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At least 1,603 records · Page 89
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

The structures, binding energies and vibrational frequencies of Ca3 and Ca4: An application of the CCSD(T) method

The Ca3 and Ca4 metallic clusters have been investigated using state-of-the-art ab initio quantum mechanical methods. Large atomic natural orbital basis sets have been used in conjunction with the singles and doubles coupled-cluster (CCSD) method, a coupled-cluster method that includes a perturbational estimate of connected triple excitations, denoted CCSD(T), and the multireference configuration interaction (MRCI) method. The equilibrium geometries, binding energies and harmonic vibrational frequencies have been determined with each of the methods so that the accuracy of the coupled-cluster methods may be assessed. Since the CCSD(T) method reproduces the MRCI results very well, cubic and quartic force fields of Ca3 and Ca4 have been determined using this approach and used to evaluate the fundamental vibrational frequencies. The infrared intensities of both the e' mode of Ca3 and the t2 mode of Ca4 are found to be small. The results obtained in this study are compared and contrasted with those from our earlier studies on small Be and Mg clusters.

Lee, Timothy J.↗
NASA NTRS1991

Optimum data analysis procedures for Titan 4 and Space Shuttle payload acoustic measurements during lift-off

Analytical expressions have been derived to describe the mean square error in the estimation of the maximum rms value computed from a step-wise (or running) time average of a nonstationary random signal. These analytical expressions have been applied to the problem of selecting the optimum averaging times that will minimize the total mean square errors in estimates of the maximum sound pressure levels measured inside the Titan IV payload fairing (PLF) and the Space Shuttle payload bay (PLB) during lift-off. Based on evaluations of typical Titan IV and Space Shuttle launch data, it has been determined that the optimum averaging times for computing the maximum levels are (1) T (sub o) = 1.14 sec for the maximum overall level, and T(sub oi) = 4.88 f (sub i) (exp -0.2) sec for the maximum 1/3 octave band levels inside the Titan IV PLF, and (2) T (sub o) = 1.65 sec for the maximum overall level, and T (sub oi) = 7.10 f (sub i) (exp -0.2) sec for the maximum 1/3 octave band levels inside the Space Shuttle PLB, where f (sub i) is the 1/3 octave band center frequency. However, the results for both vehicles indicate that the total rms error in the maximum level estimates will be within 25 percent the minimum error for all averaging times within plus or minus 50 percent of the optimum averaging time, so a precise selection of the exact optimum averaging time is not critical. Based on these results, linear averaging times (T) are recommended for computing the maximum sound pressure level during lift-off.

Piersol, Allan G.↗
DOE OSTI2020

Multi-Frequency Analysis of Simulated versus Observed Variability in Tropospheric Temperature

Studies seeking to identify a human-caused global warming signal generally rely on climate model estimates of the “noise” of intrinsic natural variability. Assessing the reliability of these noise estimates is of critical importance. We evaluate here the statistical significance of differences between climate model and observational natural variability spectra for global-mean mid- to upper-tropospheric temperature (TMT). We use TMT information from satellites and large multimodel ensembles of forced and unforced simulations. Our main goal is to explore the sensitivity of model-versus-data spectral comparisons to a wide range of subjective decisions. These include the choice of satellite and climate model TMT datasets, the method for separating signal and noise, the frequency range considered, and the statistical model used to represent observed natural variability. Of particular interest is the amplitude of the interdecadal noise against which an anthropogenic tropospheric warming signal must be detected. We find that on time scales of 5–20 years, observed TMT variability is (on average) overestimated by the last two generations of climate models participating in the Coupled Model Intercomparison Project. This result is relatively insensitive to different plausible analyst choices, enhancing confidence in previous claims of detectable anthropogenic warming of the troposphere and indicating that these claims may be conservative. A further key finding is that two commonly used statistical models of short-term and long-term memory have deficiencies in their ability to capture the complex shape of observed TMT spectra.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2011

