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NASA NTRS1994

A feasibility study for long-path multiple detection using a neural network

Least-squares inverse filters have found widespread use in the deconvolution of seismograms and the removal of multiples. The use of least-squares prediction filters with prediction distances greater than unity leads to the method of predictive deconvolution which can be used for the removal of long path multiples. The predictive technique allows one to control the length of the desired output wavelet by control of the predictive distance, and hence to specify the desired degree of resolution. Events which are periodic within given repetition ranges can be attenuated selectively. The method is thus effective in the suppression of rather complex reverberation patterns. A back propagation(BP) neural network is constructed to perform the detection of first arrivals of the multiples and therefore aid in the more accurate determination of the predictive distance of the multiples. The neural detector is applied to synthetic reflection coefficients and synthetic seismic traces. The processing results show that the neural detector is accurate and should lead to an automated fast method for determining predictive distances across vast amounts of data such as seismic field records. The neural network system used in this study was the NASA Software Technology Branch's NETS system.

Feuerbacher, G. A.↗

NASA NTRS1998

New AFM Techniques for Investigating Molecular Growth Mechanisms of Protein Crystals

Atomic Force Microscopy (AFM) has emerged as a powerful technique for investigating protein crystal growth. Earlier AFM studies were among the first to demonstrate that these crystals grew by dislocation and 2D nucleation growth mechanisms [1]. These investigations were restricted to the micron range where only surface features, such as dislocation hillocks and 2D islands are visible. Most AFM instruments can scan at higher resolutions and have the potential to resolve individual protein molecules at nanometer ranges. Such scans are essential for determining the molecular packing arrangements on crystal faces and for probing the growth process at the molecular level. However, at this resolution the AFM tip influences the image produced, with the resulting image being a convolution of the tip shape and the surface morphology [2]. In most studies this problem is resolved by deconvoluting the image to obtain the true surface morphology. Although deconvolution routines work reasonably well for simple one- dimensional shapes, for complex surfaces this approach does not produce accurate results. In this study we devised a new approach which takes advantage of the precise molecular order of crystal surfaces, combined with the knowledge of individual molecular shapes from the crystallographic data of the protein and the AFM tip shape. This information is used to construct expected theoretical AFM images by convoluting the tip shape with the constructed crystal surface shape for a given surface packing arrangement. By comparing the images from actual AFM scans with the constructed ones for different possible surface packing arrangements, the correct packing arrangement can be conclusively determined. This approach was used in this study to determine the correct one from two possible packing arrangements on (I 10) faces of tetragonal lysozyme crystals. Another novel AFM technique was also devised to measure the dimension of individual growth units of the crystal faces. Measuring these units was not attempted before and most studies have assumed that the growth unit consisted of individual protein molecules. The linescan mode of AFM instruments allows the crystal surface to be scanned along a single line. By scanning across a growth step an image showing the motion of the step is obtained. Normally such an image shows a straight line for continuous and constant step velocity. In this study by increasing the scan rate and by decreasing the step velocity (by decreasing the supersaturation), we were able to capture images of individual growth events, shown by jump discontinuities in the step line. By suitable integration of the image the growth unit dimension in the scanned direction can be obtained. Since multiple units can be involved in the growth process it is necessary to collect a statistically relevant sample before drawing conclusions about the growth mechanism. This technique was successfully employed to obtain the dimensions of growth units for the (110) face, showing that they consisted of various aggregates corresponding to the 43 helices in the crystal structure.

Li, Huayu↗

NASA NTRS1997

Kinetic-Energy Distribution of D(2p) Atoms from Analysis of the D Lyman-Alpha Line Profile

