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DOE OSTI2014

Discovery of New Oxygen Evolution Reaction Electrocatalysts by Combinatorial Investigation of the Ni-La-Co-Ce Oxide Composition Space

We report a new family of earth abundant electrocatalysts for the oxygen evolution reaction (OER) discovered via high throughput screening of 1771 discrete metal oxide compositions covering the nickel-lanthanum-cobalt-cerium composition space. The catalytic performance of each of these compositions was measured under conditions applicable to distributed solar fuels generation using a three-electrode scanning drop electrochemical cell. These high throughput measurements show enhanced activity for catalyst compositions containing 20-65 metal atom % Ce. The catalytic activity and stability of a representative highly active composition (Ni 0.1 La 0.1 Co 0.3 Ce 0.5 )O x was verified by standard rotating disc electrochemistry. Catalysts of this composition showed stable operational performance at 10 mA cm -2 for 2 h and survived a 100 h endurance test in a testbed electrolyzer.

10 SYNTHETIC FUELS↗

NASA NTRS2019

Applicability of Spectral Decomposition by Varimax-Rotated, Principal Component Analysis to the Surface Biology and Geology (SBG) VNIR Mission Concept

Cyanobacterial and Harmful Algal Blooms (CyanoHABs) are a growing concern in coastal and inland waters. But, spectral interference from multiple constituents in optically complex waters can hamper application of remote sensing using traditional image processing methods. The Kent State University (KSU) spectral decomposition method can be applied to multispectral and hyperspectral remote sensing images (e.g. HICO and the NASA Glenn HSI2) to partition and identify signals related to cyanobacteria, algae, pigment degradation products and suspended sediment in each pixel. Fundamental to the use of remote sensing data is the ability to extract independent signals from correlated hyperspectral VNIR data cubes. The Kent State University varimax-rotated, principal component analysis method (VPCA) is important to integrate into the SBG VNIR mission concept because it provides greater specificity, a software-based SNR boost relative to hardware performance, and can assist with Cal/Val, Modeling and Applications. We present examples of the hyperspectral application of the KSU VPCA method with relevance to SBG. The information extracted by VPCA can be validated spectrally or spatially with laboratory and/or in situ sensors, which capture spatial or time series of information at discrete points within remote sensing images. Comparisons show hyperspectral sensors extract more components than multispectral ones, but more independent information can be extracted from multispectral sensors by VPCA than traditional band ratio approaches. The spectral decomposition method is capable of enhancing the signal to noise ratio (SNR) of the NASA Glenn, second-generation hyperspectral imager by a factor of 7x to 20x, with a spectral reproducibility of ±3%. The spectral decomposition method, when compared against existing remote sensing monitoring methods exhibits both greater specificity and a lower detection limit. The method has been validated with multispectral images in Lake Erie to quantify the Microcystis CyanoHAB and from the Indian River Lagoon, Florida to quantify the Brown Tide resulting from A. lagunesnsis. Field operations in the Western Basin of Lake Erie were conducted using a bbe Fluoroprobe to collect vertical profiles and horizontal tows along a transect from the Toledo to the Detroit Lighthouse during coincident satellite overpasses. Extraction of pixel values from the MODIS Aqua sensor yields agreement between in situ field and lab-based measures of cyanobacterial, cryptophyte, diatoms and green algae, suspended sediment and pigment degradation products with R2>0.8.

hyperspectral↗

DOE OSTI2013

Bloch surface eigenstates within the radiation continuum

From detailed numerical calculations, we demonstrate that in simple photonic crystal structures, a discrete number of Bloch surface-localized eigenstates can exist inside the continuum of free-space modes. Coupling to the free space causes the surface modes to leak, but the forward and back-reflected leakage may interfere destructively to create a perfectly bound surface state with zero leakage. We perform analytical temporal coupled-mode theory analysis to show the generality of such phenomenon and its robustness from variations of system parameters. Periodicity, time-reversal invariance, two-fold rotational symmetry and a perfectly reflecting boundary are necessary for these unique states.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2014

Stark broadening for diagnostics of the electron density in non-equilibrium plasma utilizing isotope hydrogen alpha lines