Can Functional Cardiac Age be Predicted from ECG in a Normal Healthy Population

In a normal healthy population, we desired to determine the most age-dependent conventional and advanced ECG parameters. We hypothesized that changes in several ECG parameters might correlate with age and together reliably characterize the functional age of the heart. Methods: An initial study population of 313 apparently healthy subjects was ultimately reduced to 148 subjects (74 men, 84 women, in the range from 10 to 75 years of age) after exclusion criteria. In all subjects, ECG recordings (resting 5-minute 12-lead high frequency ECG) were evaluated via custom software programs to calculate up to 85 different conventional and advanced ECG parameters including beat-to-beat QT and RR variability, waveform complexity, and signal-averaged, high-frequency and spatial/spatiotemporal ECG parameters. The prediction of functional age was evaluated by multiple linear regression analysis using the best 5 univariate predictors. Results: Ignoring what were ultimately small differences between males and females, the functional age was found to be predicted (R2= 0.69, P < 0.001) from a linear combination of 5 independent variables: QRS elevation in the frontal plane (p<0.001), a new repolarization parameter QTcorr (p<0.001), mean high frequency QRS amplitude (p=0.009), the variability parameter % VLF of RRV (p=0.021) and the P-wave width (p=0.10). Here, QTcorr represents the correlation between the calculated QT and the measured QT signal. Conclusions: In apparently healthy subjects with normal conventional ECGs, functional cardiac age can be estimated by multiple linear regression analysis of mostly advanced ECG results. Because some parameters in the regression formula, such as QTcorr, high frequency QRS amplitude and P-wave width also change with disease in the same direction as with increased age, increased functional age of the heart may reflect subtle age-related pathologies in cardiac electrical function that are usually hidden on conventional ECG.

Schlegel, Todd↗
DOE OSTI2023

Kinetics of simultaneous hydrodesulfurization and hydrodenitrogenation reactions using CoMoP/Al 2 O 3 and NiMoP/Al 2 O 3

Hydrodesulfurization (HDS) is a key reaction to achieve diesel production at the specified low sulfur levels and is highly affected by a competing reaction involving nitrogen removal through hydrodenitrogenation (HDN). This work evaluated kinetic parameters of simultaneous reactions of HDS of dibenzothiophene (DBT) and HDN of quinoline (Q) using CoMoP/Al 2 O 3 and NiMoP/Al 2 O 3 catalysts under operational conditions that allow a wide range of reagent conversions. Estimated parameters were evaluated using rigorous statistical 2 analysis. Good fits for the evaluated experimental data were provided by both power-law and Langmuir-Hinshelwood models. Further, turnover frequency values highlight adsorption and competition effects between nitrogen-containing compounds and sulfur-containing compounds. NiMoP catalyst showed higher hydrogenating power than CoMoP, with larger absolute value of the estimated adsorption enthalpy (-120 kJ.mol -1 for NiMoP and -75 kJ.mol -1 for CoMoP), suggesting strong adsorption of nitrogen compounds. A catalyst with more hydrogenating power is also more capable of performing both HDN and HDS reactions simultaneously.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Vibrational spectroscopy of shock compressed condensed phase nitrous oxide: Frequency shifts in the ν 1 mode

Over many years, we have published vibrational spectra of molecular materials at extreme pressure and temperature obtained using shock compression and coherent Raman spectroscopy methods. For diatomic molecules, we were able to extract vibrational temperatures from the intensities of spectrally resolved vibrational hot bands. Larger molecules in the condensed phase suffer band broadening effects that obscure the vibrational hot bands as the anharmonicities are typically smaller than the widths of the bands. This inability to resolve the hot bands inhibits the extraction of vibrational temperature and the measurement of the vibrational frequency of the fundamental. Here, we use a hot band model based on gas-phase anharmonic coupling coefficients to fit coherent anti-Stokes Raman spectra of the ν 1 vibrational mode of shock compressed condensed phase N 2 O with shock pressures and temperatures estimated from literature equations of state and compare to fits from a model using a single Gaussian peak. We report the resulting vibrational frequency shifts with shock pressure.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Analysis of Seismic Wave Amplification in Sedimentary Basins Using 3D Wavefield Simulations: Nenana Basin, Central Alaska

We investigate seismic wave amplification in Nenana basin, central Alaska, using 3D seismic wavefield simulations. We quantify frequency-dependent amplification by comparing synthetic seismograms among four different seismic velocity models: (a) a tomographic model, (b) a tomographic model with the uppermost 6.5 km replaced by a 1D basin profile, (c) a tomographic model with an embedded ellipsoidal basin, and (d) a tomographic model with an embedded realistic basin. For each model we perform wavefield simulations accurate up to 2 Hz for a set of 10 different earthquakes, which provide a range of frequencies and incident angles for waves interacting with the basin. Average amplification ratios are four on the horizontal components and seven on the vertical component. The dominant influence of the amplification is the 3D geometry of the basin, not the slow-velocity profile near the surface. Our synthetic amplification ratios are in general agreement with amplification estimates obtained from 14 stations that recorded the same set of earthquakes. Our approach offers a general strategy for documenting frequency-dependent basin amplification for a region with realistic basin structures and local earthquakes.