The kinetic-energy distribution of D(2p) atoms resulting from electron-impact dissociation of D2 has been measured. A high-resolution vacuum ultraviolet spectrometer was employed for the first measurement of the D Lyman-alpha (D L(alpha)) emission line profiles at 20- and 100-eV excitation energies. Analysis of the deconvoluted line profile of D L(alpha) at 100 eV reveals the existence of a narrow line central peak of 29+/-2 mA full width at half maximum and a broad pedestal wing structure about 190 mA wide. The wings of the line can be used to determine the fast atom distribution. The wings of D L(alpha) arise from dissociative excitation of a series of doubly excited states that cross the Franck-Condon region between 23 and 40 eV. The fast atom distribution at 100-eV electron impact energy spans the energy range from 1 to 10 eV with a peak value near 6 eV. Slow D(2p) atoms characterized by a distribution function with peak energy near 100 meV produce the central peak profile, which is nearly independent of the impact energy. The deconvoluted line profiles of the central peak at 20 eV for dissociative excitation of D2 and H2 are fitted with an analytical function for use in calibration of space flight instrumentation equipped with a D/H absorption cell. The kinetic-energy and line profile results are compared to similar measurements for H2. The absolute cross sections for the line center (slow atoms) and wings (fast atoms) and total emission line profile were measured from threshold to 400 eV. Analytical model coefficients are given for the energy dependence of the measured slow atom cross section.

Ciocca, M.↗

NASA NTRS2000

Cylindrical Optic Polishing Dwell Time Optimization

The Constellation-X x-ray telescope consists of replicated grazing incidence optics. The polishing of the "master' mandrel is accomplished by moving a polishing tool along a helical path on the surface of this almost cylindrical surface. The measurement of the surface is, however, performed along "axial" scan lines which intercept this helical path. This approach to polishing and measuring permits a relatively simple scheme to be implemented for the determination of the optimal dwell times of the polishing tool. These optimal dwell times are determined by a deconvolution which approaches the problem as a linear programming problem and uses the simplex method. This approach maximizes the amount of material removed at any point subject to inequality constraints. The effects of using these "optimum" dwell times is to significantly improve the "tools" effectiveness at removing the higher spatial frequencies while staying (strictly) within the bounds and constraints imposed by the hardware. In addition the "ringing" at the edges of the optic, frequently present in deconvolution problems, is completely eliminated.

Waluschka, Eugene↗

NASA NTRS2000

Structure and Soot Properties of Nonbuoyant Ethylene/Air Laminar Jet Diffusion Flames

The structure and soot properties of round, soot-emitting, nonbuoyant, laminar jet diffusion flames are described, based on long-duration (175-230/s) experiments at microgravity carried out on orbit In the Space Shuttle Columbia. Experiments] conditions included ethylene-fueled flames burning in still air at nominal pressures of 50 and 100 kPa and an ambient temperature of 300 K with luminous Annie lengths of 49-64 mm. Measurements included luminous flame shapes using color video imaging, soot concentration (volume fraction) distributions using deconvoluted laser extinction imaging, soot temperature distributions using deconvoluted multiline emission imaging, gas temperature distributions at fuel-lean (plume) conditions using thermocouple probes, not structure distributions using thermophoretic sampling and analysis by transmission electron microscopy, and flame radiation using a radiometer. The present flames were larger, and emitted soot men readily, than comparable observed during ground-based microgravity experiments due to closer approach to steady conditions resulting from the longer test times and the reduced gravitational disturbances of the space-based experiments.

Urban, D. L.↗

NASA NTRS2001

Structure and Soot Properties of Nonbuoyant Ethylene/Air Laminar Jet Diffusion Flames

The structure and soot properties of round, soot-emitting, nonbuoyant, laminar jet diffusion flames are described, based on long-duration (175-230-s) experiments at microgravity carried out on orbit in the Space Shuttle Columbia. Experimental conditions included ethylene-fueled flames burning in still air at nominal pressures of 50 and 100 kPa and an ambient temperature of 300 K with luminous flame lengths of 49-64 mm Measurements included luminous flame shapes using color video imaging soot concentration (volume fraction) distributions using deconvoluted laser extinction imaging, soot temperature distributions using deconvoluted multiline emission imaging, gas temperature distributions at fuel-lean (plume) conditions using thermocouple probes, soot structure distributions using thermophoretic sampling and analysis by transmission electron microscopy, and flame radiation using a radiometer.The present flames were larger, and emitted soot more readily, than comparable flames observed during ground-based microgravity experiments due to closer approach to steady conditions resulting from the longer test times and the reduced gravitational disturbances of the space-based experiments.

