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At least 487 records · Page 27

Natural Abundance Isotope Ratio Measurements of Organic Molecules Using 21 T FTICR MS

Subtle variations in stable isotope ratios at natural abundance are challenging to measure but can yield critical insights into biological, physical, and geochemical processes. Well established methods, particularly multi-collector, gas-source or plasma isotope ratio mass spectrometry (IRMS) are the gold standard for stable isotope measurement but inherent limitations in these approaches make them ill-suited to determining site-specific and multiply substituted isotopic abundances of all but a few compounds, or to characterizing mixtures or larger intact molecules. Additionally, Fourier transform mass spectrometry (FTMS), namely Orbitrap mass spectrometry, has recently demonstrated the ability to measure natural abundance isotope ratios with chemically informative accuracy and precision. Here, we report the first use of Fourier transform ion cyclotron resonance mass spectrometry (FTICR MS) for the accurate (<1‰) and precise (<1‰ standard error) simultaneous determination of $δ$ 13 C and $δ$ 15 N in caffeine isotopologues and provide a discussion of the critical instrumental parameters necessary to make such measurements. Finally, we report the ability to make these measurements with online liquid chromatography, expanding the ability of this technique to explore mixtures in the future.

07 ISOTOPE AND RADIATION SOURCES↗

Viewing-angle effects in radar images

A quantitative determination of the effect of viewing angle on the detectability of topographic linears in radar imagery is presented. Variations of azimuth and aspect angles of an imaging radar antenna relative to a topographic linear were simulated using low-angle illumination of controlled linear features on polystyrene sheets. The several model surfaces represented idealized versions of surface types that may be expected in areas of geologic interest. Fourier transform spectra of the radar image simulations were obtained using a coherent-optics system. These spectra were found to correlate with a detectability factor obtained directly from the radar image simulations. Fourier transform spectra of a linear feature observed from multiple viewing angles by a K-band imaging radar were also obtained and a detectability factor was estimated which agreed closely with theoretical predictions.

Eppes, T. A.↗

Three-Dimensional Radiative-Transfer Equation

Progress made toward interpretation of radiometric observations. Paper discusses equation of radiative transfer in three-dimensional, inhomogeneous, scattering medium illuminated from above and bounded below by laterallyinhomogeneous, reflective plane. Representation of radiation field with full three-dimensional variability derived by use of spatial Fourier transform and matrix-operator techniques developed previously for one-dimensional version of problem. Equations useful for radiometric measurements from aircraft and spacecraft. Although derivations and resulting equations complicated, use of Fourier-transform, matrix-operator approach to solve practical problems simpler than direct solution of complete three-dimensional, linear wave equations.

Martonchik, J. V.↗

High-resolution spectropolarimetry - A new atmospheric remote sensor

Polarimetry within a spectral line or band is proposed as a new atmospheric remote sensor, particularly for clouds and hazes. The limitations of conventional absorption/emission spectroscopy and photopolarimetry are discussed. The selective formation and behavior of intensity and polarization lines is analyzed under a variety of atmospheric and scattering conditions. The technique, limitations and advantages of Fourier Transform Spectroscopy are reviewed as a prelude to the proposed approach. Experimental results obtained at the telescope for the planet Venus are presented as evidence for the existence, behavior and effects of line polarization. Fourier Transform Spectropolarimetry provides means for separating the effects of scattering from those of absorption, probing the internal properties of clouds and hazes, and studying the detailed wavelength dependence of polarization with variable spectral resolutions from low to high.

Fymat, A. L.↗

A fast direct solver for a class of two-dimensional separable elliptic equations on the sphere

An efficient, direct, second-order solver for the discrete solution of two-dimensional separable elliptic equations on the sphere is presented. The method involves a Fourier transformation in longitude and a direct solution of the resulting coupled second-order finite difference equations in latitude. The solver is made efficient by vectorizing over longitudinal wavenumber and by using a vectorized fast Fourier transform routine. It is evaluated using a prescribed solution method and compared with a multigrid solver and the standard direct solver from FISHPAK.

