated by 1.7 meters and backed by a single Ge detector.
x-ray↗
Deciphering phase evolution in complex metal oxide thin films via high-throughput materials synthesis and characterization
Discovery of structure-property relationships in thin film alloys of complex metal oxides enabled by high-throughput materials synthesis and characterization facilities is demonstrated here with a case-study. In this study, thin films of binary transition metal oxides (Ti–Zn) are prepared by pulsed laser deposition with continuously varying Ti:Zn ratio, creating combinatorial samples for exploration of the properties of this material family. The atomic structure and electronic properties are probed by spatially resolved techniques including x-ray absorption near edge structures (XANES) and x-ray fluorescence (XRF) at the Ti and Zn K-edge, x-ray diffraction, and spectroscopic ellipsometry. The observed properties as a function of Ti:Zn ratio are resolved into mixtures of five distinguishable phases by deploying multivariate curve resolution analysis on the XANES spectral series, under constraints set by results from the other characterization techniques. First-principles computations based on density function theory connect the observed properties of each distinct phase with structural and spectral characteristics of crystalline polymorphs of Ti–Zn oxide. Continuous tuning of the optical absorption edge as a function of Ti:Zn ratio, including the unusual observation of negative optical bowing, exemplifies a functional property of the film correlated to the phase evolution.
36 MATERIALS SCIENCE↗
Structure and properties of the Sr 2 In 1-x Sn x SbO 6 double perovskite
A series of n -type oxide double perovskite semiconductors, Sr 2 In 1-x Sn x SbO 6 (0 ≤ x ≤ 0.3) has been synthesized; Sn 4+ partially substitutes for In 3+ . 121 Sb and 119 Sn Mössbauer spectroscopy are employed to investigate the B-site cation ordering because this issue cannot be resolved by conventional diffraction techniques alone. Rigid ordering between In 3+ /Sn 4+ and Sb 5+ sites is revealed by the spectroscopic method, and hence in combination with the structural parameters extracted from the XRD structural refinements, the crystallographic structure of this series of compounds is depicted. Furthermore, the temperature dependent magnetic susceptibilities, band gaps, and carrier type are characterized, and the calculated band structure is presented.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Investigation of the thermal stability of phosphotungstic Wells-Dawson heteropoly-acid through in situ Raman spectroscopy
Highlights: {yields} Insitu Raman is used to monitor the thermal stability of Wells Dawson heteropolyacid. {yields} TP-Raman follows the gradual dehydration and the effect on the secondary structure. {yields} Wells-Dawson heteropolyacid does not decompose into Keggin and WO{sub 3} units below 600{sup o}C -- Abstract: The present investigation applies laser Raman spectroscopy under in situ conditions to obtain insights on the effect of the temperature on the molecular structure of the bulk phosphotungstic Wells-Dawson heteropoly-acid H{sub 6}P{sub 2}W{sub 18}O{sub 62}.xH{sub 2}O (HPA). The in situ temperature-programmed studies followed the evolution of phosphotungstic Wells-Dawson and Keggin heteropoly-acids along with tungsten trioxide under controlled atmosphere and temperature. The spectroscopic investigation of the Wells-Dawson HPA demonstrated that in situ Raman spectroscopy is a suitable technique to follow the effect of a gradual dehydration on the secondary structure of such a complex structure. Moreover, the absence of the signals belonging either to the Keggin or WO{sub 3} phases provides further evidence that the phosphotungstic heteropolyanion does not decomposes towards those materials at temperatures below 600 {sup o}C.
36 MATERIALS SCIENCE↗
Further Investigation on Chromospheric and Prominence Activity of the RS Canum Venaticorum Star SZ Piscium
To continue our study on chromospheric activity and detection for possible prominence events of the very active RS Canum Venaticorum star SZ Piscium (SZ Psc), long-term high-resolution spectroscopic observations were obtained during several observing runs from 2014 to 2018. Based on the spectral subtraction technique, the chromospheric emission of the Ca ii IRT (λ8662, λ8542, and λ8498), H{sub α}, Na i D{sub 1}, D{sub 2} doublet, H{sub β}, and Ca ii H & K lines is mainly associated with the K1 IV primary star of the SZ Psc system, in good agreement with the previous studies, and the F8 V secondary star also shows some chromospheric emission, implying its active chromosphere. Moreover, an optical flare characterized by the He i D{sub 3} line emission together with stronger emission in the other indicators was detected. Furthermore, two chromospheric active longitudes around the two quadratures of the system were identified for most of the time, and the chromospheric activity shows significant changes during a few orbital cycles. The chromospheric activity level seems to show a long-term variation during our observations. There were some excess absorption features in the subtracted H{sub α} line and the other activity indicators, which would be caused by prominence-like materials associated with the K1 IV primary star of the system. Prominence materials could absorb the chromospheric emission and continuum from the K1 IV primary star and even the F8 V secondary one.