Two Stark broadening parameters including FWHM (full width at half maximum) and FWHA (full width at half area) of isotope hydrogen alpha lines are simultaneously introduced to determine the electron density of a pulsed vacuum arc jet. To estimate the gas temperature, the rotational temperature of the C{sub 2} Swan system is fit to 2500 ± 100 K. A modified Boltzmann-plot method with b{sub i}-factor is introduced to determine the modified electron temperature. The comparison between results of atomic and ionic lines indicates the jet is in partial local thermodynamic equilibrium and the electron temperature is close to 13 000 ± 400 K. Based on the computational results of Gig-Card calculation, a simple and precise interpolation algorithm for the discrete-points tables can be constructed to obtain the traditional n{sub e}-T{sub e} diagnostic maps of two Stark broadening parameters. The results from FWHA formula by the direct use of FWHM = FWHA and these from the diagnostic map are different. It can be attributed to the imprecise FWHA formula form and the deviation between FWHM and FWHA. The variation of the reduced mass pair due to the non-equilibrium effect contributes to the difference of the results derived from two hydrogen isotope alpha lines. Based on the Stark broadening analysis in this work, a corrected method is set up to determine n{sub e} of (1.10 ± 0.08) × 10{sup 21} m{sup −3}, the reference reduced mass μ{sub 0} pair of (3.30 ± 0.82 and 1.65 ± 0.41), and the ion kinetic temperature of 7900 ± 1800 K.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1987

Optical scanner

An optical scanner for imaging lines in an object plane onto a linear array in a focal plane either continuously or discretely is described. The scanner consists of a set of four mutually perpendicularly oriented plane corner mirrors which provide a reflecting path that describes a parallelogram. In addition, there is a plane parallel scanning mirror with a front and back reflecting surface located midway between the first and fourth corner mirrors. It is oriented so that in the mid-scan position it is parallel to the first corner mirror, and therefore perpendicular to the fourth corner mirror. As the scan mirror rotates, rays incident from a plurality of lines in the object plane are selectively directed through the optical system arriving at a common intersection on the back surface of the scanning mirror where the rays are colinearly directed toward a lens and then imaged onto the linear array in the focal plane. A set of compensating mirrors may be introduced just before the imaging lens to compensate for a small and generally negligible path difference delta sub l between the axial and marginal rays.

Finkel, Mitchell W.↗

NASA NTRS1978

Compressor and fan wake characteristics

A triaxial probe and a rotating conventional probe, mounted on a traverse gear operated by two step motors were used to measure the mean velocities and turbulence quantities across a rotor wake at various radial locations and downstream stations. The data obtained was used in an analytical model developed to study how rotor flow and blade parameters and turbulence properties such as energy, velocity correlations, and length scale affect the rotor wake characteristics and its diffusion properties. The model, includes three dimensional attributes, can be used in predicting the discrete as well as broadband noise generated in a fan rotor, as well as in evaluating the aerodynamic losses, efficiency and optimum spacing between a rotor and stator in turbomachinery.

Reynolds, B.↗

NASA NTRS1986

A mixed pseudospectral/finite difference method for the axisymmetric flow in a heated, rotating spherical shell

For a Spacelab flight, a model experiment of the earth's atmospheric circulation has been proposed. This experiment is known as the Atmospheric General Circulation Experiment (AGCE). In the experiment concentric spheres will rotate as a solid body, while a dielectric fluid is confined in a portion of the gap between the spheres. A zero gravity environment will be required in the context of the simulation of the gravitational body force on the atmosphere. The present study is concerned with the development of pseudospectral/finite difference (PS/FD) model and its subsequent application to physical cases relevant to the AGCE. The model is based on a hybrid scheme involving a pseudospectral latitudinal formulation, and finite difference radial and time discretization. The advantages of the use of the hybrid PS/FD method compared to a pure second-order accurate finite difference (FD) method are discussed, taking into account the higher accuracy and efficiency of the PS/FD method.

