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At least 145 records · Page 8

Detection and Signal Processing for Near-Field Nanoscale Fourier Transform Infrared Spectroscopy

Researchers from a broad spectrum of scientific and engineering disciplines are increasingly using scattering-type near-field infrared spectroscopic techniques to characterize materials non-destructively with nanoscale spatial resolution. However, a sub-optimal understanding of a technique's implementation can complicate data interpretation and act as a barrier to entering the field. Here the key detection and processing steps involved in producing scattering-type near-field nanoscale Fourier transform infrared spectra (nano-FTIR) are outlined. The self-contained mathematical and experimental work derives and explains: i) how normalized complex-valued nano-FTIR spectra are generated, ii) why the real and imaginary components of spectra qualitatively relate to dispersion and absorption respectively, iii) a new and generally valid equation for spectra which can be used as a springboard for additional modeling of the scattering processes, and iv) an algebraic expression that can be used to extract an approximation to the sample's local extinction coefficient from nano-FTIR. The algebraic model for weak oscillators is validated with nano-FTIR and attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectra on samples of polystyrene and Kapton and further provides a pedagogical pathway to cementing some of the technique's key qualitative attributes.

36 MATERIALS SCIENCE↗

A prescription of Winograd's discrete Fourier transform algorithm

A detailed and complete description of Winograd's discrete Fourier transform algorithm (DFT) is presented omitting all proofs and derivations. The algorithm begins with the transfer of data from the input vector array to the working array where the actual transformation takes place, otherwise known as input scrambling and output unscrambling. The third array holds constraints required in the transformation stage that are evaluated in the precomputation stage. The algorithm is made up of several FORTRAN subroutines which are not to be confused with practical software algorithmic implementation since they are designed for clarity and not for speed.

Zohar, S.↗

Calibration of the Geostationary Imaging Fourier Transform Spectrometer (GIFTS)

The NASA New Millennium Program's Geostationary Imaging Fourier Transform Spectrometer (GIFTS) requires highly accurate radiometric and spectral calibration in order to carry out its mission to provide water vapor, wind, temperature, and trace gas profiling from geostationary orbit. A calibration concept has been developed for the GIFTS Phase A instrument design. The in-flight calibration is performed using views of two on-board blackbody sources along with cold space. A radiometric calibration uncertainty analysis has been developed and used to show that the expected performance for GIFTS exceeds its top level requirement to measure brightness temperature to better than 1 K. For the Phase A GIFTS design, the spectral calibration is established by the highly stable diode laser used as the reference for interferogram sampling, and verified with comparisons to atmospheric calculations.

Best, F. A.↗

A Discussion of Using a Reconfigurable Processor to Implement the Discrete Fourier Transform

This paper presents the design and implementation of the Discrete Fourier Transform (DFT) algorithm on a reconfigurable processor system. While highly applicable to many engineering problems, the DFT is an extremely computationally intensive algorithm. Consequently, the eventual goal of this work is to enhance the execution of a floating-point precision DFT algorithm by off loading the algorithm from the computing system. This computing system, within the context of this research, is a typical high performance desktop computer with an may of field programmable gate arrays (FPGAs). FPGAs are hardware devices that are configured by software to execute an algorithm. If it is desired to change the algorithm, the software is changed to reflect the modification, then download to the FPGA, which is then itself modified. This paper will discuss methodology for developing the DFT algorithm to be implemented on the FPGA. We will discuss the algorithm, the FPGA code effort, and the results to date.

White, Michael J.↗

Geosynchronous Imaging Fourier Transform Spectrometer (GIFTS): Imaging and Tracking Capability

The geosynchronous-imaging Fourier transform spectrometer (GIFTS) engineering demonstration unit (EDU) is an imaging infrared spectrometer designed for atmospheric soundings. It measures the infrared spectrum in two spectral bands (14.6 to 8.8 microns, 6.0 to 4.4 microns) using two 128 128 detector arrays with a spectral resolution of 0.57/cm with a scan duration of approx. 11 seconds. From a geosynchronous orbit, the instrument will have the capability of taking successive measurements of such data to scan desired regions of the globe, from which atmospheric status, cloud parameters, wind field profiles, and other derived products can be retrieved. The GIFTS EDU provides a flexible and accurate testbed for the new challenges of the emerging hyperspectral era. The EDU ground-based measurement experiment, held in Logan, Utah during September 2006, demonstrated its extensive capabilities and potential for geosynchronous and other applications (e.g., Earth observing environmental measurements). This paper addresses the experiment objectives and overall performance of the sensor system with a focus on the GIFTS EDU imaging capability and proof of the GIFTS measurement concept.