79 ASTRONOMY AND ASTROPHYSICS↗
ENDOR and ESR studies of a stable radical in irradiated cytidine
A model is proposed for a stable radical species formed by X-irradiation in a single crystal of cytidine and studied by electron nuclear double resonance (ENDOR) and electron spin resonance (ESR) techniques at room temperature. ENDOR and ESR spectra are analyzed to obtain the principal values of the spectroscopic splitting factor and the spectroscopic and hyperfine splitting tensors. The results show hyperfine coupling of an unpaired electron to one hydrogen nucleus and two slightly different geometric forms of the radical with small differences in hyperfine couplings. It is proposed that this radical is formed in the ribose sugar group with a hydrogen atom in a beta position coupling with respect to a carbon-centered unpaired electron and a spin density of approximately 0.2 on a carbon atom.
Allison, D. L.↗
Searching for nonsolar planets
The use of infrared techniques to search for nonsolar planets is examined and compared with other possible methods. Long focus astrometry, spectroscopic radial velocity measurements and spaceborne apodization all use visible light and need further refinement to be practical. Infrared offers an advantage of about 10 to the 5th over visible light as regards the ratio of power received from star and planet. Long baseline infrared interferometry from earth orbit could place an interferometric null on the star to enhance planetary radiation and a spinning interferometer would modulate planetary emission to permit synchronous detection; such an interferometer is illustrated. The limit to sensitivity would be set by thermal radiation to the detector and the infrared component of zodiacal light.
Bracewell, R. N.↗
Theoretical study of IR band intensities and electronic transition moments for the beta and delta systems of NO
The variation of the electronic transition moment with internuclear separation has been calculated for the beta and delta systems of NO. Theoretical band intensities for the fundamental and first two overtones have also been calculated for the ground state. The results are based on the self-consistent-field plus configuration-interaction technique, and they are compared with the existing experimental data. Theoretical potential-energy curves and the spectroscopic constants for the X-squared Pi, B-squared Pi, and C-squared Pi electronic states of NO are also reported.
Cooper, D. M.↗
Determination of alloy content from plume spectral measurements
The mathematical derivation for a method to determine the identities and amounts of alloys present in a flame where numerous alloys may be present is described. This method is applicable if the total number of elemental species from all alloys that may be in the flame is greater than or equal to the total number of alloys. Arranging the atomic spectral line emission equations for the elemental species as a series of simultaneous equations enables solution for identity and amount of the alloy present in the flame. This technique is intended for identification and quantification of alloy content in the plume of a rocket engine. Spectroscopic measurements reveal the atomic species entrained in the plume. Identification of eroding alloys may lead to the identification of the eroding component.
Madzsar, George C.↗
Determination of alloy content from plume spectral measurements
The mathematical derivation for a method to determine the identities and amounts of alloys present in a flame where numerous alloys may be present is described. This method is applicable if the total number of elemental species from all alloys that may be in the flame is greater than or equal to the total number of alloys. Arranging the atomic spectral line emission equations for the elemental species as a series of simultaneous equations enables solution for identify and amount of the alloy present in the flame. This technique is intended for identification and quantification of alloy content in the plume of a rocket engine. Spectroscopic measurements reveal the atomic species entrained in the plume. Identification of eroding alloys may lead to the identification of the eroding component.