Macaraeg, M. G.↗

DOE OSTI2026

Electrospinning of ultra-high molecular weight polymers into aligned nanofibers and their application in chemical separations

Ultra-high molecular weight (UHMW, >10 6 g mol −1 ) vinyl polymers are increasingly accessible through photoiniferter polymerization, yet their behavior in electrospinning has received comparatively little attention. Here, we explore the electrospinning of UHMW poly(methyl acrylate), poly(methyl methacrylate), poly(N,N-dimethylacrylamide), and poly(styrene-co-pentafluorostyrene) synthesized by photoiniferter polymerization, with number-average molecular weights (M n ) greater than 1000 kDa and dispersities below 1.4. UHMW polymers form stable Taylor cones and discrete fibers at solution concentrations as low as 0.5 wt% due to their large number of entanglements, a threshold unachievable with low molecular weight (M n = 20–54 kDa) polymers of the same chemistry. Using poly(methyl methacrylate) and poly(styrene-co-pentafluorostyrene) as model systems, we demonstrate that fiber diameter can be tuned from 350 nm to 20 μm through systematic variation of polymer concentration (0.01 to 4 wt%) and flow rate (0.5 to 10 mL h −1 ). Additionally, we find that collector rotation rate governs fiber alignment, with highly aligned mats obtained with drum rotation speeds of 1000 RPM. Reversing the polarity of the electric field during electrospinning reorients the surface chemistry of these fiber mats without altering their microscale morphology, shifting the water contact angle by 7° (89° to 96°) and providing a two-fold binding capacity enhancement in cationic dye uptake. These results show that the high entanglement densities of UHMW vinyl polymers shift the accessible electrospinning window to dilute solutions and that electric-field polarity is a useful lever to control the surface chemistry in the resulting fibers.

Marquez, Joshua D. [University of Florida, Gainesv↗

NASA NTRS1991

Control and dynamics of a flexible spacecraft during stationkeeping maneuvers

A case study of a spacecraft having flexible solar arrays is presented. A stationkeeping attitude control mode using both earth and rate gyro reference signals and a flexible vehicle dynamics modeling and implementation is discussed. The control system is designed to achieve both pointing accuracy and structural mode stability during stationkeeping maneuvers. Reduction of structural mode interactions over the entire mode duration is presented. The control mode using a discrete time observer structure is described to show the convergence of the spacecraft attitude transients during Delta-V thrusting maneuvers without preloading thrusting bias to the onboard control processor. The simulation performance using the three axis, body stabilized nonlinear dynamics is provided. The details of a five body dynamics model are discussed. The spacecraft is modeled as a central rigid body having cantilevered flexible antennas, a pair of flexible articulated solar arrays, and to gimballed momentum wheels. The vehicle is free to undergo unrestricted rotations and translations relative to inertial space. A direct implementation of the equations of motion is compared to an indirect implementation that uses a symbolic manipulation software to generate rigid body equations.

Liu, D.↗

NASA NTRS2002

The Winds of B Supergiants

We present the most suitable data sets available in the International Ultraviolet Explorer (IUE) archive for the study of time-dependent stellar winds in early B supergiants. The UV line profile variability in 11 B0 to B3 stars is analyzed, compared and discussed, based on 16 separate data sets comprising over 600 homogeneously reduced high-resolution spectrograms. The targets include 'normal' stars with moderate rotation rates and examples of rapid rotators. A gallery of grey-scale images (dynamic spectra) is presented, which demonstrates the richness and range of wind variability and highlights different structures in the winds of these stars. This work emphasizes the suitability of B supergiants for wind studies, under-pinned by the fact that they exhibit unsaturated wind lines for a wide range of ionization. The wind activity of B supergiants is substantial and has highly varied characteristics. The variability evident in individual stars is classified and described in terms of discrete absorption components, spontaneous absorption, bowed structures, recurrence, and ionization variability and stratification. Similar structures can occur in stars of different fundamental parameters but also different structures may occur in the same star at a given epoch. We discuss the physical phenomena that may be associated with the spectral signatures, and highlight the challenges that these phenomena present to theoretical studies of time-dependent outflows in massive stars. In addition, SEI line-synthesis modelling of the UV wind lines is used to provide further information about the state of the winds in our program stars. Typically the range, implied by the line profile variability, in the product of mass-loss rate and ion fraction (M qi) is a factor of approximately 1.5, when integrated between 0.2 and 0.9 v infinity; it it can however be several times larger over localized velocity regions. At a given effective temperature the mean relative ion ratios can differ by a factor of 5. The general excess in predicted (forward-scattered) emission in the low velocity regime is discussed in turns of structured outflows. Mean ion fractions are estimated over the B0 to B1 spectral classes, and trends in the ionic ratios as a function of wind velocity are described. The low values obtained for the ion fractions of UV resonance lines may reflect the role of clumping in the wind.