Moorthi, Shrinivas↗

Estimation of Stability and Control Derivatives of an F-15

A technique for real-time estimation of stability and control derivatives (derivatives of moment coefficients with respect to control-surface deflection angles) was used to support a flight demonstration of a concept of an indirect-adaptive intelligent flight control system (IFCS). Traditionally, parameter identification, including estimation of stability and control derivatives, is done post-flight. However, for the indirect-adaptive IFCS concept, parameter identification is required during flight so that the system can modify control laws for a damaged aircraft. The flight demonstration was carried out on a highly modified F-15 airplane (see Figure 1). The main objective was to estimate the stability and control derivatives of the airplane in nearly real time. A secondary goal was to develop a system to automatically assess the quality of the results, so as to be able to tell a learning neural network which data to use. Parameter estimation was performed by use of Fourier-transform regression (FTR) a technique developed at NASA Langley Research Center. FTR is an equation- error technique that operates in the frequency domain. Data are put into the frequency domain by use of a recursive Fourier transform for a discrete frequency set. This calculation simplifies many subsequent calculations, removes biases, and automatically filters out data beyond the chosen frequency range. FTR as applied here was tailored to work with pilot inputs, which produce correlated surface positions that prevent accurate parameter estimates, by replacing half the derivatives with predicted values. FTR was also set up to work only on a recent window of data, to accommodate changes in flight condition. A system of confidence measures was developed to identify quality-parameter estimates that a learning neural network could use. This system judged the estimates primarily on the basis of their estimated variances and of the level of aircraft response. The resulting FTR system was implemented in the Simulink software system and auto-coded in the C programming language for use on the Airborne Research Test System (ARTS II) computer installed in the F-15 airplane. The Simulink model was also used in a control room that utilizes the Ring Buffered Network Bus hardware and software, making it possible to evaluate test points during flights. In-flight parameter estimation was done for piloted and automated maneuvers, primarily at three test conditions. Figure 2 shows results for pitching moment due to symmetric stabilator actuations for a series of three pitch doublet maneuvers (in a doublet maneuver, a command to change attitude in a given direction by a given amount is followed immediately by a command to change attitude in the opposite direction by the same amount). A time window of 5 seconds was used. The portions of the curves shown in red are those that passed the confidence tests. The technique showed good convergence for most derivatives for both kinds of maneuvers - typically within a few seconds. The confidence tests were marginally successful, and it would be necessary to refine them for use in an IFCS.

Smith, Mark↗

A FFT-based mesoscale continuum dislocation mechanics with defect energy: Applications to composites and polycrystals

A crystal plasticity elastoviscoplastic FFT (fast Fourier transform) formulation with a mesoscale continuum field dislocation mechanics model is presented, which incorporates a defect energy density that depends on GND densities and an associated material length scale. This allows to thermodynamically derive internal length scale dependent intra-crystalline backstress and Peach–Koehler force acting on GND densities. The model considers GND density evolution through a filtered numerical spectral approach, which is coupled with stress equilibrium through the elastoviscoplastic FFT algorithm. The discrete Fourier transform (DFT) method together with finite difference (FD) schemes is applied to solve both the backstress tensor and the Fourier–Green operator. Numerical results are first reported for two-phase laminate composites with plastic single crystal channels and elastic precipitates for shear loadings. Channel size effects are simulated and analyzed on the overall and local hardening behaviors during monotonous loadings. In addition, the evolutions of GND densities and the role of their associated backstress on size effects are examined during reversible shear loading. In a second part, the role of the defect energy internal length scale on polycrystal’s hardening during tension–compression is discussed. The results are compared to those obtained using FFT-based continuum field dislocation mechanics without defect energy.

36 MATERIALS SCIENCE↗

Shear flow aerodynamics - Lifting surface theory

A lifting surface theory based on a parallel shear flow model is presented for steady, incompressible flows. The theory is intended to account approximately for the presence of a boundary layer. The method of Fourier transforms is used to calculate the pressure on a surface of infinite extent and arbitrary contour. Immediately above the surface is a region of sheared flow (the boundary layer), outside of which the flow velocity is constant. The Fourier transform of the pressure on this surface is used to derive the shear flow equivalent to the kernel function of classical potential flow lifting surface theory. The kernel function provides an integral relation between the upwash at a given point on the surface and the pressure everywhere on the surface. This relation is treated as an integral equation for the pressure, and is solved numerically. Computations are presented for the lift and pitching moment on a flat plate in two-dimensional flow, and for flat, rectangular wings of aspect ratio 1, 2, and 5. As expected, the shear layer decreases the lift curve slope; however, the shear layer (whose thickness is constant along the wing chord) has little effect on the center of pressure.

