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At least 1,117 records · Page 62
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

Electron cyclotron current drive modelling with parallel momentum correction for tokamaks and stellarators

The electron cyclotron current drive (ECCD) is described by the solution of a drift-kinetic equation (DKE) with the quasi-linear heating term which is highly localised in phase space. Within the adjoint approach, an equivalent DKE must be solved without this highly localised source, and the ECCD is described by a straightforward convolution in phase space. The parallel momentum correction technique [Maassberg et al., Phys. Plasmas 16, 072504 (2009)] reduces the problem to the solution of a simplified mono-energetic DKE. The mono-energetic distribution functions are calculated by the DKES code [W. I. van Rij and S. P. Hirshman, Phys. Fluids B 1, 563 (1989)]. Parallel momentum correction, requiring only an energy-dependent weighting factor, is applied to these distribution functions allowing for the direct estimation of the EC-driven current. For small yet finite collisionalities, a rather simple model for ECCD is presented. In this approach, the symmetric portion of the electron distribution function with respect to v{sub Parallel-To} (the Ware pinch contribution) is neglected and an 'off-set' only in the passing particle domain adds to the collisionless (anti-symmetric) distribution function. For this approximation, only the mono-energetic parallel conductivity coefficient as function of the collisionality is needed. The impact of small yet finite collisionalities on ECCD is shown for X2- and O2-scenarios at W7-X.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1982

Microwave remote sensing of soil moisture, volume 1

Multifrequency sensor data from NASA's C-130 aircraft were used to determine which of the all weather microwave sensors demonstrated the highest correlation to surface soil moisture over optimal bare soil conditions, and to develop and test techniques which use visible/infrared sensors to compensate for the vegetation effect in this sensor's response to soil moisture. The L-band passive microwave radiometer was found to be the most suitable single sensor system to estimate soil moisture over bare fields. The perpendicular vegetation index (PVI) as determined from the visible/infrared sensors was useful as a measure of the vegetation effect on the L-band radiometer response to soil moisture. A linear equation was developed to estimate percent field capacity as a function of L-band emissivity and the vegetation index. The prediction algorithm improves the estimation of moisture significantly over predictions from L-band emissivity alone.

Mcfarland, M. J.↗
DOE OSTI2015

Manganese-Based Molecular Electrocatalysts for Oxidation of Hydrogen

Oxidation of H2 (1 atm) is catalyzed by the manganese electrocatalysts [(P2N2)MnI(CO)(bppm)]+ and [(PNP)MnI(CO)(bppm)]+ (P2N2= 1,5-dibenzyl-3,7-diphenyl-1,5-diaza-3,7-diphosphacyclooctane; PNP = (Ph2PCH2)2NMe); bppm = (PArF2)2CH2, and ArF = 3,5-(CF3)2C6H3). In fluorobenzene solvent using 2,6-lutidine as the exogeneous base, the turnover frequency for [(P2N2)MnI(CO)(bppm)]+ is 3.5 s-1 with an estimated overpotential of 590 mV. For [(PNP)MnI(CO)(bppm)], in fluorobenzene solvent using N-methylpyrrolidine as the exogeneous base, the turnover frequency is 1.4 s-1 with an estimated overpotential of 700 mV. Density functional theory calculations suggest that the slow step in the catalytic cycle is proton transfer from the oxidized 17-electron manganese hydride, e.g., [(P2N2)MnIIH(CO)(bppm)]+ to the pendant amine. The computed activation barrier for intramolecular proton transfer from the metal to the pendant amine is 20.4 kcal/mol in [(P2N2)MnIIH(CO)(bppm)]+ and 21.3 kcal/mol in [(PNP)MnI(CO)(bppm)]. The high barrier appears to result from both the unfavorability of metal-to-nitrogen proton transfer (thermodynamically uphill by 6.6 pKa units, 9 kcal/mol), as well as the relatively long manganese-nitrogen separation in the MnIIH complexes.