Massa, Derck↗

NASA NTRS2002

The Winds of B Supergiants

We present the most suitable data sets available in the International Ultraviolet Explorer (IUE) archive for the study of time-dependent stellar winds in early B supergiants. The UV line profile variability in 11 B0 to B3 stars is analyzed, compared and discussed, based on 16 separate data sets comprising over 600 homogeneously reduced high-resolution spectrograms. The targets include 'normal' stars with moderate rotation rates and examples of rapid rotators. A gallery of grey-scale images (dynamic spectra) is presented, which demonstrates the richness and range of wind variability and highlights different structures in the winds of these stars. This work emphasises the suitability of B supergiants for wind studies, under-pinned by the fact that they exhibit unsaturated wind lines for a wide range of ionization. The wind activity of B supergiants is substantial and has highly varied characteristics. The variability evident in individual stars is classified and described in terms of discrete absorption components, spontaneous absorption, bowed structures, recurrence, and ionization variability and stratification. Similar structures can occur in stars of different fundamental parameters, but also different structures may occur in the same star at a given epoch. We discuss the physical phenomena that may be associated with the spectral signatures, and highlight the challenges that these phenomena present to theoretical studies of time-dependent outflows in massive stars. In addition, SEI line-synthesis modelling of the UV wind lines is used to provide further information about the state of the winds in our program stars. Typically the range, implied by the line profile variability, in the product of mass-loss rate and ion fraction (M (dot) q(sub i)) is a factor of approximately 1.5, when integrated between 0.2 and 0.9 v infinity; it can however be several times larger over localized velocity regions. At a given effective temperature the mean relative ion ratios can differ by a factor of 5. The general excess in predicted (forward-scattered) emission in the low velocity regime is discussed in terms of structured outflows. Mean ion fractions are estimated over the B0 to B1 spectral classes, and trends in the ionic ratios as a function of wind velocity are described. The low values obtained for the ion fractions of UV resonance lines may reflect the role of clumping in the wind.

Massa, D.↗

DOE OSTI2013

Coherent structure in solar wind C{sup 6+}/C{sup 4+} ionic composition data during the quiet-sun conditions of 2008

This analysis offers evidence of characteristic scale sizes in solar wind charge state data measured in situ for 13 quiet-Sun Carrington rotations in 2008. Using a previously established novel methodology, we analyze the wavelet power spectrum of the charge state ratio C{sup 6+}/C{sup 4+} measured in situ by ACE/SWICS for 2 hr and 12 minute cadence. We construct a statistical significance level in the wavelet power spectrum to quantify the interference effects arising from filling missing data in the time series, allowing extraction of significant power from the measured data to a resolution of 24 minutes. We analyze each wavelet power spectrum for transient coherency and global periodicities resulting from the superposition of repeating coherent structures. From the significant wavelet power spectra, we find evidence for a general upper limit on individual transient coherency of ∼10 days. We find evidence for a set of global periodicities between 4-5 hr and 35-45 days. We find evidence for the distribution of individual transient coherency scales consisting of two distinct populations. Below the ∼2 day timescale, the distribution is reasonably approximated by an inverse power law, whereas for scales ≳2 days, the distribution levels off, showing discrete peaks at common coherency scales. In addition, by organizing the transient coherency scale distributions by wind type, we find that these larger, common coherency scales are more prevalent and well defined in coronal hole wind. Finally, we discuss the implications of our results for current theories of solar wind generation and describe future work for determining the relationship between the coherent structures in our ionic composition data and the structure of the coronal magnetic field.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS2004

Evaluation of a Multi-Parameter Sensor for Automated, Continuous Cell Culture Monitoring in Bioreactors