Ventres, C. S.↗

High Resolution Spectroscopy to Support Atmospheric Measurements

Spectroscopic parameters (such as line position, intensity, broadening and shifting coefficients and their temperature dependences, line mixing coefficients etc.) for various molecular species of atmospheric interest are determined. In order to achieve these results, infrared spectra of several molecular bands are obtained using high-resolution recording instruments such as tunable diode laser spectrometer and Fourier transform spectrometers. Using sophisticated analysis routines (Multispectrum nonlinear least squares technique) these high-resolution infrared spectra are processed to determine the various spectral line parameters that are cited above. Spectra were taken using the McMath-Pierce Fourier transform spectrometer (FTS) at the National Solar Observatory on Kitt Peak, Arizona as well as the Bruker FTS at the Pacific Northwest National Laboratory (PNNL) at Richland, Washington. Most of the spectra are acquired not only at room temperature, but also at several different cold temperatures. This procedure is necessary to study the variation of the spectral line parameters as a function of temperature in order to simulate the Earth's and other planetary atmospheric environments. Depending upon the strength or weakness of the various bands recorded and analyzed, the length(s) of the absorption cells in which the gas samples under study are kept varied from a few centimeters up to several meters and the sample temperatures varied from approximately +30 C to -63 C. Research on several infrared bands of various molecular species and their isotopomers are undertaken. Those studies are briefly described.

Venkataraman, Malathy Devi↗

Space Station atmospheric monitoring systems

A technology assessment study on atmospheric monitoring systems was performed by Battelle Columbus Division for the National Aeronautics and Space Administration's John F. Kennedy Space Center under Contract No. NAS 10-11033. In this assessment, the objective was to identify, analyze, and recommend systems to sample and measure Space Station atmospheric contaminants and identify where additional research and technology advancements were required. To achieve this objective, it was necessary to define atmospheric monitoring requirements and to assess the state of the art and advanced technology and systems for technical and operational compatibility with monitoring goals. Three technical tasks were defined to support these needs: Definition of Monitoring Requirements, Assessment of Sampling and Analytical Technology, and Technology Screening and Recommendations. Based on the analysis, the principal candidates recommended for development at the Space Station's initial operational capability were: (1) long-path Fourier transform infrared for rapid detection of high-risk contamination incidences, and (2) gas chromatography/mass spectrometry utilizing mass selective detection (or ion-trap) technologies for detailed monitoring of extended crew exposure to low level (ppbv) contamination. The development of a gas chromatography/mass spectrometry/matrix isolation-Fourier transform infrared system was recommended as part of the long range program of upgrading Space Station trace-contaminant monitoring needs.

Air Pollution, Indoor/analysis↗

Three-dimensional Skyrme Hartree-Fock-Bogoliubov solver in coordinate-space representation

The coordinate-space representation of the Hartree-Fock-Bogoliubov theory is the method of choice to study weakly bound nuclei whose properties are affected by the quasiparticle continuum space. To describe such systems, we developed a three-dimensional Skyrme-Hartree-Fock-Bogoliubov solver HFBFFT based on the existing, highly optimized and parallelized Skyrme-Hartree-Fock code Sky3D. The code does not impose any self-consistent spatial symmetries such as mirror inversions or parity. The underlying equations are solved in HFBFFT directly in the canonical basis using the fast Fourier transform. To remedy the problems with pairing collapse, we implemented the soft energy cutoff and pairing annealing. The convergence of HFB solutions was improved by a sub-iteration method. The Hermiticity violation of differential operators brought by Fourier-transform-based differentiation has also been solved. Furthermore, the accuracy and performance of HFBFFT were tested by benchmarking it against other HFB codes, both spherical and deformed, for a set of nuclei, both well-bound and weakly-bound.