Geosciences↗
NASA NTRS1994

A comparative study of clock rate and drift estimation

Five different methods of drift determination and four different methods of rate determination were compared using months of hourly phase and frequency data from a sample of cesium clocks and active hydrogen masers. Linear least squares on frequency is selected as the optimal method of determining both drift and rate, more on the basis of parameter parsimony and confidence measures than on random and systematic errors.

Breakiron, Lee A.↗
NASA NTRS2017

Using Satellite Observations of Cloud Vertical Distribution to Improve Global Model Estimates of Cloud Radiative Effect on Key Tropospheric Oxidants

Clouds directly affect tropospheric photochemistry through modification of solar radiation that determines photolysis frequencies. This effect is an important component of global tropospheric chemistry-climate interaction, and its understanding is thus essential for predicting the feedback of climate change on tropospheric chemistry.

Liu, Hongyu↗
NASA NTRS1984

Abrasion by aeolian particles: Earth and Mars

Estimation of the rate of aeolian abrasion of rocks on Mars requires knowledge of: (1) particle flux, (2) susceptibilities to abrasion of various rocks, and (3) wind frequencies on Mars. Fluxes and susceptibilities for a wide range of conditions were obtained in the laboratory and combined with wind data from the Viking meteorology experiment. Assuming an abundant supply of sand-sized particles, estimated rates range up to 2.1 x 10 to the minus 2 power cm of abrasion per year in the vicinity of Viking Lander 1. This rate is orders of magnitude too great to be in agreement with the inferred age of the surface based on models of impact crater flux. The discrepancy in the estimated rate of abrasion and the presumed old age of the surface cannot be explained easily by changes in climate or exhumation of ancient surfaces. The primary reason is thought to be related to the agents of abrasion. At least some sand-sized (approx. 100 micrometers) grains appear to be present, as inferred from both lander and orbiter observations. High rates of abrasion occur for all experimental cases involving sands of quartz, basalt, or ash. However, previous studies have shown that sand is quickly comminuted to silt- and clay-sized grains in the martian aeolian regime. Experiments also show that these fine grains are electrostatically charged and bond together as sand-sized aggregates. Laboratory simulations of wind abrasion involving aggregates show that at impact velocities capable of destroying sand, aggregates from a protective veneer on the target surface and can give rise to extremely low abrasion rates.

Greeley, R.↗
DOE OSTI2026

A Hybrid Biophysical‐Machine Learning Framework for Diurnal Surface Energy Flux Estimation Using Proximal Sensing

Thermal infrared-based remote sensing of surface energy fluxes has traditionally relied on high spatial resolution satellite data with revisit frequencies on the order of weeks. In this study, we evaluate a biophysics-based analytical surface energy balance model for predicting latent energy ( LE ) and sensible heat ( H ) fluxes using proximal sensing observations. The Surface Temperature Initiated Closure (STIC1.2) model has been extensively validated across a wide range of spatial and temporal scales using various satellite-derived thermal infrared data sets. Here we extend this validation by applying STIC at sub-hourly temporal resolution over multiple growing seasons for four distinct agricultural systems. We further develop and evaluate novel STIC variants that incorporate machine learning (ML) techniques to eliminate the need for surface energy balance observations, specifically net radiation and soil heat flux, thereby enhancing model applicability in data-sparse settings. The integration of a ML component to estimate surface available energy is shown to have strong predictive performance for both LE (R 2 = 0.81–0.94) and H (R 2 = 0.46–0.72) across all agricultural systems examined here, demonstrating the potential of hybrid biophysical-machine learning approaches for surface energy balance modeling with minimal data requirements. This study concludes with a novel application of explainable machine learning (exML) to diagnose sources of model error. This exML framework attributes residual prediction errors to both model input variables and environmental drivers not explicitly included in the simulation experiments. This approach provides a new pathway for improving model design and integrating previously overlooked yet influential variables into future model iterations.

