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At least 1,513 records · Page 84

Large-Scale Interlaboratory DI-FT-ICR MS Comparability Study Employing Various Systems

We report ultra-high resolution mass spectrometry (UHR-MS) coupled with direct infusion (DI) electrospray ionization offers a fast solution for accurate untargeted profiling. Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometers have been shown to produce a wealth of insights into complex chemical systems because they enable unambiguous molecular formula assignment even if the vast majority of signals is of unknown identity. Inter-laboratory comparisons are required to apply this type of instrumentation in quality control (for food industry or pharmaceutics), large-scale environmental studies or clinical diagnostics. Extended comparisons employing different FT-ICR MS instruments with qualitative direct infusion analysis are scarce since the majority of detected compounds cannot be quantified. The extent to which observations can be reproduced by different laboratories remains unknown. We set up a preliminary study which encompassed a set of seventeen laboratories around the globe, diverse in instrumental characteristics and applications, to analyze the same sets of extracts from commercially available standard human blood plasma and Standard Reference Material (SRM) for blood plasma (SRM1950), which were delivered at different dilutions or spiked with different concentrations of pesticides. The aim of this study was to assess the extent to which the outputs of differently tuned FTICR mass spectrometers, with different technical specifications, are comparable for setting the frames of a future DI-FT-ICR MS ring trial. We concluded that a cluster of five laboratories, with diverse instrumental characteristics showed comparable and representative performance across all experiments, setting a reference to be used in a future ring trial on blood plasma.

47 OTHER INSTRUMENTATION↗

Characterization of DESI fiber assignment incompleteness effect on 2-point clustering and mitigation methods for DR1 analysis

We present an in-depth analysis of the fiber assignment incompleteness in the Dark EnergySpectroscopic Instrument (DESI) Data Release 1 (DR1). This incompleteness is caused by therestricted mobility of the robotic fiber positioner in the DESI focal plane, which limits thenumber of galaxies that can be observed at the same time, especially at small angular separations.As a result, the observed clustering amplitude is suppressed in a scale-dependent manner, which,if not addressed, can severely impact the inference of cosmological parameters. We discuss themethods adopted for simulating fiber assignment on mocks and data. In particular, we introducethe fast fiber assignment (FFA) emulator, which was employed to obtain the power spectrumcovariance adopted for the DR1 full-shape analysis. We present the mitigation techniques,organised in two classes: measurement stage and model stage. We then use high fidelity mocks as areference to quantify both the accuracy of the FFA emulator and the effectiveness of the differentmeasurement-stage mitigation techniques. This complements the studies conducted in a parallelpaper for the model-stage techniques, namely the θ-cut approach. We find that pairwiseinverse probability (PIP) weights with angular upweighting recover the “true” clustering in allthe cases considered, in both Fourier and configuration space. Notably, we present the first everpower spectrum measurement with PIP weights from real data.

79 ASTRONOMY AND ASTROPHYSICS↗

The Incorporation of Truncated Fourier Series into Finite Difference Approximations of Structural Stability Equations

A new trigonometric approach to the finite difference calculus was applied to the problem of beam buckling as represented by virtual work and equilibrium equations. The trigonometric functions were varied by adjusting a wavelength parameter in the approximating Fourier series. Values of the critical force obtained from the modified approach for beams with a variety of boundary conditions were compared to results using the conventional finite difference method. The trigonometric approach produced significantly more accurate approximations for the critical force than the conventional approach for a relatively wide range in values of the wavelength parameter; and the optimizing value of the wavelength parameter corresponded to the half-wavelength of the buckled mode shape. It was found from a modal analysis that the most accurate solutions are obtained when the approximating function closely represents the actual displacement function and matches the actual boundary conditions.

Hannah, S. R.↗

Aerodynamic shape optimization of arbitrary hypersonic vehicles

A new method was developed to optimize, in terms of aerodynamic wave drag minimization, arbitrary (nonaxisymmetric) hypersonic vehicles in modified Newtonian flow, while maintaining the initial volume and length of the vehicle. This new method uses either a surface fitted Fourier series to represent the vehicle's geometry or an independent point motion algorithm. In either case, the coefficients of the Fourier series or the spatial locations of the points defining each cross section were varied and a numerical optimization algorithm based on a quasi-Newton gradient search concept was used to determine the new optimal configuration. Results indicate a significant decrease in aerodynamic wave drag for simple and complex geometries at relatively low CPU costs. In the case of a cone, the results agreed well with known analytical optimum ogive shapes. The procedure is capable of accepting more complex flow field analysis codes.