3D coordinate-space representation↗

The role of time and speed in NASA's SUNLITE program

The SUNLITE program of NASA's LaRC aims to demonstrate lower noise and better frequency stability for continuous-wave (CW) solid-state lasers in the microgravity environment of space. The program will utilize laser-diode-pumped nonplanar-ring oscillators regulated by ultra-stable high-finesse Fabry-Perot Spectrometers to produce light beams with phase rate or frequency variations as low as 3 Hz. SUNLITE will use the period-method (P-method) to measure the phase rate and frequency stability of the lasers. The P-method was chosen because it requires less memory space for the raw data, because frequencies can be analyzed on-line in real-time simply by reciprocating the periods (fi = 1/pi), and because the mean and variance of the frequencies can be calculated as fast or faster than they can be with the fastest fast Fourier transformations. Furthermore, for a given signal-to-noise power ratio, the P-method requires less data and less computer time to extract the noise components. Although the P-method does require fast Time Interval Counters, the Fourier transformation method requires comparably fast Sampling Volt meters. For either method, however, time and computer speed play a critical role.

Hafele, Joseph C.↗

Ultrasonic Resonance Spectroscopy of Composite Rings for Flywheel Rotors

Flywheel energy storage devices comprising multilayered composite rotor systems are being studied extensively for utilization in the International Space Station. These composite material systems were investigated with a recently developed ultrasonic resonance spectroscopy technique. The system employs a swept frequency approach and performs a fast Fourier transform on the frequency spectrum of the response signal. In addition. the system allows for equalization of the frequency spectrum, providing all frequencies with equal amounts of energy to excite higher order resonant harmonics. Interpretation of the second fast Fourier transform, along with equalization of the frequency spectrum, offers greater assurance in acquiring and analyzing the fundamental frequency, or spectrum resonance spacing. The range of frequencies swept in a pitch-catch mode was varied up to 8 MHz, depending on the material and geometry of the component. Single and multilayered material samples, with and without known defects, were evaluated to determine how the constituents of a composite material system affect the resonant frequency. Amplitude and frequency changes in the spectrum and spectrum resonance spacing domains were examined from ultrasonic responses of a flat composite coupon, thin composite rings, and thick composite rings. Also, the ultrasonic spectroscopy responses from areas with an intentional delamination and a foreign material insert, similar to defects that may occur during manufacturing malfunctions, were compared with those from defect-free areas in thin composite rings. A thick composite ring with varying thickness was tested to investigate the full-thickness resonant frequency and any possible bulk interfacial bond issues. Finally, the effect on the frequency response of naturally occurring single and clustered voids in a composite ring was established.

Harmon, Laura M.↗

Information theory optimization of signals from small-angle scattering measurements

Small-angle X-ray scattering (SAXS) of particles in solution informs on the conformational states and assemblies of biological macromolecules (bioSAXS) outside of cryo- and solid-state conditions. In bioSAXS, the SAXS measurement under dilute conditions is resolution limited, and through an inverse Fourier transform, the measured SAXS intensities directly relate to the physical space occupied by the particles via the P (r)-distribution. Yet, this inverse transform of SAXS data has been historically cast as an ill-posed, ill-conditioned problem requiring an indirect approach. Here, we show that through the applications of matrix and information theories, the inverse transform of SAXS intensity data is a well-conditioned problem. The so-called ill-conditioning of the inverse problem is directly related to the Shannon number. By exploiting the oversampling enabled by modern detectors, a direct inverse Fourier transform of the SAXS data is possible, provided the recovered information does not exceed the Shannon number. The Shannon limit corresponds to the maximum number of significant singular values that can be recovered in a SAXS experiment, suggesting this relationship is a fundamental property of band-limited inverse integral transform problems. This correspondence reduces the complexity of the inverse problem to the Shannon limit and maximum dimension. We propose a hybrid scoring function using an information theory framework that assesses both the quality of the model-data fit as well as the quality of the recovered P (r)-distribution. The hybrid score utilizes the Akaike information criteria and Durbin-Watson statistic that considers parameter-model complexity, i.e., degrees of freedom, and the randomness of the model-data residuals. The described tests and findings extend the boundaries for bioSAXS by completing the information theory formalism initiated by Peter B. Moore to enable a quantitative measure of resolution in SAXS, robustly determine maximum dimension, and more precisely define the best parameter model appropriately representing the observed scattering data.