Madzsar, George C.↗
Biosensors for EVA: Improved Instrumentation for Ground-based Studies
During lunar excursions in the EVA suit, real-time measurement of metabolic rate is required to manage consumables and guide activities to ensure safe return to the base. Metabolic rate, or oxygen consumption (VO2), is normally measured from pulmonary parameters but cannot be determined with standard techniques in the oxygen-rich environment of a spacesuit. Our group has developed novel near infrared spectroscopic (NIRS) methods to calculate muscle oxygen saturation (SmO 2), hematocrit, and pH, and we recently demonstrated that we can use our NIRS sensor to measure VO 2 on the leg during cycling. Our NSBRI project has 4 objectives: (1) increase the accuracy of the metabolic rate calculation through improved prediction of stroke volume; (2) investigate the relative contributions of calf and thigh oxygen consumption to metabolic rate calculation for walking and running; (3) demonstrate that the NIRS-based noninvasive metabolic rate methodology is sensitive enough to detect decrement in VO 2 in a space analog; and (4) improve instrumentation to allow testing within a spacesuit. Over the past year we have made progress on all four objectives, but the most significant progress was made in improving the instrumentation. The NIRS system currently in use at JSC is based on fiber optics technology. Optical fiber bundles are used to deliver light from a light source in the monitor to the patient, and light reflected back from the patient s muscle to the monitor for spectroscopic analysis. The fiber optic cables are large and fragile, and there is no way to get them in and out of the test spacesuit used for ground-based studies. With complimentary funding from the US Army, we undertook a complete redesign of the sensor and control electronics to build a novel system small enough to be used within the spacesuit and portable enough to be used by a combat medic. In the new system the filament lamp used in the fiber optic system was replaced with a novel broadband near infrared LED light source. The compact grating spectrometer was replaced with a chip-scale spectrometer. With this new design, the sensor is 4 in 2 in 0.5 in, weighs 60 g, and no fiber optic cables are needed. The sensor, which contains the light source and the spectrometer, is adhered directly to the skin with medical grade adhesive. The sensor can be powered via the USB port of the laptop computer that controls the sensor operation. Alternatively, for studies in the spacesuit, the sensor can be powered by a small battery pack and operated by an ultra-portable hand-held computer. Both the handheld computer and battery pack will easily fit within the PLSS of the test spacesuit. System automation was significantly improved, to add features suggested by our colleagues in the Cardiovascular Laboratory and the NASA JSC Exercise Physiology and Countermeasures Project. The functionality and portability of this system were demonstrated in our UMass laboratory.
Soller, B.↗
DISCOVERING BRIGHT QUASARS AT INTERMEDIATE REDSHIFTS BASED ON OPTICAL/NEAR-INFRARED COLORS
The identification of quasars at intermediate redshifts (2.2 < z < 3.5) has been inefficient in most previous quasar surveys since the optical colors of quasars are similar to those of stars. The near-IR K-band excess technique has been suggested to overcome this difficulty. Our recent study also proposed to use optical/near-IR colors for selecting z < 4 quasars. To verify the effectiveness of this method, we selected a list of 105 unidentified bright targets with i ≤ 18.5 from the quasar candidates of SDSS DR6 with both SDSS ugriz optical and UKIDSS YJHK near-IR photometric data, which satisfy our proposed Y – K/g – z criterion and have photometric redshifts between 2.2 and 3.5 estimated from the nine-band SDSS-UKIDSS data. We observed 43 targets with the BFOSC instrument on the 2.16 m optical telescope at Xinglong station of the National Astronomical Observatory of China in the spring of 2012. We spectroscopically identified 36 targets as quasars with redshifts between 2.1 and 3.4. The high success rate of discovering these quasars in the SDSS spectroscopic surveyed area further demonstrates the robustness of both the Y – K/g – z selection criterion and the photometric redshift estimation technique. We also used the above criterion to investigate the possible stellar contamination rate among the quasar candidates of SDSS DR6, and found that the rate is much higher when selecting 3 < z < 3.5 quasar candidates than when selecting lower redshift candidates (z < 2.2). The significant improvement in the photometric redshift estimation when using the nine-band SDSS-UKIDSS data over the five-band SDSS data is demonstrated and a catalog of 7727 unidentified quasar candidates in SDSS DR6 selected with optical/near-IR colors and having photometric redshifts between 2.2 and 3.5 is provided. We also tested the Y – K/g – z selection criterion with the recently released SDSS-III/DR9 quasar catalog and found that 96.2% of 17,999 DR9 quasars with UKIDSS Y- and K-band data satisfy our criterion. With some available samples of red quasars and type II quasars, we find that 88% and 96.5% of these objects can be selected by the Y – K/g – z criterion, respectively, which supports our claim that using the Y – K/g – z criterion efficiently selects both unobscured and obscured quasars. We discuss the implications of our results on the ongoing and upcoming large optical and near-IR sky surveys.