Hydrogen, oxidation, electrocatalysis, proton tran↗
DOE OSTI2019

Analysis of the Behavior of Individual Emission Sites on the Surface of a Multi-Tip Field Cathode

A method of analysis of the surface of multi-tip field cathodes using data obtained with the aid of a computer-controlled field emission projector and a system of fast high-voltage scanning is described. An investigation of a polymer/carbon nanotube composite field electron emitter by this method was used to determine the distribution of individual emission sites over the surface of a multi-tip field cathode and to estimate variation of the work function of separate emission sites depending on the applied voltage. The contributions of separate groups of emission sites to a change of the shape of current–voltage characteristic of a multi-tip cathode have been numerically estimated.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Visualizing Orbital Content of Electronic Bands in Anisotropic 2D Semiconducting ReSe 2

Many properties of layered materials change as they are thinned from their bulk forms down to single layers, with examples including indirect-to-direct band gap transition in 2H semiconducting transition metal dichalcogenides as well as thickness-dependent changes in the valence band structure in post-transition-metal monochalcogenides and black phosphorus. Here, we use angle-resolved photoemission spectroscopy to study the electronic band structure of monolayer ReSe 2 , a semiconductor with a distorted 1T structure and in-plane anisotropy. By changing the polarization of incoming photons, we demonstrate that for ReSe 2 , in contrast to the 2H materials, the out-of-plane transition metal dz2 and chalcogen pz orbitals do not contribute significantly to the top of the valence band, which explains the reported weak changes in the electronic structure of this compound as a function of layer number. We estimate a band gap of 1.7 eV in pristine ReSe 2 using scanning tunneling spectroscopy and explore the implications on the gap following surface doping with potassium. Additionally, a lower bound of 1.4 eV is estimated for the gap in the fully doped case, suggesting that doping-dependent many-body effects significantly affect the electronic properties of ReSe 2 . Our results, supported by density functional theory calculations, provide insight into the mechanisms behind polarization-dependent optical properties of rhenium dichalcogenides and highlight their place among two-dimensional crystals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

How accurate are static polarizability predictions from density functional theory? An assessment over 132 species at equilibrium geometry

Static polarizabilities are the first response of the electron density to electric fields, and are therefore important for predicting intermolecular and molecule-field interactions. They also offer a global measure of the accuracy of the treatment of excited states by density functionals in a formally exact manner. We have developed a database of benchmark static polarizabilities for 132 small species at equilibrium geometry, using coupled cluster theory through triple excitations (extrapolated to the complete basis set limit), for the purpose of developing and assessing density functionals. The performance of 60 popular and recent functionals are also assessed, which indicates that double hybrid functionals perform the best, having RMS relative errors in the range of 2.5-3.8%. Many hybrid functionals also give quite reasonable estimates with 4-5% RMS relative error. A few meta-GGAs like mBEEF and MVS yield performance comparable to hybrids, indicating potential for improved excited state predictions relative to typical local functionals. Some recent functionals however are found to be prone to catastrophic failure (possibly as a consequence of overparameterization), indicating a need for caution in applying these.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS2020

Image Moment-Based Extended Object Tracking for Complex Motions

A novel image moment-based model for shape estimation and tracking of an extended target moving with a complex trajectory is presented. The proposed extended object tracking algorithm is based on multiple noisy measurement points sampled from the target at each time step. The shape of the object, approximated by an ellipse, is estimated using a combination of image moments. Dynamic models of image moments for constant velocity and coordinated turn motions are mathematically derived. An unscented Kalman filter - interacting multiple model (UKF-IMM) method is used to track the object and estimate its shape. A likelihood function based on average log-likelihood is derived for the IMM filter. Simulation results of the proposed UKF-IMM algorithm with the image momentbased models are presented that show the estimation of the shape of the object moving in a complex trajectory. The intersection over union (IoU), and the root mean square errors (RMSEs) of the position and velocity of the centroid of the ellipse are used as metrics. The comparison results of the proposed algorithm with a benchmark algorithm from literature based on the IoU and RMSE metrics are presented.

