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All sourcesNASA NTRSDOE OSTI
NASA NTRS2021

Application of Radon Transform to Multi-Angle Measurements Made by the Research Scanning Polarimeter: A New Approach to Cloud Tomography. Part I: Theory and Tests on Simulated Data.

The Research Scanning Polarimeter (RSP) is an airborne along-track scanner measuring the polarized and total reflectances in 9 spectral channels. The RSP was a prototype for the Aerosol Polarimetry Sensor (APS) launched on-board the NASA Glory satellite. Currently the retrieval algorithms developed for the RSP are being adopted for the measurements of the space-borne polarimeters on the upcoming NASA’s Plankton, Aerosol, Cloud Ocean Ecosystem (PACE)satellite mission. The RSP’s uniquely high angular resolution coupled with the high frequency of measurements allows for characterization of liquid water cloud droplet sizes using the polarized rainbow structure. It also provides geometric constraints on the cumulus cloud’s 2D cross section yielding the cloud’s geometric shape estimates. In this study we further build on the latter technique to develop a new tomographic approach to retrieval of cloud internal structure from remote sensing measurements. While tomography in the strict definition is a technique based on active measurements yielding a tomogram (directional optical thickness as a function of angle and offset of the view ray), we developed a “semi-tomographic” approach in which tomogram of the cloud is estimated from passive observations instead of being measured directly. This tomogram is then converted into 2D spatial distribution of the extinction coefficient using inverse Radon transform (filtered back projection) which is the standard tomographic procedure used e.g., in medical CT scans. This algorithm is computationally inexpensive compared to techniques relying on highly-multi-dimensional least-square fitting; it does not require iterative 3D RT simulations. The resulting extinction distribution is defined up to an unknown constant factor, so we discuss the ways to calibrate it using additional independent measurements. In the next step we use the profile of the droplet size distribution parameters from the cloud’s side (derived by fitting the polarized rainbows) to convert the 2D extinction distribution into that of the droplet number concentration. We illustrate and validate the proposed technique using 3D-RT-simulatedRSP observations of a LES-generated Cu cloud. Quantitative comparisons between the retrieved and the original optical and microphysical parameters are presented.

clouds↗
NASA NTRS1973

Application of modern control theory to the design of optimum aircraft controllers

The synthesis procedure presented is based on the solution of the output regulator problem of linear optimal control theory for time-invariant systems. By this technique, solution of the matrix Riccati equation leads to a constant linear feedback control law for an output regulator which will maintain a plant in a particular equilibrium condition in the presence of impulse disturbances. Two simple algorithms are presented that can be used in an automatic synthesis procedure for the design of maneuverable output regulators requiring only selected state variables for feedback. The first algorithm is for the construction of optimal feedforward control laws that can be superimposed upon a Kalman output regulator and that will drive the output of a plant to a desired constant value on command. The second algorithm is for the construction of optimal Luenberger observers that can be used to obtain feedback control laws for the output regulator requiring measurement of only part of the state vector. This algorithm constructs observers which have minimum response time under the constraint that the magnitude of the gains in the observer filter be less than some arbitrary limit.

Power, L. J.↗
DOE OSTI2022

TTDFT: A GPU accelerated Tucker tensor DFT code for large-scale Kohn-Sham DFT calculations

We present the Tucker tensor DFT (TTDFT) code which uses a tensor-structured algorithm with graphic processing unit (GPU) acceleration for conducting ground-state DFT calculations on large-scale systems. The Tucker tensor DFT algorithm uses a localized Tucker tensor basis computed from an additive separable approximation to the Kohn-Sham Hamiltonian. The discrete Kohn-Sham problem is solved using Chebyshev filtered subspace iteration method that relies on matrix-matrix multiplications of a sparse symmetric Hamiltonian matrix and a dense wavefunction matrix, expressed in the localized Tucker tensor basis. These matrix-matrix multiplication operations, which constitute the most computationally intensive step of the solution procedure, are GPU accelerated providing ~8-fold GPU-CPU speedup for these operations on the largest systems studied. In conclusion, the computational performance of the TTDFT code is presented using benchmark studies on aluminum nano-particles and silicon quantum dots with system sizes ranging up to ~7,000 atoms.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Theory of oblique-field magnetoresistance from spin centers in three-terminal spintronic devices