Compact and automated sensors are desired for assessing the health of cell cultures in biotechnology experiments in microgravity. Measurement of cell culture medium allows for the optirn.jzation of culture conditions on orbit to maximize cell growth and minimize unnecessary exchange of medium. While several discrete sensors exist to measure culture health, a multi-parameter sensor would simplify the experimental apparatus. One such sensor, the Paratrend 7, consists of three optical fibers for measuring pH, dissolved oxygen (p02), dissolved carbon dioxide (pC02) , and a thermocouple to measure temperature. The sensor bundle was designed for intra-arterial placement in clinical patients, and potentially can be used in NASA's Space Shuttle and International Space Station biotechnology program bioreactors. Methods: A Paratrend 7 sensor was placed at the outlet of a rotating-wall perfused vessel bioreactor system inoculated with BHK-21 (baby hamster kidney) cells. Cell culture medium (GTSF-2, composed of 40% minimum essential medium, 60% L-15 Leibovitz medium) was manually measured using a bench top blood gas analyzer (BGA, Ciba-Corning). Results: A Paratrend 7 sensor was used over a long-term (>120 day) cell culture experiment. The sensor was able to track changes in cell medium pH, p02, and pC02 due to the consumption of nutrients by the BHK-21. When compared to manually obtained BGA measurements, the sensor had good agreement for pH, p02, and pC02 with bias [and precision] of 0.02 [0.15], 1 mm Hg [18 mm Hg], and -4.0 mm Hg [8.0 mm Hg] respectively. The Paratrend oxygen sensor was recalibrated (offset) periodically due to drift. The bias for the raw (no offset or recalibration) oxygen measurements was 42 mm Hg [38 mm Hg]. The measured response (rise) time of the sensor was 20 +/- 4s for pH, 81 +/- 53s for pC02, 51 +/- 20s for p02. For long-term cell culture measurements, these response times are more than adequate. Based on these findings , the Paratrend sensor could offer automated, continuous monitoring of cell cultures with a temporal resolution of 1 minute, which is not attainable by sampling via handheld blood analyzer (i-STAT). Conclusion: The resulting bias and precision found in these cell culture-based studies is comparable to Paratrend sensor clinical results. Although the large error in p02 measurements (+/-18 mm Hg) may be acceptable for clinical applications, where Paratrend values are periodically adjusted to a BGA measurement, the O2 sensor in this bundle may not be reliable enough for the single-calibration requirement of sensors used in NASA's bioreactors. The pH and pC02 sensors in the bundle are reliable and stable over the measurement period, and can be used without recalibration to measure cell cultures in rn.jcrogravity biotechnology experiments. Future work will test additional Paratrend sensors to provide statistical assessment of sensor performance.

Pappas, D.↗

DOE OSTI2019

Model Structural Inference Using Local Dynamic Operators

This paper focuses on the problem of quantifying the effects of model-structure uncertainty in the context of time-evolving dynamical systems. This is motivated by multi-model uncertainty in computer physics simulations: developers often make different modeling choices in numerical approximations and process simplifications, leading to different numerical codes that ostensibly represent the same underlying dynamics. We consider model-structure inference as a two-step methodology: the first step is to perform system identification on numerical codes for which it is possible to observe the full state; the second step is structural uncertainty quantification, in which the goal is to search candidate models "close" to the numerical code surrogates for those that best match a quantity of interest (QOI) from some empirical data sets. Here, we (1) define a discrete, local representation of the structure of a partial differential equation, which we refer to as the "local dynamical operator" (LDO); (2) identify model structure nonintrusively from numerical code output; (3) nonintrusively construct a reduced-order model (ROM) of the numerical model through POD-DEIM-Galerkin projection; (4) perturb the ROM dynamics to approximate the behavior of alternate model structures; and (5) apply Bayesian inference and energy conservation laws to calibrate a LDO to a given QOI. We demonstrate these techniques using the two-dimensional rotating shallow water equations as an example system.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1990

Vibration transmission through rolling element bearings in geared rotor systems

A new mathematical model is proposed to examine the vibration transmission through rolling element bearings in geared rotor systems. Current bearing models, based on either ideal boundary conditions for the shaft or purely translational stiffness element description, cannot explain how the vibratory motion may be transmitted from the rotating shaft to the casing. Experimental results have shown that the casing plate motion is primarily flexural. Here, this issue is clarified qualitatively and quantitatively by developing a comprehensive bearing stiffness matrix of dimension 6 to model precision rolling element bearings using basic principles. The proposed bearing stiffness matrix is partially verified using available analytical and experimental data, and is completely characterized. The study extends the proposed bearing formulation to analyze the overall geared rotor system dynamics including casing and mounts. The bearing stiffness matrix is included in discrete system models using lumped parameter and/or dynamic finite element techniques.