Rambo, Robert P. [Science and Technology Facilitie↗

Comparison of the frequencies of NH3, CO2, H2O, N2O, CO, and CH4 as infrared calibration standards

The absolute accuracies of infrared calibration standards for the line positions have been investigated using a 0.0056-kayser-resolution (unapodized) Fourier-transform spectrum recorded from 550 to 5000 kayser. The spectrum has been obtained using a multicell arrangement containing the various molecular species. Detailed comoparisons reveal that standards for CO2, CH4, and N2O obtained from laser research and NH3 from Fourier-transform spectrometer research are consistent within the accuracies of the present data (+ or 0.0001 kayser). However, certain N2O, H2O, and CO values in the 1100-to 2300 kayser region are systematically high by 0.0001 to 0.0004 kayser. Correction factors for the H2O and CO standards are obtained to bring these into agreement with the laser values. In addition, corrected values for the 2nu-2 and nu-1 bands of N2O at 9 microns are reported.

Brown, L. R.↗

Dynamic Mode Decomposition of Unsteady Pressure-Sensitive Paint Measurements for the NASA Unitary Plan Wind Tunnel Tests

This paper discusses the Dynamic Mode Decomposition (DMD) of the Unsteady Pressure-Sensitive Paint (uPSP) measurements, which were collected with four Phantom high-speed cameras at a constant sample frequency in the Ascent Transient Aerodynamics Test (ATAT) of the Space Launch System (SLS) Block 1 cargo vehicle with the Unitary Plan Wind Tunnel (UPWT) 11-by-11-foot Transonic Wind Tunnel in September 2019 at NASA Ames Research Center. The conventional DMD algorithm is based on the Singular Value Decomposition (SVD). For the data with zero mean, the DMD is equivalent to the Discrete Fourier Transform (DFT). Since the uPSP is mainly used to determine the unsteady property of the aerodynamic flow, the DMD of the uPSP measurements is implemented in two steps: (1) subtract the mean value from the uPSP measurement; (2) apply the Fast Fourier Transform (FFT) on the resulting data with zero mean. The DMD of the uPSP measurements with FFT has two advantages: (1) the FFT algorithm is well known for its computational efficiency, therefore, compared to the SVD-based DMD algorithm, the DMD with FFT reduces the computation time; (2) the DMD with FFT can be easily implemented in parallel processing. The DMD outputs were generated with the execution in parallel of a code in C, with libraries of FFTW for FFT and MPI/OpenMP for parallel processing, on the NASA Pleiades supercomputer. In this paper, the results of DMD of the uPSP measurements in the tests of Mach sweep runs of the SLS ATAT are presented, and the effectiveness of the DMD of the uPSP measurements in the diagnosis of the unsteady, aerodynamic phenomena is demonstrated. The work described in this paper is a part of NASA’s development of a new state-of-the-art uPSP capability in production wind tunnels. Funding for this research was provided by the NASA Aeroscience Evaluation and Test Capabilities Project.

Pressure-Sensitive Paint↗

Propagation characteristics of optical fiber structures with arbitrary shape and index variation

The application of the scalar wave-fast Fourier transform (SW-FFT) technique to the computation of the propagation characteristics of some complex optical fiber structures is presented. The SW-FFT technique is based on the numerical solution of the scalar wave equation by a forward-marching fast Fourier transform method. This solution yields the spatial configuration of the fields as well as its modal characteristics in and around the guiding structure. The following are treated by the SW-FFT method: analysis of coupled optical fibers and computation of their odd and even modes and coupling length; the solution of tapered optical waveguides (transitions) and the study of the effect of the slope of the taper on mode conversion; and the analysis of branching optical fibers and demonstration of their mode-filtering and/or power-dividing properties.

Manshadi, F.↗

Time-dependent treatment of scattering - Integral equation approaches using the time-dependent amplitude density

The time-dependent form of the Lippmann-Schwinger integral equation is used as the basis of several new wave packet propagation schemes. These can be formulated in terms of either the time-dependent wave function or a time-dependent amplitude density. The latter is nonzero only in the region of configuratiaon space for which the potential is nonzero, thereby in principle obviating the necessity of large grids or the use of complex absorbing potentials when resonances cause long collision times (leading, consequently, to long propagation times). Transition amplitudes are obtained in terms of Fourier transforms of the amplitude density from the time to the energy domain. The approach is illustrated by an application to a standard potential scattering model problem where, as in previous studies, the action of the kinetic energy operator is evaluated by fast Fourier transform (FFT) techniques.

Hoffman, David K.↗