Here, we present a general stochastic Liouville theory of electrical transport across a barrier between two conductors that occurs via sequential hopping through a single defect's spin-0 to spin-1/2 transition. We find magnetoconductances similar to Hanle features (pseudo Hanle features) that originate from Pauli blocking without spin accumulation, and also predict that evolution of the defect's spin modifies the conventional Hanle response, producing an inverted Hanle signal from spin center evolution. We propose studies in oblique magnetic fields that would unambiguously determine if a magnetoconductance results from spin-center assisted transport.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

A comparison of Raman and pyrometry dynamic temperature measurements of shocked cyclohexane

Optical pyrometry is a well-developed, broadly applicable method to determine temperature in dynamic compression experiments. However, it measures radiation from only the skin depth of the radiant material, is highly susceptible to spurious backgrounds, and requires an often-unmeasurable free parameter—the sample dynamic emissivity. Raman spectroscopy offers a method to determine temperature directly from fundamental theory, but it is practically limited in applications to a small subset of shock experiments. In this work, we describe an experiment allowing simultaneous application of Raman and pyrometric temperature techniques to benchmark a specific instance of pyrometry. We attempted both measurements on multiple experiments and compare the successful temperature results between the separate but highly repeatable shots. Here, we find that dynamic shock temperatures inferred from Raman spectroscopy and pyrometry generally agree within the uncertainties of each measurement, although those uncertainties are larger than typical for a specially designed pyrometry experiment on a shocked metal sample.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Tunneling magnetoresistance in MgO tunnel junctions with Fe-based leads in empirically corrected density functional theory

The minority-spin Fe/MgO interface states are at the Fermi level in density functional theory (DFT), but experimental evidence and GW calculations place them slightly higher in energy. This small shift can strongly influence tunneling magnetoresistance (TMR) in junctions with a thin MgO barrier and its dependence on the concentration of Co in the electrodes. Here, in this study, an empirical potential correction to DFT is introduced to shift the interface states up to match the tunnel spectroscopy data. With this shift, TMR in Fe/MgO/Fe junctions exceeds 800% and 3000% at 3 and 4 monolayers (ML) of MgO, respectively. We further consider the effect of alloying of the Fe electrodes with up to 30% Co or 10% V, treating them in the coherent potential approximation (CPA). Alloying with Co broadens the interface states and brings a large incoherent minority-spin spectral weight to the Fermi level. Alloying with V brings the minority-spin resonant states close to the Fermi level. However, in both cases the minority-spin spectral weight at the Fermi level resides primarily at the periphery of the Brillouin zone, which is favorable for spin filtering. Using convolutions of k II -resolved barrier densities of states calculated in CPA, it is found that TMR is strongly reduced by alloying with Co or V but still remains above 500% at 4 ML of MgO up to 30% of Co or 5% V. At 5 ML, the TMR increases above 1000% in all systems considered. However, while TMR declines sharply with increasing bias up to 0.2 eV in the tunnel junctions with pure Fe leads, it remains almost constant up to 0.5 eV if leads are alloyed with Co.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS2015

Enhanced Engine Performance During Emergency Operation Using a Model-Based Engine Control Architecture

This paper discusses the design and application of model-based engine control (MBEC) for use during emergency operation of the aircraft. The MBEC methodology is applied to the Commercial Modular Aero-Propulsion System Simulation 40,000 (CMAPSS40,000) and features an optimal tuner Kalman Filter (OTKF) to estimate unmeasured engine parameters, which can then be used for control. During an emergency scenario, normally-conservative engine operating limits may be relaxed to increase the performance of the engine and overall survivability of the aircraft; this comes at the cost of additional risk of an engine failure. The MBEC architecture offers the advantage of estimating key engine parameters that are not directly measureable. Estimating the unknown parameters allows for tighter control over these parameters, and on the level of risk the engine will operate at. This will allow the engine to achieve better performance than possible when operating to more conservative limits on a related, measurable parameter.