Zhou, D. K.↗

FREDA: A Web Application for the Processing, Analysis, and Visualization of Fourier‐Transform Mass Spectrometry Data

The high-resolution measurement capability of Fourier-transform mass spectrometry (FT-MS) has made it a necessity for exploring the molecular composition of complex organic mixtures, like soil, plant, aquatic, and petroleum samples. This demand has driven a need for informatics tools to explore and analyze FT-MS data in a robust and reproducible manner. FREDA is an interactive web application developed to enable spectrometrists to format, process, and explore their FT-MS data without the need for statistical programming expertise. FREDA was built to explore outputs from a molecular identification tool, like CoreMS, and provide a suite of methods to filter data, compute chemical properties of peaks, statistically compare samples and groups of samples, conduct exploratory data analysis, and download the results with a report detailing all steps conducted. To demonstrate the utility of FREDA, an example analysis was conducted using FT-MS data from a soil microbiology study of samples collected in two different soil depths at the Sphagnum bog forest north of Grand Rapids, Minnesota. Differences between the two depths are observed using Kendrick, Gibbs free energy, and van Krevelen plots. G-tests are used to quantify a significant difference between the groups. All analyses and plotting are conducted using only the FREDA application. FREDA is an open-source and readily available web application that allows users to explore and make statistically valid conclusions about their FT-MS data. The application is available online (https://map.emsl.pnnl.gov/app/freda) with a tutorial web series (https://youtu.be/k5HLE2kNSBY?si=yB6sGoyvzxrFf5MP) and freely accessible code on Github (https://github.com/EMSL-Computing/FREDA).

47 OTHER INSTRUMENTATION↗

A high-resolution Fourier Transform Spectrometer for planetary spectroscopy

The employment of a high-resolution Fourier Transform Spectrometer (FTS) is described for planetary and other astronomical spectroscopy in conjunction with the 88-inch telescope at Mauna Kea Observatory. The FTS system is designed for a broad range of uses, including double-beam laboratory spectroscopy, infrared gas chromatography, and nuclear magnetic resonance spectroscopy. The data system is well-suited to astronomical applications because of its great speed in acquiring and transforming data, and because of the enormous storage capability of the magnetic tape unit supplied with the system. The basic instrument is outlined 2nd some of the initial results from the first attempted use on the Mauna Kea 88-inch telescope are reported.

Cruikshank, D. P.↗

Ordered fast fourier transforms on a massively parallel hypercube multiprocessor

Design alternatives for ordered Fast Fourier Transformation (FFT) algorithms were examined on massively parallel hypercube multiprocessors such as the Connection Machine. Particular emphasis is placed on reducing communication which is known to dominate the overall computing time. To this end, the order and computational phases of the FFT were combined, and the sequence to processor maps that reduce communication were used. The class of ordered transforms is expanded to include any FFT in which the order of the transform is the same as that of the input sequence. Two such orderings are examined, namely, standard-order and A-order which can be implemented with equal ease on the Connection Machine where orderings are determined by geometries and priorities. If the sequence has N = 2 exp r elements and the hypercube has P = 2 exp d processors, then a standard-order FFT can be implemented with d + r/2 + 1 parallel transmissions. An A-order sequence can be transformed with 2d - r/2 parallel transmissions which is r - d + 1 fewer than the standard order. A parallel method for computing the trigonometric coefficients is presented that does not use trigonometric functions or interprocessor communication. A performance of 0.9 GFLOPS was obtained for an A-order transform on the Connection Machine.

Tong, Charles↗

A Panchromatic Imaging Fourier Transform Spectrometer for the NASA Geostationary Coastal and Air Pollution Events Mission

This paper summarizes the design and development of the Panchromatic Imaging Fourier Transform Spectrometer (PanFTS) for the NASA Geostationary Coastal and Air Pollution Events (GEO-CAPE) Mission. The PanFTS instrument will advance the understanding of the global climate and atmospheric chemistry by measuring spectrally resolved outgoing thermal and reflected solar radiation. With continuous spectral coverage from the near-ultraviolet through the thermal infrared, this instrument is designed to measure pollutants, greenhouse gases, and aerosols as called for by the U.S. National Research Council Decadal Survey; Earth Science and Applications from Space: National Imperatives for the Next Decade and Beyond1. The PanFTS instrument is a hybrid instrument based on spectrometers like the Tropospheric Emissions Spectrometer (TES) that measures thermal emission, and those like the Orbiting Carbon Observatory (OCO), and the Ozone Monitoring Instrument (OMI) that measure scattered solar radiation. Simultaneous measurements over the broad spectral range from IR to UV is accomplished by a two sided interferometer with separate optical trains and detectors for the ultraviolet-visible and infrared spectral domains. This allows each side of the instrument to be independently optimized for its respective spectral domain. The overall interferometer design is compact because the two sides share a single high precision cryogenic optical path difference mechanism (OPDM) and metrology laser as well as a number of other instrument systems including the line-of-sight pointing mirror, the data management system, thermal control system, electrical system, and the mechanical structure. The PanFTS breadboard instrument has been tested in the laboratory and demonstrated the basic functionality for simultaneous measurements in the visible and infrared. It is set to begin operations in the field at the California Laboratory for Atmospheric Remote Sensing (CLARS) observatory on Mt. Wilson measuring the atmospheric chemistry across the Los Angeles basin. Development has begun on a flight size PanFTS engineering model (EM) that addresses all critical scaling issues and demonstrates operation over the full spectral range of the flight instrument which will show the PanFTS instrument design is mature.