Urban, D. L.↗

NASA NTRS2007

An Experimental Investigation of the Laminar Flamelet Concept for Soot Properties

The soot properties of round, nonbuoyant, laminar jet diffusion flames are described, based on experiments at microgravity carried out on orbit during three flights of the Space Shuttle Columbia, (Flights STS-83, 94 and 107). Experimental conditions included ethylene- and propane-fueled flames burning in still air at an ambient temperature of 300 K and ambient pressures of 35-100 kPa. Measurements included soot volume fraction distributions using deconvoluted laser extinction imaging, and soot temperature distributions using deconvoluted multiline emission imaging. Flowfield modeling based on the work of Spalding is presented. The present work explores whether soot properties of these flames are universal functions of mixture fraction, i.e., whether they satisfy soot state relationships. Measurements are presented, including radiative emissions and distributions of soot temperature and soot volume fraction. It is shown that most of the volume of these flames is bounded by the dividing streamline and thus should follow residence time state relationships. Most streamlines from the fuel supply to the surroundings are found to exhibit nearly the same maximum soot volume fraction and temperature. The radiation intensity along internal streamlines also is found to have relatively uniform values. Finally, soot state relationships were observed, i.e., soot volume fraction was found to correlate with estimated mixture fraction for each fuel/pressure selection. These results support the existence of soot property state relationships for steady nonbuoyant laminar diffusion flames, and thus in a large class of practical turbulent diffusion flames through the application of the laminar flamelet concept.

Diez, F. J.↗

NASA NTRS2008

Platform for Postprocessing Waveform-Based NDE

Taking advantage of the similarities that exist among all waveform-based non-destructive evaluation (NDE) methods, a common software platform has been developed containing multiple- signal and image-processing techniques for waveforms and images. The NASA NDE Signal and Image Processing software has been developed using the latest versions of LabVIEW, and its associated Advanced Signal Processing and Vision Toolkits. The software is useable on a PC with Windows XP and Windows Vista. The software has been designed with a commercial grade interface in which two main windows, Waveform Window and Image Window, are displayed if the user chooses a waveform file to display. Within these two main windows, most actions are chosen through logically conceived run-time menus. The Waveform Window has plots for both the raw time-domain waves and their frequency- domain transformations (fast Fourier transform and power spectral density). The Image Window shows the C-scan image formed from information of the time-domain waveform (such as peak amplitude) or its frequency-domain transformation at each scan location. The user also has the ability to open an image, or series of images, or a simple set of X-Y paired data set in text format. Each of the Waveform and Image Windows contains menus from which to perform many user actions. An option exists to use raw waves obtained directly from scan, or waves after deconvolution if system wave response is provided. Two types of deconvolution, time-based subtraction or inverse-filter, can be performed to arrive at a deconvolved wave set. Additionally, the menu on the Waveform Window allows preprocessing of waveforms prior to image formation, scaling and display of waveforms, formation of different types of images (including non-standard types such as velocity), gating of portions of waves prior to image formation, and several other miscellaneous and specialized operations. The menu available on the Image Window allows many further image processing and analysis operations, some of which are found in commercially-available image-processing software programs (such as Adobe Photoshop), and some that are not (removing outliers, Bscan information, region-of-interest analysis, line profiles, and precision feature measurements).

Roth, Don↗

NASA NTRS2000

Cylindrical Optic Figuring and Dwell Time Optimization

Grazing incidence x-ray telescopes consist of surfaces which are nearly cylindrical in shape. The abrasive figuring of these surfaces is accomplished by moving a grinding tool along a helical path on this almost cylindrical surface. The measurement of the surface is, however, performed along "axial" scan lines which intercept this helical path. This approach to figuring and measuring permits a relatively simple scheme to be implemented for the determination of the optimal dwell times of the figuring tool. These optimal dwell times are determined by a deconvolution which approaches the problem in a linear programming context and uses the Simplex Method. The approach maximizes the amount of material removed at any point subject to inequality constraints. The effect of using these ''optimum" dwell times is to significantly improve the tools effectiveness at removing the higher spatial frequencies while staying (strictly) within the bounds and constraints imposed by the hardware. In addition, the ringing at the edges of the optic, frequently present in deconvolution problems, is completely eliminated.