control theory↗
DOE OSTI2025

Lanczos Algorithm, the Transfer Matrix, and the Signal-to-Noise Problem

This Letter introduces a method for determining the energy spectrum of lattice quantum chromodynamics by applying the Lanczos algorithm to the transfer matrix and using a bootstrap generalization of the Cullum-Willoughby method to filter out spurious eigenvalues. Proof-of-principle analyses of the simple harmonic oscillator and the lattice quantum chromodynamics proton mass demonstrate that this method provides faster ground-state convergence than the “effective mass,” which is related to the power-iteration algorithm. Lanczos provides more accurate energy estimates than multistate fits to correlation functions with small imaginary times while achieving comparable statistical precision. Two-sided error bounds are computed for Lanczos results and guarantee that excited-state effects cannot shift Lanczos results far outside their statistical uncertainties.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2016

Enhanced Engine Performance During Emergency Operation Using a Model-Based Engine Control Architecture

This paper discusses the design and application of model-based engine control (MBEC) for use during emergency operation of the aircraft. The MBEC methodology is applied to the Commercial Modular Aero-Propulsion System Simulation 40k (CMAPSS40k) and features an optimal tuner Kalman Filter (OTKF) to estimate unmeasured engine parameters, which can then be used for control. During an emergency scenario, normally-conservative engine operating limits may be relaxed to increase the performance of the engine and overall survivability of the aircraft; this comes at the cost of additional risk of an engine failure. The MBEC architecture offers the advantage of estimating key engine parameters that are not directly measureable. Estimating the unknown parameters allows for tighter control over these parameters, and on the level of risk the engine will operate at. This will allow the engine to achieve better performance than possible when operating to more conservative limits on a related, measurable parameter.

engine control↗
DOE OSTI2022

An ensemble data assimilation modeling system for operational outdoor microalgae growth forecasting

Microalgae have received increasing attention as a potential feedstock for biofuel or biobased products. Forecasting the microalgae growth is beneficial for managers in planning pond operations and harvesting decisions. This study proposed a biomass forecasting system comprised of the Huesemann Algae Biomass Growth Model (BGM), the Modular Aquatic Simulation System in Two Dimensions (MASS2), ensemble data assimilation (DA), and numerical weather prediction Global Ensemble Forecast System (GEFS) ensemble meteorological forecasts. The novelty of this study is to seek the use of ensemble DA to improve both BGM and MASS2 model initial conditions with the assimilation of biomass and water temperature measurements and consequently improve short-term biomass forecasting skills. This study introduces the theory behind the proposed integrated biomass forecasting system, with an application undertaken in pseudo-real-time in three outdoor ponds cultured with Chlorella sorokiniana in Delhi, California, United States. Results from all three case studies demonstrate that the biomass forecasting system improved the short-term (i.e., 7-day) biomass forecasting skills by about 60% on average, comparing to forecasts without using the ensemble DA method. Given the satisfactory performances achieved in this study, it is probable that the integrated BGM-MASS2-DA forecasting system can be used operationally to inform managers in making pond operation and harvesting planning decisions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

In‐Silico Device Performance Prediction of Cosensitizer Dye Pairs for Dye‐Sensitized Solar Cells

Abstract Endeavors in the field of dye‐sensitized solar cells (DSCs) have shown great promise when adopting a data‐driven approach to materials discovery, such as successful molecular‐scale predictions of light‐harvesting chromophores. However, predictions of DSC dyes would become much more sophisticated if a molecular‐to‐macroscopic DSC device prediction methodology existed. Thereby, a fully computational pipeline is presented that predicts device‐performance parameters of DSCs which contain varying dye combinations. Optimal pairing of complementary dyes is identified via a data‐driven workflow that affords cosensitized DSCs with maximum power‐conversion efficiencies. Six high‐performing DSC dyes are paired with partner dyes that are screened from a database of 8488 compounds using sequential heuristic filters. Existing models that predict short‐circuit‐current density ( J SC ) and open‐circuit voltage ( V OC ) parameters are adapted to predict singly sensitized and cosensitized DSC performance. The predictions for J sc values of singly sensitized devices match experimental literature values with comparable accuracy to more computationally costly methods. Five out of six dye pairings are predicted to have greater J SC values when cosensitized compared to their corresponding singly sensitized devices, including two pairs that show strong J sc boosts of +13% and +12% when cosensitized. Thus, the prospect of an entirely in‐silico prediction pipeline for DSC performance that can be used to realize the fully automated design of optimized cosensitized DSCs is demonstrated.