Dulikravich, George S.↗

Optical Characterization of the Keck Array and BICEP3 CMB Polarimeters from 2016 to 2019

The BICEP/Keck experiment (BK) is a series of small-aperture refracting telescopes observing degree-scale cosmic microwave background (CMB) polarization from the South Pole in search of a primordial B-mode signature. This B-mode signal arises from primordial gravitational waves interacting with the CMB and has amplitude parametrized by the tensor-to-scalar ratio r. Since 2016, BICEP3 and the Keck Array have been observing with 4800 total antenna-coupled transition-edge sensor detectors, with frequency bands spanning 95, 150, 220, and 270 GHz. Here we present the optical performance of these receivers from 2016 to 2019, including far-field beams measured in situ with an improved chopped thermal source and instrument spectral response measured with a field-deployable Fourier transform spectrometer. As a pair differencing experiment, an important systematic that must be controlled is the differential beam response between the co-located, orthogonally polarized detectors. We generate per-detector far-field beam maps and the corresponding differential beam mismatch that is used to estimate the temperature-to-polarization leakage in our CMB maps and to give feedback on detector and optics fabrication. The differential beam parameters presented here were estimated using improved low-level beam map analysis techniques, including efficient removal of non-Gaussian noise as well as improved spatial masking. These techniques help minimize systematic uncertainty in the beam analysis, with the goal of constraining the bias on r induced by temperature-to-polarization leakage to be subdominant to the statistical uncertainty. This is essential as we progress to higher detector counts in the next generation of CMB experiments.

79 ASTRONOMY AND ASTROPHYSICS↗

Gold Nanoparticles AuNP Decorated on Fused Graphene-like Materials for Application in a Hydrogen Generation

The search for a sustainable, alternative fuel source to replace fossil fuels has led to an increased interest in hydrogen fuel. This combustible gas is not only clean-burning but can readily be produced via the hydrolysis of sodium borohydride. The main drawback of this reaction is that the reaction occurs relatively slowly and requires a catalyst to improve efficiency. This study explored a novel composite material made by combining gold nanoparticles and fused graphene-like materials (AuFGLM) as a catalyst for generating hydrogen via sodium borohydride. The novel fused graphene-like material (FGLM) was made with a sustainable dextrose solution and by using a pressure-processing method. Imaging techniques showed that FGLM appears to be an effective support template for nanoparticles. Transmission electron microscopy (TEM), scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDS), Fourier-transform infrared spectroscopy (FTIR), X-ray diffraction (XRD) and Raman spectroscopy were used to characterize and determine the size, shape, and structure of nanoparticles and composites. The TEM study characterized the fused carbon backbone as it began to take on a rounder shape. The TEM images also revealed that the average diameter of the gold nanoparticle was roughly 23 nm. The FTIR study confirmed O-H, C-C, and C=O as functional groups in the materials. The EDS analysis showed that the composite contained approximately 6.3% gold by weight. The crystal structures of FGLM and AuFGLM were identified via P-XRD analysis. Various reaction conditions were used to test the catalytic ability of AuFGLM, including various solution pHs, temperatures, and doses of NaBH 4 . It was observed that optimal reaction conditions included high temperature, an acidic solution pH, and a higher dose of NaBH 4 . The activation energy of the reaction was determined to be 45.5 kJ mol -1 , and it was found that the catalyst could be used multiple times in a row with an increased volume of hydrogen produced in ensuing trials. The activation energy of this novel catalyst is competitive compared to similar catalysts and its ability to produce hydrogen over multiple uses makes the material an exciting choice for catalyzing the hydrolysis of NaBH 4 for use as a hydrogen fuel source.

08 HYDROGEN↗

High-resolution interferometric spectrophotopolarimetry

Spectrophotopolarimetric capability can be added to a laboratory interferometer-spectrometer by use of a specially designed module described herein. With the instrument so augmented, high-resolution spectra can be obtained of the Stokes parameters of the reference beam and the beams diffusely reflected or transmitted by a sample medium of interest. For any such beam, the exponential Fourier transforms of the two interferograms obtained with a polarizer-analyzer oriented along the 0 deg and the 90 deg directions provide the spectra of I and Q, separately. Within experimental (and numerical) noise, this I spectrum should be the same as the one obtained with the polarizer removed. The remaining Stokes parameters U and V are obtained with a third interferogram recorded with the polarizer along the 45 deg direction. The complete theory of this instrument is described including the detailed analysis of the polarization-interferograms it provides.