Extended object tracking↗
NASA NTRS1988

An investigation of new methods for estimating parameter sensitivities

Parameter sensitivity is defined as the estimation of changes in the modeling functions and the design variables due to small changes in the fixed parameters of the formulation. There are currently several methods for estimating parameter sensitivities requiring either difficult to obtain second order information, or do not return reliable estimates for the derivatives. Additionally, all the methods assume that the set of active constraints does not change in a neighborhood of the estimation point. If the active set does in fact change, than any extrapolations based on these derivatives may be in error. The objective here is to investigate more efficient new methods for estimating parameter sensitivities when the active set changes. The new method is based on the recursive quadratic programming (RQP) method and in conjunction a differencing formula to produce estimates of the sensitivities. This is compared to existing methods and is shown to be very competitive in terms of the number of function evaluations required. In terms of accuracy, the method is shown to be equivalent to a modified version of the Kuhn-Tucker method, where the Hessian of the Lagrangian is estimated using the BFS method employed by the RPQ algorithm. Inital testing on a test set with known sensitivities demonstrates that the method can accurately calculate the parameter sensitivity. To handle changes in the active set, a deflection algorithm is proposed for those cases where the new set of active constraints remains linearly independent. For those cases where dependencies occur, a directional derivative is proposed. A few simple examples are included for the algorithm, but extensive testing has not yet been performed.

Beltracchi, Todd J.↗
NASA NTRS1989

The autocorrelation properties of fluctuations in the cosmic X-ray background

The HEAO 1 A-2 all-sky survey data have been analyzed to investigate the autocorrelation function of the surface brightness fluctuations of the extragalactic 2-10 keV X-ray background on angular scales ranging from 3 to 27 deg. The derived upper limits are compatible with optical estimates of the spatial correlation function of Abell's clusters and set interesting constraints on possible AGN clustering.

Persic, M.↗
DOE OSTI2023

The two-point correlation function covariance with fewer mocks

We present FITCOV an approach for accurate estimation of the covariance of two-point correlation functions that requires fewer mocks than the standard mock-based covariance. This can be achieved by dividing a set of mocks into jackknife regions and fitting the correction term first introduced in Mohammad & Percival (2022), such that the mean of the jackknife covariances corresponds to the one from the mocks. This extends the model beyond the shot-noise limited regime, allowing it to be used for denser samples of galaxies. We test the performance of our fitted jackknife approach, both in terms of accuracy and precision, using lognormal mocks with varying densities and approximate EZmocks mimicking the Dark Energy Spectroscopic Instrument LRG and ELG samples in the redshift range of z = [0.8, 1.1]. We find that the Mohammad–Percival correction produces a bias in the two-point correlation function covariance matrix that grows with number density and that our fitted jackknife approach does not. We also study the effect of the covariance on the uncertainty of cosmological parameters by performing a full-shape analysis. We demonstrate that our fitted jackknife approach based on 25 mocks can recover unbiased and as precise cosmological parameters as the ones obtained from a covariance matrix based on 1000 or 1500 mocks, while the Mohammad–Percival correction produces uncertainties that are twice as large.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1989

Numerical experience with a class of algorithms for nonlinear optimization using inexact function and gradient information

For optimization problems associated with engineering design, parameter estimation, image reconstruction, and other optimization/simulation applications, low accuracy function and gradient values are frequently much less expensive to obtain than high accuracy values. Here, researchers investigate the computational performance of trust region methods for nonlinear optimization when high accuracy evaluations are unavailable or prohibitively expensive, and confirm earlier theoretical predictions when the algorithm is convergent even with relative gradient errors of 0.5 or more. The proper choice of the amount of accuracy to use in function and gradient evaluations can result in orders-of-magnitude savings in computational cost.