14 SOLAR ENERGY↗
NASA NTRS1994

Voyager Observations of the Color of Saturn's Ring

Previously unreduced high resolution Voyager 2 images of Saturn's main rings are used to generate reflectivity (I/F) profiles as a function of radius. Ratios of profiles taken from green, violet, orange, and UV filter images are then produced. The I/F ratios are diagnostic of composition, and provide us with information on the rings' present state of compositional evolution. The rings are extremely reddish in color which suggests that they could not be pure water ice. The most likely candidates for the non-icy components are silicates and organics. The sources of these pollutants are of extreme importance in determining the compositional history of the rings. The radial profiles of ring color ratio exhibit several very interesting properties: (a) broad-scale, fairly smooth, color variations which are only weakly correlated with underlying ring structure (optical depth variations) across the outer C ring and inner B ring as well as the Cassini division region. These variations are probably consistent with ballistic transport; (b) fine-scale, noise-Like (but unquestionably real) color variations across at least the outer two-thirds of the B ring. Not only the "redness" but the spectral shape varies. These variations are currently unexplained. Groundbased spectroscopic observations should be pursued to study the implied compositional heterogeneities on at least the larger scales. This data set will be used for modeling of the color and composition of the main rings using ballistic transport and radiative transfer theories.

Estrada, Paul R.↗
DOE OSTI2024

Maximum a posteriori Ly α estimator (MAPLE): band power and covariance estimation of the 3D Ly α forest power spectrum

We present a novel maximum a posteriori estimator to jointly estimate band powers and the covariance of the three-dimensional power spectrum (P3D) of Ly $\alpha$ forest flux fluctuations, called MAPLE. Our Wiener-filter based algorithm reconstructs a window-deconvolved P3D in the presence of complex survey geometries typical for Ly $\alpha$ surveys that are sparsely sampled transverse to and densely sampled along the line of sight. We demonstrate our method on idealized Gaussian random fields with two selection functions: (i) a sparse sampling of 30 background sources per square degree designed to emulate the current Dark Energy Spectroscopic Instrument; (ii) a dense sampling of 900 background sources per square degree emulating the upcoming Prime Focus Spectrograph Galaxy Evolution Survey. Our proof-of-principle shows promise, especially since the algorithm can be extended to marginalize jointly over nuisance parameters and contaminants, i.e. offsets introduced by continuum fitting. Our code is implemented in JAX and is publicly available on GitHub.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2013

Comparing Two Approaches for Assessing Observation Impact

Langland and Baker introduced an approach to assess the impact of observations on the forecasts. In that approach, a state-space aspect of the forecast is defined and a procedure is derived ultimately relating changes in the aspect with changes in the observing system. Some features of the state-space approach are to be noted: the typical choice of forecast aspect is rather subjective and leads to incomplete assessment of the observing system, it requires availability of a verification state that is in practice correlated with the forecast, and it involves the adjoint operator of the entire data assimilation system and is thus constrained by the validity of this operator. This article revisits the topic of observation impacts from the perspective of estimation theory. An observation-space metric is used to allow inferring observation impact on the forecasts without the limitations just mentioned. Using differences of observation-minus-forecast residuals obtained from consecutive forecasts leads to the following advantages: (i) it suggests a rather natural choice of forecast aspect that directly links to the data assimilation procedure, (ii) it avoids introducing undesirable correlations in the forecast aspect since verification is done against the observations, and (iii) it does not involve linearization and use of adjoints. The observation-space approach has the additional advantage of being nearly cost free and very simple to implement. In its simplest form it reduces to evaluating the statistics of observationminus- background and observation-minus-analysis residuals with traditional methods. Illustrations comparing the approaches are given using the NASA Goddard Earth Observing System.