Fymat, A. L.↗

Quantum assignments and intensity measures for methane between 1100 and 1800 per cm - A comparison between theory and experiment

The paper analyzes line positions and absolute line strengths of Blatherwick et al. (1979), based on moderately high resolution spectra of methane between 1100 and 1800 per cm, obtained using the Fourier transform spectrometer and the multiple-pass cold cell at the NASA Ames Research Center. Hamiltonian models are used to calculate theoretical relative line strengths, which, in combination with measured line strengths, yield integrated band strengths for the fundamentals v2 and v4. Ratios of calculated intensities to experimental intensities are analyzed, and the systematic deviations in the P- and R-branches of the v2 band are found to be represented by a Herman-Wallis type factor for Coriolis interactions. An analysis of ratios of calculated to experimental intensities of the v4 band yields a small correction to the Herman-Wallis factor.

Lutz, B. L.↗

Variable-permittivity linear inverse problem for the H(sub z)-polarized case

The H(sub z)-polarized inverse problem has rarely been studied before due to the complicated way in which the unknown permittivity appears in the wave equation. This problem is equivalent to the acoustic inverse problem with variable density. We have recently reported the solution to the nonlinear variable-permittivity H(sub z)-polarized inverse problem using the Born iterative method. Here, the linear inverse problem is solved for permittivity (epsilon) and permeability (mu) using a different approach which is an extension of the basic ideas of diffraction tomography (DT). The key to solving this problem is to utilize frequency diversity to obtain the required independent measurements. The receivers are assumed to be in the far field of the object, and plane wave incidence is also assumed. It is assumed that the scatterer is weak, so that the Born approximation can be used to arrive at a relationship between the measured pressure field and two terms related to the spatial Fourier transform of the two unknowns, epsilon and mu. The term involving permeability corresponds to monopole scattering and that for permittivity to dipole scattering. Measurements at several frequencies are used and a least squares problem is solved to reconstruct epsilon and mu. It is observed that the low spatial frequencies in the spectra of epsilon and mu produce inaccuracies in the results. Hence, a regularization method is devised to remove this problem. Several results are shown. Low contrast objects for which the above analysis holds are used to show that good reconstructions are obtained for both permittivity and permeability after regularization is applied.

Moghaddam, M.↗

Regional Variations in the Diurnal Cycle of Tropical Precipitation as Represented by IMERG, ERA5, and Spaceborne Ku Radar

The diurnal cycle of precipitation is highly regional and is typically a product of multiple competing effects that can be highly localized. The diurnal cycle in high precipitation regions such as the Amazon and the Maritime Continent are of particular interest, especially due to the complex coastal effects which take place over the Maritime Continent. The high spatial and temporal resolution provided by the Integrated Multi-satellitE Retrievals for Global Precipitation Measurement (GPM) mission (IMERG) dataset, is used in this study to examine the fine-scale features of the diurnal cycle in these regions. Using an 18-year (2000 – 2018) record of IMERG precipitation observations, diurnal and semidiurnal phase and amplitude are calculated using a fast Fourier transform (FFT) method on precipitation averaged for each half-hour of the day at 0.1°x0.1° spatial resolution. We first introduce an objective method of identifying locations where the diurnal signals are robust and strong. Clear patterns of precipitation phase propagation with distance from shore are shown over both regions, with the diurnal phase and amplitude exhibiting a strong dependence on the distance from the coastline. Semidiurnal cycles are generally weaker than the diurnal cycle except in some isolated locations. Similar analysis is also conducted on the ERA5 reanalysis data in order to evaluate the model’s representation of the precipitation diurnal cycle. The model captures the broad scale patterns of diurnal variability but does not capture all the fine scale patterns nor the exact timing that is observed by IMERG. Comparisons are also made to a long record Ku radar dataset created by combining Tropical Rainfall Measuring Mission (TRMM) and GPM observations, thus providing an additional point of comparison for the timing of the ERA5 precipitation peak, since the timing precipitation can be different, even in between observational datasets.

L J Hayden↗

Fast Quasi-Static Time-Series Simulation for Accurate PV Inverter Semiconductor Fatigue Analysis with a Long-Term Solar Profile

Power system simulations with long-term data typically have large time steps varying from one second to a few minutes. However, for PV inverter semiconductors, the minimum thermal stress cycle occurs over the fundamental grid frequency (50 or 60 Hz). This requires the time step of the fatigue simulation to be around 100 µs. This small time step requires long computation times to process yearly power production profiles. This paper proposes a fast fatigue simulation for inverter semiconductors using the quasi-static time series (QSTS) simulation concept. The proposed simulation calculates the steady state of the semiconductor junction temperature by using a Fast Fourier Transform (FFT). The small thermal cycling during a switching period and even over the fundamental waveform is disregarded to further accelerate the simulation speed. The resulting time step of the fatigue simulation is 15 minutes, which is consistent with the solar dataset. The error of the proposed simulation is 0.16% compared to the fatigue simulation results using the complete thermal stress profile. A PV inverter that responds to a Transactive Energy System (TES) is simulated to demonstrate the use of the proposed fatigue simulation. The proposed simulation has the potential to co-simulate with system level simulation tools that also adopt the QSTS concept.