Imaging spectrometer(↗

Recursive Use of the Short-Time Fast Fourier Transform for Signature Analysis in Continuous Processes

Although a nuclear reactor is a hostile environment for sensing and electrical communications, the reactor core is amenable to acoustic communication. An acoustic measurement infrastructure (AMI) has been installed in the Advanced Test Reactor (ATR) to record acoustic signals that can capture its different operating regimes. AMI uses coolant pumps as continuous signal sources, coolant and structural components as transmission lines, and accelerometers to capture system motion. A recursive signal processing technique based on the short-time fast Fourier transform (STFFT) for continuous processes provides unique signatures for diagnostic and prognostic analyses from the system motion data. Here this article presents a recursive STFFT methodology that processes acoustic signals from continuous industrial processes. The article first discusses the initial STFFT use with simulated data to elucidate the basic principles necessary to understand and interpret the STFFT results from actual pump vibration data. Each repetitive use of the STFFT on pump vibration data using the results from the prior STFFT processing will generate additional complimentary time-frequency-based signatures. These signatures are generated by the coolant pumps operating under different process conditions. After each use of the STFFT, the resulting signatures provide exemplary examples of the diversity and intuitive nature of recursively using the STFFT. This article focuses on recursively using the STFFT to provide numerous complimentary and diverse signatures that will ultimately be inputs for machine learning algorithms that provide predictive data analytics. The intuitive nature of the information and signatures from recursive STFFT processing will also bring intuitive interpretation capabilities to machine learning and predictive data analytic techniques.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Coupling Pulse Radiolysis with Nanosecond Time-Resolved Step-Scan Fourier Transform Infrared Spectroscopy: Broadband Mid-Infrared Detection of Radiolytically Generated Transients

We describe the first implementation of broadband, nanosecond time-resolved step-scan Fourier transform infrared (S 2 -FT-IR) spectroscopy at a pulse radiolysis facility. This new technique allows the rapid acquisition of nano- to microsecond time-resolved infrared (TRIR) spectra of transient species generated by pulse radiolysis of liquid samples at a pulsed electron accelerator. Wide regions of the mid-infrared can be probed in a single experiment, which often takes < 20–30 min to complete. It is therefore a powerful method for rapidly locating the IR absorptions of short-lived, radiation-induced species in solution, and for directly monitoring their subsequent reactions. Time-resolved step-scan FT-IR detection for pulse radiolysis thus complements our existing narrowband quantum cascade laser-based pulse radiolysis-TRIR detection system, which is more suitable for acquiring single-shot kinetics and narrowband TRIR spectra on small-volume samples and in strongly absorbing solvents, such as water. We have demonstrated the application of time-resolved step-scan FT-IR spectroscopy to pulse radiolysis by probing the metal carbonyl and organic carbonyl vibrations of the one-electron-reduced forms of two Re-based CO 2 reduction catalysts in acetonitrile solution. Transient IR absorption bands with amplitudes on the order of 1 × 10 −3 are easily detected on the sub-microsecond timescale using electron pulses as short as 250 ns.

(S2-FT-IR)↗

Broadband Fourier-Transform-Detected EPR at W-Band

This manuscript reports development of wideband Fourier transform (FT) electron paramagnetic resonance (EPR) detection capability at the uniquely high frequency of 94 GHz. Here, this technique is based on the HiPER spectrometer developed at the University of St. Andrews, into which we have integrated an arbitrary waveform generator (AWG) that is used to modulate the output from a solid-state multiplier chain prior to amplification, generating up to 1 kW microwave power with 1 GHz bandwidth. Benchmark experiments are presented for a standard TEMPOL radical, which comprises a 500 MHz broad EPR spectrum at 94 GHz. Using a single frequency-swept microwave pulse, efficient inversion of this spectrum is demonstrated, enabling frequency-dependent studies of the magnetization relaxation in the time-domain, again via broadband echo detection. From these measurements, an anisotropy in the spin–lattice relaxation time, T 1 , can be determined with ease for TEMPOL. In addition, we implement the FT detection scheme for multi-dimensional (electron–electron double resonance, or ELDOR) experiments, demonstrating the full capabilities of the HiPER spectrometer. As an example, we present FT-detected version of the ELDOR-detected nuclear magnetic resonance technique for the TEMPOL radical. We also describe potential applications of the new instrumentation for studies of gadolinium qubits.

36 MATERIALS SCIENCE↗