Waluschka, Eugene↗

NASA NTRS2011

A Background Noise Reduction Technique Using Adaptive Noise Cancellation for Microphone Arrays

Background noise in wind tunnel environments poses a challenge to acoustic measurements due to possible low or negative Signal to Noise Ratios (SNRs) present in the testing environment. This paper overviews the application of time domain Adaptive Noise Cancellation (ANC) to microphone array signals with an intended application of background noise reduction in wind tunnels. An experiment was conducted to simulate background noise from a wind tunnel circuit measured by an out-of-flow microphone array in the tunnel test section. A reference microphone was used to acquire a background noise signal which interfered with the desired primary noise source signal at the array. The technique s efficacy was investigated using frequency spectra from the array microphones, array beamforming of the point source region, and subsequent deconvolution using the Deconvolution Approach for the Mapping of Acoustic Sources (DAMAS) algorithm. Comparisons were made with the conventional techniques for improving SNR of spectral and Cross-Spectral Matrix subtraction. The method was seen to recover the primary signal level in SNRs as low as -29 dB and outperform the conventional methods. A second processing approach using the center array microphone as the noise reference was investigated for more general applicability of the ANC technique. It outperformed the conventional methods at the -29 dB SNR but yielded less accurate results when coherence over the array dropped. This approach could possibly improve conventional testing methodology but must be investigated further under more realistic testing conditions.

Spalt, Taylor B.↗

NASA NTRS2012

Iterative Transform Phase Diversity: An Image-Based Object and Wavefront Recovery

The Iterative Transform Phase Diversity algorithm is designed to solve the problem of recovering the wavefront in the exit pupil of an optical system and the object being imaged. This algorithm builds upon the robust convergence capability of Variable Sampling Mapping (VSM), in combination with the known success of various deconvolution algorithms. VSM is an alternative method for enforcing the amplitude constraints of a Misell-Gerchberg-Saxton (MGS) algorithm. When provided the object and additional optical parameters, VSM can accurately recover the exit pupil wavefront. By combining VSM and deconvolution, one is able to simultaneously recover the wavefront and the object.

Smith, Jeffrey↗

NASA NTRS2019

Decomposition of Electron Ionization Mass Spectra for Space Application Using a Monte-Carlo approach

Rationale: Quadrupole mass spectrometers equipped with an electron ionization (EI) sources have been widely used in space exploration to investigate the composition of planetary surfaces and atmospheres. However, the complexity of the samples and the minimal calibration for the fragmentation of molecules in the ionization chambers have prevented the deconvolution of the majority of the mass spectra obtained at different targets, thus limiting the determination of the exact composition of the samples analyzed. We propose a Monte‐Carlo approach to solve this issue mathematically. Methods: We decomposed simulated mass spectra of mixtures acquired with unit resolving power mass spectrometers and EI sources into the sum of the single components fragmentation patterns weighted by their relative concentration using interior‐point least‐square fitting. To fit compounds with poorly known fragmentation patterns, we used a Monte‐Carlo method to vary the intensity of individual fragment ions. We then decomposed the spectrum thousands of times to obtain a statistical distribution. Results: By performing the deconvolution on a mixture of seven different molecules with interfering fragmentation patterns (H2O, O2, CH4, Ar, N2, C2H4, and C2H6) we show that this approach retrieves the mixing ratio of the individual components more accurately than regular mass spectra decomposition methods that rely on fragmentation patterns from general databases. It also provides the probability density function for each species's mixing ratio. Conclusions: By removing the solution degeneracy in the decomposition of mass spectra, the method described herein could significantly increase the scientific retrieval from archived space flight mass spectrometry data, where calibration of the ionization source is no longer an option.