Carter, Richard G.↗
DOE OSTI2018

Thin-Film Thermal Conductivity Measurements Using Superconducting Nanowires

We present a simple experimental scheme for estimating the cryogenic thermal transport properties of thin films using superconducting nanowires. In a parallel array of nanowires, the heat from one nanowire in the normal state changes the local temperature around adjacent nanowires, reducing their switching current. Calibration of this change in switching current as a function of bath temperature provides an estimate of the temperature as a function of displacement from the heater. This provides a method of determining the contribution of substrate heat transport to the cooling time of superconducting nanowire single-photon detectors. Understanding this process is necessary for successful electrothermal modeling of superconducting nanowire systems.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS2017

Thin Film Thermal Conductivity Measurements using Superconducting Nanowires

We present a simple experimental scheme for estimating the cryogenic thermal transport properties of thin films using superconducting nanowires. In a parallel array of nanowires, the heat from one nanowire in the normal state changes the local temperature around adjacent nanowires, reducing their switching current. Calibration of this change in switching current as a function of bath temperature provides an estimate of the temperature as a function of displacement from the heater. This provides a method of determining the contribution of substrate heat transport to the cooling time of superconducting nanowire single photon detectors. Understanding this process is necessary for successful electrothermal modeling of superconducting nanowire systems.

Shaw, M. D.↗
DOE OSTI2016

SU-F-T-301: Planar Dose Pass Rate Inflation Due to the MapCHECK Measurement Uncertainty Function

Purpose: To quantify the effect of the Measurement Uncertainty function on planar dosimetry pass rates, as analyzed with Sun Nuclear Corporation analytic software (“MapCHECK” or “SNC Patient”). This optional function is toggled on by default upon software installation, and automatically increases the user-defined dose percent difference (%Diff) tolerance for each planar dose comparison. Methods: Dose planes from 109 IMRT fields and 40 VMAT arcs were measured with the MapCHECK 2 diode array, and compared to calculated planes from a commercial treatment planning system. Pass rates were calculated within the SNC analytic software using varying calculation parameters, including Measurement Uncertainty on and off. By varying the %Diff criterion for each dose comparison performed with Measurement Uncertainty turned off, an effective %Diff criterion was defined for each field/arc corresponding to the pass rate achieved with MapCHECK Uncertainty turned on. Results: For 3%/3mm analysis, the Measurement Uncertainty function increases the user-defined %Diff by 0.8–1.1% average, depending on plan type and calculation technique, for an average pass rate increase of 1.0–3.5% (maximum +8.7%). For 2%, 2 mm analysis, the Measurement Uncertainty function increases the user-defined %Diff by 0.7–1.2% average, for an average pass rate increase of 3.5–8.1% (maximum +14.2%). The largest increases in pass rate are generally seen with poorly-matched planar dose comparisons; the MapCHECK Uncertainty effect is markedly smaller as pass rates approach 100%. Conclusion: The Measurement Uncertainty function may substantially inflate planar dose comparison pass rates for typical IMRT and VMAT planes. The types of uncertainties incorporated into the function (and their associated quantitative estimates) as described in the software user’s manual may not accurately estimate realistic measurement uncertainty for the user’s measurement conditions. Pass rates listed in published reports or otherwise compared to the results of other users or vendors should clearly indicate whether the Measurement Uncertainty function is used.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1983