Liu, Yunting↗

User Interactive Software for Analysis of Human Physiological Data

Ambulatory physiological monitoring has been used to study human health and performance in space and in a variety of Earth-based environments (e.g., military aircraft, armored vehicles, small groups in isolation, and patients). Large, multi-channel data files are typically recorded in these environments, and these files often require the removal of contaminated data prior to processing and analyses. Physiological data processing can now be performed with user-friendly, interactive software developed by the Ames Psychophysiology Research Laboratory. This software, which runs on a Windows platform, contains various signal-processing routines for both time- and frequency- domain data analyses (e.g., peak detection, differentiation and integration, digital filtering, adaptive thresholds, Fast Fourier Transform power spectrum, auto-correlation, etc.). Data acquired with any ambulatory monitoring system that provides text or binary file format are easily imported to the processing software. The application provides a graphical user interface where one can manually select and correct data artifacts utilizing linear and zero interpolation and adding trigger points for missed peaks. Block and moving average routines are also provided for data reduction. Processed data in numeric and graphic format can be exported to Excel. This software, PostProc (for post-processing) requires the Dadisp engineering spreadsheet (DSP Development Corp), or equivalent, for implementation. Specific processing routines were written for electrocardiography, electroencephalography, electromyography, blood pressure, skin conductance level, impedance cardiography (cardiac output, stroke volume, thoracic fluid volume), temperature, and respiration

Cowings, Patricia S.↗

Physiological time-series analysis: what does regularity quantify?

Approximate entropy (ApEn) is a recently developed statistic quantifying regularity and complexity that appears to have potential application to a wide variety of physiological and clinical time-series data. The focus here is to provide a better understanding of ApEn to facilitate its proper utilization, application, and interpretation. After giving the formal mathematical description of ApEn, we provide a multistep description of the algorithm as applied to two contrasting clinical heart rate data sets. We discuss algorithm implementation and interpretation and introduce a general mathematical hypothesis of the dynamics of a wide class of diseases, indicating the utility of ApEn to test this hypothesis. We indicate the relationship of ApEn to variability measures, the Fourier spectrum, and algorithms motivated by study of chaotic dynamics. We discuss further mathematical properties of ApEn, including the choice of input parameters, statistical issues, and modeling considerations, and we conclude with a section on caveats to ensure correct ApEn utilization.

NASA Discipline Cardiopulmonary↗

Constraining the Composition of the Subcontinental Lithospheric Mantle Beneath the East African Rift: FTIR Analysis of Water in Spinel Peridotite Mantle Xenoliths

The East African Rift System was initiated by the impingement of the Afar mantle plume on the base of the non-cratonic continental lithosphere (assembled during the Pan-African Orogeny), producing over 300,000 kmof continental flood basalts approx.30 Ma ago. The contribution of the subcontinental lithospheric mantle (SCLM) to this voluminous period of volcanism is implied based on basaltic geochemical and isotopic data. However, the role of percolating melts on the SCLM composition is less clear. Metasomatism is capable of hybridizing or overprinting the geochemical signature of the SCLM. In addition, models suggest that adding fluids to lithospheric mantle affects its stability. We investigated the nature of the SCLM using Fourier transform infrared spectrometry (FTIR) to measure water content in mantle xenoliths entrained in young (1 Ma) basaltic lavas from the Ethiopian volcanic province. The mantle xenoliths consist dominantly of spinel lherzolites and are composed of nominally anhydrous minerals, which can contain trace water as H in mineral defects. Eleven mantle xenoliths come from the Injibara-Gojam region and two from the Mega-Sidamo region. Water abundances of olivines in six samples are 1-5ppm H2O while the rest are below the limit of detection (<0.5 ppm H2O); orthopyroxene and clinopyroxene contain 80-238 and 111-340 ppm wt H2O, respectively. Two xenoliths have higher water contents - a websterite (470 ppm) and dunite (229 ppm), consistent with involvement of ascending melts. The low water content of the upper SCLM beneath Ethiopia is as dry as the oceanic mantle except for small domains represented by percolating melts. Consequently, rifting of the East African lithosphere may not have been facilitated by a hydrated upper mantle.