Thomas Gautier↗

NASA NTRSDate not supplied

Characterization of Novel Spacecraft Materials aboard the Materials International Space Station Experiment-Flight Facility (Preliminary Results)

This work will encompass the preflight characterization of 15 novel and heritage materials currently under observation on the Materials International Space Station Experiment-Flight Facility (MISSE-FF). MISSE-FF has been upgraded to perform active reflectance measurements of the materials. Images taken in RGB/IR colors are compared to results from an extensive ground testing campaign to obtain quantitative on-orbit material evolution data. Identical materials samples are to be flown on the ram, wake, and zenith faces of MISSE-FF, enabling deconvolution of the energetic electron, proton, atomic oxygen, and ultraviolet damage pathways. Energy deposition from the space environment leads to chemical changes in the material that in turn alter the optical properties. The same chemical damage that manifests as changes in optical reflectance and absorptance also leads to changes in myriad physical properties such as mechanical strength, electrical conductivity, and chemical reactivity. Therefore, flight materials are able to be characterized based on their unique reflectance spectra by comparing on-orbit measurements of optical reflectance with extensive terrestrial experiments, which help to correlate changes in reflectance with respect to changes in other material properties. The MISSE program has been a part of the International Space Station National Laboratory for many years and has been instrumental in understanding space weather modification of material properties. However, MISSE-FF has been limited to passive experiments with only pre/post flight material studies possible. In advance of the MISSE-16 experiment, the flight facility has received a major upgrade to provide daily spectral observations by way of a RGB/IR camera and a tunable light source. The MISSE-16 mission launched in February 2022 and carries 15 material samples for 6 months of the low Earth orbital exposure. Identical materials samples are to be flown on the ram, wake, and zenith faces of MISSE-FF, enabling deconvolution of the energetic electron, proton, atomic oxygen, and ultraviolet damage pathways. This paper discusses the MISSE-16 experiment, highlights the first use of the facility upgrades, and presents results from the extensive preflight material characterization that includes directional hemispherical reflectance, bidirectional reflectance, AFM, SEM, and electrical conductivity. Additionally, data showing the modification of these properties by ground-based exposure to space-like electron and atomic oxygen flux will be discussed. Finally, updates on deployment and initial check-out of the experiment on MISSE-FF will be presented. It is the ultimate goal of this program to provide validation for the development of ground based space weather simulation facilities and techniques.

Ryan Hoffman↗

DOE OSTI2025

Regularizing the linearly extrapolated BDF2 scheme for incompressible flows with time relaxation

This paper presents a highly-efficient finite element scheme for the time relaxation model (TRM). The efficiency is achieved through the second-order BDF2 time-stepping scheme with linear extrapolation (BDF2LE). The accuracy of the scheme is also greatly enhanced through the use of the divergence-free Scott-Vogeulis finite elements, and van Cittert approximate deconvolution. A complete finite element analysis is provided, which includes rigorous proofs for the stability, well-possessedness, and convergence of both velocity and pressure solutions. Furthermore, we also demonstrate that the inclusion of the linear time relaxation term preserves the long-time stability of the unregularized BDF2LE scheme. Finally, numerical experiments are presented that demonstrate the added stability and accuracy that time relaxation can provide.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2017

Subspace-based Background Subtraction Applied to Aeroacoustic Wind Tunnel Testing

A subspace-based form of background subtraction is presented and applied to aeroacoustic wind tunnel data. A variant of this method has seen use in other fields such as climatology and medical imaging. The technique is based on an eigenvalue decomposition of the background noise cross-spectral matrix. Simulated results indicate similar performance to conventional background subtraction when the subtracted spectra are weaker than the true contaminating background levels. Superior performance is observed when the subtracted spectra are stronger than the true contaminating background levels, and when background data do not match between measurements. Experimental results show limited success in recovering signal behavior for data in which conventional background subtraction fails. The results also demonstrate the subspace subtraction technique's ability to maintain a physical coherence relationship in the modified cross-spectral matrix. Deconvolution results from microphone phased array data indicate that array integration methods are largely insensitive to subtraction type, and that background subtraction with appropriate background data is an effective alternative to diagonal removal.

deconvolution↗

DOE OSTI2024

Formation and Detriments of Residual Alkaline Compounds on High-Nickel Layered Oxide Cathodes