Variational Analysis↗
NASA NTRS2016

The New Sun-Sky-Lunar Cimel CE318-T Multiband Photometer - A Comprehensive Performance Evaluation

This paper presents the new photometer CE318-T, able to perform daytime and night-time photometric measurements using the sun and the moon as light source. Therefore,this new device permits a complete cycle of diurnal aerosol and water vapour measurements valuable to enhance atmospheric monitoring to be extracted. In this study wehave found significantly higher precision of triplets when comparing the CE318-T master instrument and the Cimel AErosol RObotic NET work (AERONET) master (CE318-AERONET) triplets as a result of the new CE318-T tracking system. Regarding the instrument calibration, two new methodologies to transfer the calibration from a reference instrument using only daytime measurements (Sun Ratio and Sun-Moon gain factor techniques) are presented and discussed. These methods allow the reduction of the previous complexities inherent to nocturnal calibration. A quantitative estimation of CE318-T AOD uncertainty by means of error propagation theory during daytime revealed AOD uncertainties (u(sup D)(sub AOD)) for Langley-calibrated instruments similar to the expected values for other reference instruments (0.002-0.009). We have also found u(sup D)(sub AOD) values similar to the values reported in sun photometry for field instruments (approximately 0.015). In the case of the night-time period, the CE318-T-estimated standard combined uncertainty (u(sup N)(sub AOD)) is dependent not only on the calibration technique but also on illumination conditions and the instrumental noise. These values range from 0.011-0.018 for Lunar Langley-calibrated instruments to 0.012-0.021 for instruments calibrated using the Sun Ratio technique. In the case of moon-calibrated instruments using the Sun-Moon gain factor method and sun calibrated using the Langley technique, we found u(sup N)(sub AOD) ranging from 0.016 to 0.017 (up to 0.019 in 440 nm channel), not dependent on any lunar irradiance model. A subsequent performance evaluation including CE318-T and collocated measurements from independent reference instruments has served to assess the CE318-T performance as well as to confirm its estimated uncertainty. Daytime AOD evaluation, performed at Izana station from March to June 2014, encompassed measurements from a reference CE318-T, a CE318-AERONET master instrument, a Precision Filter Radiometer (PFR) and a Precision Spectroradiometer (PSR) prototype, reporting low AOD discrepancies between the four instruments (up to 0.006). The nocturnal AOD evaluation was performed using CE318-T- and starphotometer-collocated measurements and also by means of a day/night coherence transition test using the CE318-T master instrument and the CE318 daytime data from the CE318-AERONET master instrument. Results showed low discrepancies with the star photometer at 870 and 500 nm channels(less tna or equal to 0.013) and differences with AERONET daytime data (1 h after and before sunset and sunrise) in agreement with the estimated u(sup N)(sub AOD) values at all illumination conditions in the case of channels within the visible spectral range, and only for high moon's illumination conditions in the case of near infrared channels. Perceptible water vapour (PWV) validation showed a good agreement between CE318-T and Global Navigation Satellite System (GNSS) PWV values for all illumination conditions, within the expected precision for sun photometry. Finally, two case studies have been included to highlight the ability of the new CE318-T to capture the diurnal cycle of aerosols and water vapour as well as short-term atmospheric variations, critical for climate studies.