Singh, Rajendra↗

NASA NTRS1975

Quantization and symmetry in periodic coverage patterns with applications to earth observation

Analytical approaches based on an idealized physical model and concepts from number theory show that in periodic coverage patterns, uniquely defined by their revolution numbers R (orbital) and N (rotational), the subnodal points are earth-fixed, and they divide the equator into R equal segments of length s. The ascending subsatellite trace crosses each point once (only) each period. The descending subnodal points coincide with the ascending points if the integers N and R have like parity, and bisect the intervals between them if opposite. The interval between consecutive unidirectional crossings is Ns. Symmetries extend the equatorial results to all parallels of latitude. Complete periodic patterns of traces exhibit an overall symmetry, with trace intersections confined to discrete coordinate values which are quantized in longitude (basic s-unit) and symmetric in latitude.

King, J. C.↗

NASA NTRS1995

Load transfer in the stiffener-to-skin joints of a pressurized fuselage

Structural analyses are developed to determine the linear elastic and the geometrically nonlinear elastic response of an internally pressurized, orthogonally stiffened, composite material cylindrical shell. The configuration is a long circular cylindrical shell stiffened on the inside by a regular arrangement of identical stringers and identical rings. Periodicity permits the analysis of a unit cell model consisting of a portion of the shell wall centered over one stringer-ring joint. The stringer-ring-shell joint is modeled in an idealized manner; the stiffeners are mathematically permitted to pass through one another without contact, but do interact indirectly through their mutual contact with the shell at the joint. Discrete beams models of the stiffeners include a stringer with a symmetrical cross section and a ring with either a symmetrical or an asymmetrical open section. Mathematical formulations presented for the linear response include the effect of transverse shear deformations and the effect of warping of the ring's cross section due to torsion. These effects are important when the ring has an asymmetrical cross section because the loss of symmetry in the problem results in torsion and out-of-plane bending of the ring, and a concomitant rotation of the joint at the stiffener intersection about the circumferential axis. Data from a composite material crown panel typical of a large transport fuselage structure are used for two numerical examples. Although the inclusion of geometric nonlinearity reduces the 'pillowing' of the shell, it is found that bending is localized to a narrow region near the stiffener. Including warping deformation of the ring into the analysis changes the sense of the joint rotation. Transverse shear deformation models result in increased joint flexibility.

Johnson, Eric R.↗

DOE OSTI2018

A three-dimensional meso-scale approach to concrete fracture based on combined DEM with X-ray μCT images

Highlights: • We investigate fracture in concrete beams subjected to 3-point bending. • We use a discrete element method (DEM) to capture fracture. • Concrete is described as 4-phase material. • Evolution of micro-structural phenomena is investigated. • The 3D results are carefully compared with the 2D ones. - Abstract: The paper shows three-dimensional (3D) numerical mesoscopic results on progressive concrete fracture at aggregate level in a notched concrete beam under bending. A classical particle discrete element method was used to capture fracture in concrete. Heterogeneity was taken into account with a 4-phase concrete description: aggregate, cement matrix, macro-voids and interfacial transitional zones. Both the real shape and location of aggregate particles in concrete were assumed in DEM analyses based on X-ray μCT scans. A satisfactory agreement in terms of the vertical force versus crack mouth opening displacement evolution and crack geometry was achieved between DEM analyses and own laboratory tests. The evolution of broken contacts, contact normal forces, particle rotations, internal energies was studied at the aggregate level. The 3D results were also carefully compared with the 2D ones. The 3D model proved to be a promising simulation tool in predicting concrete fracture at the mesoscopic and macroscopic level.

36 MATERIALS SCIENCE↗