Erickson, Stephanie Gwen↗

In Situ Identification of Reaction Intermediates and Mechanistic Understandings of Methane Oxidation over Hematite: A Combined Experimental and Theoretical Study

Effective methane utilization for either clean power generation or value-added chemical production has been a subject of growing attention worldwide for decades, yet challenges persist mostly in relation to methane activation under mild conditions. Here, we report hematite, an earth-abundant material, to be highly effective and thermally stable to catalyze methane combustion at low temperatures (<500 °C) with a low light-off temperature of 230 °C and 100% selectivity to CO 2 . The reported performance is impressive and comparable to those of precious-metal-based catalysts, with a low apparent activation energy of 17.60 kcal·mol –1 . Our theoretical analysis shows that the excellent performance stems from a tetra-iron center with an antiferromagnetically coupled iron dimer on the hematite (110) surface, analogous to that of the methanotroph enzyme methane monooxygenase that activates methane at ambient conditions in nature. Isotopic oxygen tracer experiments support a Mars van Krevelen redox mechanism where CH 4 is activated by reaction with a hematite surface oxygen first, followed by a catalytic cycle through a molecular-dioxygen-assisted pathway. Surface studies with in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) and density functional theory (DFT) calculations reveal the evolution of reaction intermediates from a methoxy CH 3 –O–Fe, to a bridging bidentate formate b-HCOO–Fe, to a monodentate formate m-HCOO–Fe, before CO 2 is eventually formed via a combination of thermal hydrogen-atom transfer (HAT) and proton-coupled electron transfer (PCET) processes. Finally, the elucidation of the reaction mechanism and the intermediate evolutionary profile may allow future development of catalytic syntheses of oxygenated products from CH 4 in gas-phase heterogeneous catalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Effect of neighboring grain orientation on strain localization in slip bands in HCP materials

Particularly in plastically anisotropic crystals, such as hexagonal close packed (HCP) materials, plastic deformation is realized by slip acting in the small volumes within individual crystals. Here we extend a full field fast Fourier transform (FFT)-based elasto-viscoplastic formulation to simulate the development of a single slip band on either prismatic or basal planes spanning a crystal. Calculations of the strain and stress fields induced locally within the band and parent crystal, and ahead of the band/grain boundary junction in the neighboring crystal are analyzed as the slip band intensifies under increasing applied strain. We report a substantial influence of the crystallographic orientation of the nearest neighboring grain on the rate of slip band localization. Performing the analysis on two materials, CP-Ti and Mg, indicates that the strength of the material affects the rate of localization, with stronger materials tending to localize more easily. A slip band tip stress-based criterion is proposed for identifying the nearest neighbor orientations in which slip band transmission is possible and the likely slip system for which it occurs. This indicator is validated against experimental studies on commercially pure Ti, an Mg–Y alloy, and Ti–6Al–4V. Finally, we show that for low GB misorientations, the slip band is likely to transmit into another slip band of the same type in the neighbor grain, while for high GB misorientations, it is likely to transmit into one of a different type or to not transmit at all.

36 MATERIALS SCIENCE↗

Trajectory prediction dimensionality reduction for low-cost connected automated vehicle systems

Here, to facilitate low-cost connected automated vehicle (CAV) system development, this study proposes two interpretable dimensionality reduction techniques in vehicle trajectory prediction, i.e., the piecewise Taylor series approximation (PTA) and the piecewise Fourier series approximation (PFA), to lower computation complexity, reduce device investment, and decrease computation energy consumption. Two benchmarks are developed, the long short-term memory (LSTM)-based model without dimensionality reduction and the LSTM-based model with encoder-decoder (a widely used dimensionality reduction technique). Results show that the four predictions have similar accuracy, and the training time (proportional to computation energy consumption) of models with dimensionality reduction techniques is greatly reduced. The reduction is even more significant when PTA/PFA is used. Sensitivity analysis advises PFA/PTA parameter selections to reduce computation complexity without significant loss of prediction accuracy. Further, the robustness of the LSTM PTA/PFA is proven by the investigation of data noises.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Cryogenic Fourier spectrometer for measuring trace species in the lower stratosphere

A cryogenic Fourier transform spectrometer has been built to measure thermal emission of the earth's limb from a balloon-borne platform. Liquid nitrogen cooling of the spectrometer and liquid helium cooling of the detectors has provided sufficient sensitivity to detect, at 5-15 microns, fifteen molecular species relevant to stratospheric ozone chemistry. The spectral resolution achieved, 0.022/cm, is the best yet attained for emission mode data at these wavelengths. The philosophy behind the design of the optical and electronic systems is presented, followed by an analysis of the performance achieved during balloon flight.

Brasunas, John C.↗