Barreto, Africa↗
DOE OSTI2020

The skin microbiome of elasmobranchs follows phylosymbiosis, but in teleost fishes, the microbiomes converge

Background: The vertebrate clade diverged into Chondrichthyes (sharks, rays, and chimeras) and Osteichthyes fishes (bony fishes) approximately 420 mya, with each group accumulating vast anatomical and physiological differences, including skin properties. The skin of Chondrichthyes fishes is covered in dermal denticles, whereas Osteichthyes fishes are covered in scales and are mucous rich. The divergence time among these two fish groups is hypothesized to result in predictable variation among symbionts. Here, using shotgun metagenomics, we test if patterns of diversity in the skin surface microbiome across the two fish clades match predictions made by phylosymbiosis theory. In this work, we hypothesize (1) the skin microbiome will be host and clade-specific, (2) evolutionary difference in elasmobranch and teleost will correspond with a concomitant increase in host-microbiome dissimilarity, and (3) the skin structure of the two groups will affect the taxonomic and functional composition of the microbiomes. Results: We show that the taxonomic and functional composition of the microbiomes is host-specific. Teleost fish had lower average microbiome within clade similarity compared to among clade comparison, but their composition is not different among clade in a null based model. Elasmobranch’s average similarity within clade was not different than across clade and not different in a null based model of comparison. In the comparison of host distance with microbiome distance, we found that the taxonomic composition of the microbiome was related to host distance for the elasmobranchs, but not the teleost fishes. In comparison, the gene function composition was not related to the host-organism distance for elasmobranchs but was negatively correlated with host distance for teleost fishes. Conclusion: Our results show the patterns of phylosymbiosis are not consistent across both fish clades, with the elasmobranchs showing phylosymbiosis, while the teleost fish are not. The discrepancy may be linked to alternative processes underpinning microbiome assemblage, including possible historical host-microbiome evolution of the elasmobranchs and convergent evolution in the teleost which filter specific microbial groups. Our comparison of the microbiomes among fishes represents an investigation into the microbial relationships of the oldest divergence of extant vertebrate hosts and reveals that microbial relationships are not consistent across evolutionary timescales.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1995

Bicycle ergometer instrumentation to determine muscle and bone forces during exercise

It is hypothesized that bone loss experienced by astronauts in zero gravity conditions may be curtailed by appropriate exercise. According to Wolf's law, bone regenerates when muscles produce stresses by pulling on the bone during daily activity and/or exercise on Earth. to use this theory to prevent or decrease bone loss, one needs to quantify musculoskeletal loads and relate them to bone density changes. In the context of the space program, it is desirable to determine musculoskeletal loads during exercise (using the bicycle ergometer in this case) so that one may make similar measurements on Earth and in space. In this manner, load measurements on Earth may be used as reference to generate similar loads during exercise in space. The work reported in this document entails a musculoskeletal load measurement system that, when complete, will provide forces at muscle insertion points and other contact points, on bone. This data will be used by Dr. Beth A. Todd, who is also a SSF working with Dr. Shackelford, as input to a finite element model of bone sections to determine stress distributions. A bicycle ergometer has been instrumented to measure parameters needed to determine musculoskeletal forces during exercise. A primary feature of the system is its compactness. It uses small/light sensors without line-of-sight requirements. The system developed includes sensors, signal processing, a data acquisition system, and software to collect the data. The sensors used include optical encoders to measure position and orientation of the pedal (foot), accelerometers to determine kinematic parameters of the shank and thigh, load cells to measure pedal forces on the sagittal plane, and EMG probes to measure muscle activity. The signals are processed using anti-aliasing filters and amplifiers. The sensors' output is digitized using 30 channels of a board mounted inside a 486 class PC. A program sets the data acquisition parameters and collects data during a time period specified by the user. The data is put directly into a file on the hard disk in binary form. The 30 channels are sampled at 200 KHz, and each 30 channel scan is done at a rate of 1000 Hz. The instrumented ergometer has been flown in the KC-135 zero-gravity (zero-g) flight to collect information needed to determine musculoskeletal forces under these conditions. Similar information has been collected in 1-g conditions for comparision with the results from the zero-g case. At this time, the sets of data from both experiments are being processed. An existing methodology will be used to determine the kinematic parameters of the shank and thigh using accelerometer and encoder data. This methodology was developed during the fellow's previous NASA/ASEE fellowship and thanks to a Director's Grant. In the future, a methodology to determine the musculoskeletal forces using Newton's Law of Motion and optimization techniques will be developed to determine forces exerted by particular muscles.

Figueroa, Fernando↗