Size estimates of Titan's aerosols based on Voyager high-phase-angle images

Limits on the physical properties of the scattering haze near the top of Titan's atmosphere are derived from data obtained from seven high-phase-angle images from Voyager 1 and 2. From the ratio of the intensities observed at two different high phase angles, an estimate can be made of the forward-scattering lobe of the single-scattering phase function. Comparing the forward-scattering estimate with diffraction lobes from particles of different radii, it is concluded that the average radius of the particles found in the upper few tenths of an optical depth exceeds 0.19 micron. Judging from data observed at four different phase angles, the haze particles probably have a refractive index near 1.6 and a mean size of about 0.5 micron, if the widths of their diffraction peaks are close to those for equal-volume spheres. However, the highly polarizing nature of the particles over a broad wavelength-bandpass (Tomasko and Smith, 1982; West et al, 1983) combined with their forward-scattering behavior makes it very unlikely that the particles are spherical. The nonsphericity contributes to the uncertainty about the radii of the particles, but it is thought that the average radius is several tenths of a micron.

Rages, K.↗
NASA NTRS2004

MIT Haystack Observatory Analysis Center Report

The data from twenty years of the NCEP numerical weather model have been used to calculate the IMF hydrostatic mapping function for several sites distributed in latitude from -66 degrees to +78 degrees. Comparison of heights estimated with the NMF hydrostatic mapping function demonstrates that using NMFh results in height errors at annual and semi-annual periods with amplitudes as large as approximately 8 mm and 4 mm, respectively, when data down to 5 degrees are included. The errors are smallest at the equator and increase towards the poles.

Niell, Arthur↗
NASA NTRS2014

Assessing the Effect of Spaceflight on the Propensity for Astronauts to Develop Disk Herniation

BACKGROUND: A previous study [1] reported that the instantaneous risk of developing a Herniated Nucleus Pulposus (HNP) was higher in astronauts who had flown at least one mission, as compared with those in the corps who had not yet flown. However, the study only analyzed time to HNP after the first mission (if any) and did not account for the possible effects of multiple missions. While many HNP's occurred well into astronauts' careers or in some cases years after retirement, the higher incidence of HNPs relatively soon after completion of space missions appears to indicate that spaceflight may lead to an increased risk of HNP. The purpose of this study was to support the Human System Risk Board assessment of back pain, evaluate the risk of injury due to dynamic loads, and update the previous dataset which contained events up to December 31, 2006. METHODS: Data was queried from the electronic medical record and provided by the Lifetime Surveillance of Astronaut Health. The data included all 330 United States astronauts from 1959 through February 2014. Cases were confirmed by Magnetic Resonance Imaging, Computerized Tomography, Myelography, operative findings, or through clinical confirmation with a neurologist or neurosurgeon. In this analysis, astronauts who had an HNP at selection into the corps or had an HNP diagnosis prior to their first flight were excluded. The statistical challenges in using the available data to separate effects of spaceflight from those associated with general astronaut training and lifestyle on propensity to develop HNPs are many. The primary outcome is reported date of first HNP (if any), which at best is only an approximation to the actual time of occurrence. To properly analyze this data with a survival analysis model, one must also know the "exposure" time - i.e. how long each astronaut has been at risk for developing an HNP. If an HNP is reported soon after a mission, is it mission caused or general? If the former, exposure time should be counted from the time of landing (assuming the risk of HNP occurring during a mission is zero). If the latter, exposure time should be counted from the time of selection; however we can't directly know which one to use. In our analysis we take both of these possibilities into account with a competing risks model, wherein two distinct stochastic processes are going on: TG = time to HNP (general) and TS = time to HNP (spaceflight). Under this type of model, whichever of these occurs first is what we observe; in other words we don't observe TG or TS, only min(TG, TS). Here, we parameterized the model in terms of separate Weibull hazard functions for each process and estimated all parameters using maximum likelihood. In addition, we allowed for a "cured fraction" - i.e. the possibility that some astronauts may never develop an HNP. RESULTS: Results will include a depiction of the competing hazard functions as well as a probability curve for the relative likelihood that an HNP reported at a given time after a mission is actually mission caused. Other factors, such as dwell time in microgravity and vehicle landing environment will be explored. An overall assessment as to whether spaceflight truly exacerbates HNP risk will be made.

Feiveson, A. H.↗