evapotranspiration↗
NASA NTRS1990

Spanwise measurements of vertical components of atmospheric turbulence

Correlation and spectrum magnitude estimates are computed for vertical gust velocity measurements at the nose and wing tips of a NASA B-57B aircraft for six level flight, low speed and low altitude runs and are compared with those of the von Karman atmospheric turbulence model extended for spanwise relationships. The distance between the wing tips was 62.6 ft. Airspeeds ranged from about 330 to 400 ft/sec, heights above the ground ranged from near ground level to about 5250 ft. and gust velocity standard deviations ranged from 4.10 to 8.86 ft/sec. Integral scale lengths, determined by matching measured autocorrelation estimates with those of the model, ranged from 410 to 2050 ft. Digital signals derived from piezoelectric sensors provided continuous pressure and airspeed measurements. Some directional acceleration sensitivity of the sensors was eliminated by sensor orientation, and their performance was spectrally verified for the higher frequencies with supplemental onboard piezoresistive sensors. The model appeared to satisfactorily predict the trends of the measured cross-correlations and cross-spectrum magnitudes, particularly between the nose and wing tips. However, the measured magnitude estimates of the cross-spectra between the wing tips exceeded the predicted levels at the higher frequencies. Causes for the additional power across the wing tips were investigated. Vertical gust velocity components evaluated along and lateral to the flight path implied that the frozen-turbulence-field assumption is a suitable approximation.

Sleeper, Robert K.↗
NASA NTRS1989

Frequency response of electrochemical cells

Impedance concepts can be applied to the analysis of battery electrodes, yielding information about the structure of the electrode and the processes occurring in the electrode. Structural parameters such as the specific area (surface area per gram of electrode) can be estimated. Electrode variables such as surface overpotential, ohmic losses, and diffusion limitations may be studied. Nickel and cadmium electrodes were studied by measuring the ac impedance as a function of frequency, and the specific areas that were determined were well within the range of specific areas determined from BET measurements. Impedance spectra were measured for the nickel and cadmium electrodes, and for a 20 A-hr NiCd battery as functions of the state of charge. More work is needed to determine the feasibility of using frequency response as a nondestructive testing technique for batteries.

Thomas, Daniel L.↗
NASA NTRS2020

Aerodynamic Parameter Estimation Using Reconstructed Turbulence Measurements

A classical method for reconstructing atmospheric turbulence from onboard measurements of airdata and inertial sensors was improved and implemented for real-time computation. The reconstructed turbulence measurements were then included in a system identification analysis to estimate nondimensional stability and control derivatives in a longitudinal short period model using the maximum likelihood equation-error method in the frequency domain with Fourier-transform data. Flight test results using a subscale transport-type airplane showed that the power spectra for the reconstructed vertical gusts resembled the von Kármán turbulence model. Flight data in moderate and severe turbulence exhibited a decorrelation of the modeling data that increased the accuracy of parameter estimation results using the reconstructed turbulence. In particular, pitch rate and angle-of-attack rate derivatives could both be identified from flight data about straight and level flight without special maneuvers or prior information.

Jared A Grauer↗
DOE OSTI2020

Shape-constrained Input Estimation for Efficient Multi-shaker Vibration Testing

Multi-shaker vibration testing is gaining interest from structural dynamics test engineers as it can provide a much more accurate match to complicated field vibration responses than traditional single-axis shaker tests. However, the force capabilities of the small modal shakers typically used in multi-shaker vibration tests has limited the achievable response levels. To date, most multi-shaker vibration tests have been performed using a variety of standard, commercially-available control systems. While these control systems are adequate for a wide range of multiple-input/multiple-output tests, their control algorithms have not been tailored for the specific problem of multi-shaker vibration tests: efficiently coordinating the various shakers to work together to achieve a desired response. Here, a new input estimation algorithm is developed and demonstrated using simulations and actual test data. This algorithm, dubbed shape-constrained input estimation, is shown to effectively coordinate multiple shakers using a set of constraint vectors based on the deflection shapes of the test structure. This is accomplished by using the singular vector shapes of the system frequency response matrix, which allows the constraint vectors to automatically change as a function of frequency. Simulation and test results indicate a significant reduction in the input forces required to achieve a desired response. Finally, the results indicate that shape-constrained input estimation is an effective method to achieve higher response levels from limited shaker forces which will enable higher level multi-shaker vibration tests to be performed.