79 ASTRONOMY AND ASTROPHYSICS↗
Monitoring, Controlling and Safeguarding Radiochemical Streams at Spent Fuel Reprocessing Facilities with Optical and Gamma-Ray Spectroscopic Methods
The International Atomic Energy Agency (IAEA) has established international safeguards standards for fissionable material at spent fuel reprocessing plants to ensure that significant quantities of weapons-useable nuclear material are not diverted from these facilities. For large throughput nuclear facilities, it is difficult to satisfy the IAEA safeguards accountancy goal for detection of abrupt diversion. Currently, methods to verify material control and accountancy (MC&A) at these facilities require time-consuming and resourceintensive destructive assay (DA). Leveraging new on-line non-destructive assay (NDA) process monitoring techniques in conjunction with the traditional and highly precise DA methods may provide an additional measure to nuclear material accountancy which would potentially result in a more timely, cost-effective and resource efficient means for safeguards verification at such facilities. By monitoring process control measurements (e.g. flowrates, temperatures, or concentrations of reagents, products or wastes), abnormal plant operations can be detected. Pacific Northwest National Laboratory (PNNL) is developing on-line NDA process monitoring technologies based upon gamma-ray and optical spectroscopic measurements to potentially reduce the time and resource burden associated with current techniques. The Multi-Isotope Process (MIP) Monitor uses gamma spectroscopy and multivariate analysis to identify offnormal conditions in process streams. The spectroscopic monitor continuously measures chemical compositions of the process streams including actinide metal ions (U, Pu, Np), selected fission products, and major stable flowsheet reagents using UV-Vis, Near IR and Raman spectroscopy. Multi-variate analysis is also applied to the optical measurements in order to quantify concentrations of analytes of interest within a complex array of radiochemical streams. This paper will provide an overview of these methods and reports on-going efforts to develop and demonstrate the technologies.
controlling↗
Growth and characterization of nonlinear optical single crystal: Nicotinic L-tartaric
Nonlinear optical single crystals were grown from Nicotinic and L-Tartaric acid by slow evaporation technique at room temperature. Structure of the grown crystal was confirmed by single crystal X-ray diffraction studies, The crystallinity of the Nicotinic L-Tartaric (NLT) crystals was confirmed from the powder XRD pattern. The transparent range and cut off wavelength of the grown crystal was studied by the UV–Vis spectroscopic analysis.The thermal stability of the crystal was studied by TG-DTA. The second harmonic generation (SHG) efficiency of NLT was confirmed by Kurtz Perry technique.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Theoretical Studies on the Electronic Structures and Properties of Complex Ceramic Crystals and Novel Materials
This project is a continuation of a long program supported by the Office of Basic Energy Science in the Office of Science of DOE for many years. The final three-year continuation started on November 1, 2005 with additional 1 year extension to October 30, 2009. The project was then granted a two-year No Cost Extension which officially ended on October 30, 2011. This report covers the activities within this six year period with emphasis on the work completed within the last 3 years. A total of 44 papers with acknowledgement to this grant were published or submitted. The overall objectives of this project are as follows. These objectives have been evolved over the six year period: (1) To use the state-of-the-art computational methods to investigate the electronic structures of complex ceramics and other novel crystals. (2) To further investigate the defects, surfaces/interfaces and microstructures in complex materials using large scale modeling. (3) To extend the study on ceramic materials to more complex bioceramic crystals. (4) To initiate the study on soft condensed matters including water and biomolecules. (5) To focus on the spectroscopic studies of different materials especially on the ELNES and XANES spectral calculations and their applications related to experimental techniques. (6) To develop and refine computational methods to be effectively executed on DOE supercomputers. (7) To evaluate mechanical properties of different crystals and those containing defects and relate them to the fundamental electronic structures. (8) To promote and publicize the first-principles OLCAO method developed by the PI (under DOE support for many years) for applications to large complex material systems. (9) To train a new generation of graduate students and postdoctoral fellows in modern computational materials science and condensed matter physics. (10) To establish effective international and domestic collaborations with both experimentalists and theorists in materials research. Because of the large amount of work accomplished, a diverse class of materials covered and the desire for an easier reporting process, this report will list six categories (A to F) of major accomplishments and findings under the following headings with references to the published papers under DOE support. These six categories obviously have heavy overlaps. A complete list of published papers follows the brief description on each category. Each paper also indicates to which of the six categories the main accomplishment it belongs to. A. Electronic structure of complex and novel crystals B. Impurities, surfaces, interfaces and microstructures in ceramics C. Structures and properties of complex bioceramics D. Soft condensed matters E. Spectroscopic characterizations, XANES and ELNES spectroscopy F. Large-scale simulations.