High-nickel layered oxides LiNi x M 1-x O 2 (x ≥ 0.9) have emerged as promising cathode materials for automotive batteries due to their high energy density and lower cost. However, the formation and accumulation of surface alkaline compounds during storage hinder their mass production and commercialization. Here, in this study, a validated chemical method is employed to deconvolute and quantify the evolution of each residual lithium compound in four representative cathodes during ambient-air storage, viz., LiNiO 2 (LNO), LiNi 0.95 Co 0.05 O 2 (NC), LiNi 0.95 Mn 0.05 O 2 (NM), and LiNi 0.95 Al 0.05 O 2 (NA). Furthermore, the activation energy of the reaction between water and the cathode is determined by measuring the leached LiOH concentration at various temperatures. While residual lithium and time-of-flight secondary-ion mass spectrometry measurements collectively reveal that the air stability overall follows the trend of NM > NA ≈ NC > LNO, the aged NM exhibits the highest charge-transfer resistance and the worst electrochemical performance among the cathodes. In situ, X-ray diffraction and scanning transmission electron microscopy unveil that the aged NM is plagued by a large area of resistive spinel-like M 3–x Li x O 4 phases, leading to aggravated particle reaction heterogeneity. Finally, a one-step recalcination method is demonstrated effective in fully restoring the degraded cathodes. This work provides insights into overcoming air sensitivity issues of high-Ni cathodes.

(S)TEM↗

DOE OSTI2025

Kinetically Dormant Ni‐Rich Layered Cathode During High‐Voltage Operation

Abstract The degradation of Ni‐rich cathodes during long‐term operation at high voltage has garnered significant attention from both academia and industry. Despite many post‐mortem qualitative structural analyses, precise quantification of their individual and coupling contributions to the overall capacity degradation remains challenging. Here, by leveraging multiscale synchrotron X‐ray probes, electron microscopy, and post‐galvanostatic intermittent titration technique, the thermodynamically irreversible and kinetically reversible capacity loss is successfully deconvoluted in a polycrystalline LiNi 0.83 Mn 0.1 Co 0.07 O 2 cathode during long‐term charge/discharge cycling in full cell configuration. Contradicting the dramatic capacity loss, the layered structure remains highly alive even after 1000 cycles at 4.6 V while undergoing a three‐order of magnitude reduction in the mass transfer kinetics, leading to almost fully recoverable capacity under kinetic‐free conditions. Such kinetic dormant behavior after cycling is not simply ascribed to poor chemical diffusion by reconstructed cathode surface but highly synchronizes with the lattice strain evolution stemming from the structural heterogeneity between deeply delithiated layered and degraded rock‐salt phases at high voltage. These findings deepen the degradation mechanism of high‐voltage cathodes to achieve long‐cycling and fast‐charging performance.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Propane Activation on Pt Electrodes at Room Temperature: Quantification of Adsorbate Identity and Coverage

Abstract C−H bond activation is the first step in manufacturing chemical products from readily available light alkane feedstock and typically proceeds via carbon‐intensive thermal processes. The ongoing emphasis on decarbonization via electrification motivates low‐temperature electrochemical alternatives that could lead to sustainable chemicals production. Platinum (Pt) electrocatalysts have shown activity towards reacting alkanes; however, little is known about propane electrocatalytic activation and conditions suitable for enabling selective oxidation to valuable products. Herein, we utilize a combination of electrochemical mass spectrometry (ECMS) and density functional theory (DFT) calculations to elucidate the potential dependence of propane activation on Pt electrocatalysts. Results show a strong dependence of adsorption on the applied potential in room‐temperature aqueous acidic electrolyte, with a maximum coverage of propane‐derived adsorbates at 0.30 V vs RHE. Using charge deconvolution and deuterated experiments, the mechanism of adsorption was elucidated, and C 3 H 2 * was determined as the average dehydrogenated propane‐derived adsorbate species. DFT calculations further corroborate these results, showing that the formation of deeply dehydrogenated species is energetically accessible at room temperature. The combined theoretical and experimental findings yield insights for selective activation of paraffinic C−H bonds at room temperature, aqueous conditions—a critical step towards decarbonized chemical manufacturing.

Chemistry↗