42 ENGINEERING↗
DOE OSTI2025

Measurement and Modeling of Polarized Atmosphere at the South Pole with SPT-3G

We present the detection and characterization of fluctuations in linearly polarized emission from the atmosphere above the South Pole. These measurements make use of data from the SPT-3G receiver on the South Pole Telescope in three frequency bands centered at 95, 150, and 220 GHz. We use the cross-correlation between detectors to produce an unbiased estimate of the power in Stokes I, Q, and U parameters on large angular scales. Our results are consistent with the polarized signal being produced by the combination of Rayleigh scattering of thermal radiation from the ground and thermal emission from a population of horizontally aligned ice crystals with an anisotropic distribution described by Kolmogorov turbulence. The measured spatial scaling, frequency scaling, and elevation dependence of the polarized emission are explained by this model. Polarized atmospheric emission has the potential to significantly impact observations on the large angular scales being targeted by searches for inflationary B-mode CMB polarization. We present the distribution of measured angular power spectrum amplitudes in Stokes Q and I for 4 yr of Austral winter observations, which can be used to simulate the impact of atmospheric polarization and intensity fluctuations at the South Pole on a specified experiment and observation strategy. We present a mitigation strategy that involves both downweighting significantly contaminated observations and subtracting a polarized atmospheric signal from the 150 GHz band maps. In observations with the SPT-3G instrument, the polarized atmospheric signal is a well-understood and subdominant contribution to the measured noise after implementing the mitigation strategies described here.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1993

Higher-order ionospheric effects on the GPS observables and means of modeling them

Based on relaistic modeling of the electron density of the ionosphere and using a dipole moment approximation for the earth magnetic field, we are able to estimate the effect of the ionosphere on the Global Positioning Systems (GPS) signal for a ground user. The lowest-order (1/f(exp 2)) effect, which is of the order of .1 - 30 meters of zenith group delay, is subtracted out by forming a linear combination of the dual frequencies of the GPS signal. One is left with second- (1/f(exp 3)) and third-order (1/f(exp 4)) effects which are estimated typically to be approximately 0 - 2 cm, and approximately 0 - 2 mm at zenith respectively, depending on the time of day, time of year, the solar cycle and the relative geometry of the magnetic field and the line of sight. Given the total electron content along a line of sight, we derive an approximation to the second-order term which is accurate to approximately 90% within the magnetic dipole moment model; this approximation can be used to reduce the second-order term to the millimeter level, thus potentially improving precise positioning in space and on the ground. The induced group delay, or phase advance, due to second- and third-order effects are examined for two ground receivers located at equatorial and mid-latitude regions tracking several GPS satellites.

Bassiri, Sassan↗
NASA NTRS2013

An Application of UAV Attitude Estimation Using a Low-Cost Inertial Navigation System

Unmanned Aerial Vehicles (UAV) are playing an increasing role in aviation. Various methods exist for the computation of UAV attitude based on low cost microelectromechanical systems (MEMS) and Global Positioning System (GPS) receivers. There has been a recent increase in UAV autonomy as sensors are becoming more compact and onboard processing power has increased significantly. Correct UAV attitude estimation will play a critical role in navigation and separation assurance as UAVs share airspace with civil air traffic. This paper describes attitude estimation derived by post-processing data from a small low cost Inertial Navigation System (INS) recorded during the flight of a subscale commercial off the shelf (COTS) UAV. Two discrete time attitude estimation schemes are presented here in detail. The first is an adaptation of the Kalman Filter to accommodate nonlinear systems, the Extended Kalman Filter (EKF). The EKF returns quaternion estimates of the UAV attitude based on MEMS gyro, magnetometer, accelerometer, and pitot tube inputs. The second scheme is the complementary filter which is a simpler algorithm that splits the sensor frequency spectrum based on noise characteristics. The necessity to correct both filters for gravity measurement errors during turning maneuvers is demonstrated. It is shown that the proposed algorithms may be used to estimate UAV attitude. The effects of vibration on sensor measurements are discussed. Heuristic tuning comments pertaining to sensor filtering and gain selection to achieve acceptable performance during flight are given. Comparisons of attitude estimation performance are made between the EKF and the complementary filter.

Eure, Kenneth W.↗