36 MATERIALS SCIENCE↗
Spectroscopic studies of Dy3+ doped borate glasses for cool white light generation
Highlights: • BAZN glasses with Dy{sup 3+} ions were prepared using melt quench technique. • Under n-UV excitation the BAZN glasses show white light emission. • Energy transfer through cross-relaxation leads to concentration quenching. • Calculated CIE coordinates are close to the commercial w-LED. • 0.5 mol% of Dy{sup 3+} in these glasses are apt for cool white light generation. - Abstract: The Dy{sup 3+} ions doped Na{sub 2}O-ZnO-Al{sub 2}O{sub 3}-B{sub 2}O{sub 3} (BAZN) glasses with variable doping concentrations were synthesized by melt-quenching technique. The XRD pattern reveals amorphous nature of the as-synthesized glass. The FT-IR spectrum reveals various stretching and bending vibration of aluminates, borate and some other groups. The emission spectra exhibit two intense bands at around 482 nm (blue) and 575 nm (yellow) corresponding to the {sup 4}F{sub 9/2} → {sup 6}H{sub 15/2} and F{sub 9/2} → {sup 6}H{sub 13/2} transitions respectively. The CIE chromaticity coordinates of the as-synthesized glasses are lying in white region and in proximity to the coordinates for white light specified by National Television Standard Committee and commercial phosphor converted white light emitting devices. The decay profile of BAZN glasses showed bi-exponential behavior due to the energy transfer mechanism from excited donor ion to unexcited acceptor ion. The above-mentioned studies show potential of the as-synthesized Dy{sup 3+} doped BAZN glasses in solid state lighting applications.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Monitoring, Controlling and Safeguarding Radiochemical Streams at Spent Fuel Reprocessing Facilities, Part 2: Gamma-Ray Spectroscopic Methods
The International Atomic Energy Agency (IAEA) has established international safeguards standards for fissionable material at spent fuel reprocessing plants to ensure that significant quantities of weapons-useable nuclear material are not diverted from these facilities. For large throughput nuclear facilities, it is difficult to satisfy the IAEA safeguards accountancy goal for detection of abrupt diversion. Currently, methods to verify material control and accountancy (MC&A) at these facilities require time-consuming and resource-intensive destructive assay (DA). Leveraging new on-line non-destructive assay (NDA) process monitoring techniques in conjunction with the traditional and highly precise DA methods may provide an additional measure to nuclear material accountancy which would potentially result in a more timely, cost-effective and resource efficient means for safeguards verification at such facilities. By monitoring process control measurements (e.g. flowrates, temperatures, or concentrations of reagents, products or wastes), abnormal plant operations can be detected. Pacific Northwest National Laboratory (PNNL) is developing on-line NDA process monitoring technologies based upon gamma-ray and optical spectroscopic measurements to potentially reduce the time and resource burden associated with current techniques. The Multi-Isotope Process (MIP) Monitor uses gamma spectroscopy and multivariate analysis to identify off-normal conditions in process streams. The spectroscopic monitor continuously measures chemical compositions of the process streams including actinide metal ions (U, Pu, Np), selected fission products, and major stable flowsheet reagents using UV-Vis, Near IR and Raman spectroscopy. Multi-variate analysis is also applied to the optical measurements in order to quantify concentrations of analytes of interest within a complex array of radiochemical streams. This paper will provide an overview of these methods and reports on-going efforts to develop and demonstrate the technologies. This paper is Part 2 of a two part series, and focuses on the gamma spectroscopy based, Multi-Isotope Process (MIP) Monitor method.
Schwantes, Jon M↗