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At least 1,135 records · Page 63

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NASA NTRS1996

Buoyancy-Driven Heat Transfer During Application of a Thermal Gradient for the Study of Vapor Deposition at Low Pressure Using and Ideal Gas

A mathematical model has been developed to determine heat transfer during vapor deposition of source materials under a variety of orientations relative to gravitational accelerations. The model demonstrates that convection can occur at total pressures as low as 10-2 mm Hg. Through numerical computation, using physical material parameters of air, a series of time steps demonstrates the development of flow and temperature profiles during the course of vapor deposition. These computations show that in unit gravity vapor deposition occurs by transport through a fairly complicated circulating flow pattern when applying heat to the bottom of the vessel with parallel orientation with respect to the gravity vector. The model material parameters for air predict the effect of kinematic viscosity to be of the same order as thermal diffusivity, which is the case for Prandtl number approx. 1 fluids. Qualitative agreement between experiment and the model indicates that 6-(2-methyl-4-nitroanilino)-2,4-hexadiyn-l-ol (DAMNA) at these pressures indeed approximates an ideal gas at the experiment temperatures, and may validate the use of air physical constants. It is apparent that complicated nonuniform temperature distribution in the vapor could dramatically affect the homogeneity, orientation, and quality of deposited films. The experimental test i's a qualitative comparison of film thickness using ultraviolet-visible spectroscopy on films generated in appropriately oriented vapor deposition cells. In the case where heating of the reaction vessel occurs from the top, deposition of vapor does not normally occur by convection due to a stable stratified medium. When vapor deposition occurs in vessels heated at the bottom, but oriented relative to the gravity vector between these two extremes, horizontal thermal gradients induce a complex flow pattern. In the plane parallel to the tilt axis, the flow pattern is symmetrical and opposite in direction from that where the vessel is positioned vertically. The ground-based experiments are sufficient preliminary tests of theory and should be of significant interest regarding vapor deposited films in microgravity.

Frazier, D. O.↗

NASA NTRS1975

Calculations for interpretation of solar vector magnetograph data

Computer techniques for data analysis of sunspot observations are presented. Photographic spectra were converted to digital form and analyzed. Methods of determining magnetic field strengths, i.e., the Zeeman effect, are discussed. Errors originating with telescope equipment and the magnetograph are treated. Flow charts of test programs and procedures of the data analysis are shown.

Dunn, A. R.↗

DOE OSTI2023

MnEdgeNet for accurate decomposition of mixed oxidation states for Mn XAS and EELS L2,3 edges without reference and calibration

Accurate decomposition of the mixed Mn oxidation states is highly important for characterizing the electronic structures, charge transfer and redox centers for electronic, and electrocatalytic and energy storage materials that contain Mn. Electron energy loss spectroscopy (EELS) and soft X-ray absorption spectroscopy (XAS) measurements of the Mn L2,3 edges are widely used for this purpose. To date, although the measurements of the Mn L2,3 edges are straightforward given the sample is prepared properly, an accurate decomposition of the mix valence states of Mn remains non-trivial. For both EELS and XAS, 2+, 3+, and 4+ reference spectra need to be taken on the same instrument/beamline and preferably in the same experimental session because the instrumental resolution and the energy axis offset could vary from one session to another. To circumvent this hurdle, in this study, we adopted a deep learning approach and developed a calibration-free and reference-free method to decompose the oxidation state of Mn L2,3 edges for both EELS and XAS. A deep learning regression model is trained to accurately predict the composition of the mix valence state of Mn. To synthesize physics-informed and ground-truth labeled training datasets, we created a forward model that takes into account plural scattering, instrumentation broadening, noise, and energy axis offset. With that, we created a 1.2 million-spectrum database with 1-by-3 oxidation state composition ground truth vectors. The library includes a sufficient variety of data including both EELS and XAS spectra. By training on this large database, our convolutional neural network achieves 85% accuracy on the validation dataset. We tested the model and found it is robust against noise (down to PSNR of 10) and plural scattering (up to t/λ = 1). We further validated the model against spectral data that were not used in training. In particular, the model shows high accuracy and high sensitivity for the decomposition of Mn 3 O 4 , MnO, Mn 2 O 3 , and MnO 2 . The accurate decomposition of Mn 3 O 4 experimental data shows the model is quantitatively correct and can be deployed for real experimental data. Our model will not only be a valuable tool to researchers and material scientists but also can assist experienced electron microscopists and synchrotron scientists in the automated analysis of Mn L edge data.

25 ENERGY STORAGE↗

DOE OSTI2017

Pushing configuration-interaction to the limit: Towards massively parallel MCSCF calculations

A new large-scale parallel multiconfigurational self-consistent field (MCSCF) implementation in the open-source NWChem computational chemistry code is presented. The generalized active space approach is used to partition large configuration interaction (CI) vectors and generate a sufficient number of batches that can be distributed to the available cores. Massively parallel CI calculations with large active spaces can be performed. The new parallel MCSCF implementation is tested for the chromium trimer and for an active space of 20 electrons in 20 orbitals, which can now routinely be performed. Unprecedented CI calculations with an active space of 22 electrons in 22 orbitals for the pentacene systems were performed and a single CI iteration calculation with an active space of 24 electrons in 24 orbitals for the chromium tetramer was possible. In conclusion, the chromium tetramer corresponds to a CI expansion of one trillion Slater determinants (914 058 513 424) and is the largest conventional CI calculation attempted up to date.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2013

L70 life prediction for solid state lighting using Kalman Filter and Extended Kalman Filter based models

Solid-state lighting (SSL) luminaires containing light emitting diodes (LEDs) have the potential of seeing excessive temperatures when being transported across country or being stored in non-climate controlled warehouses. They are also being used in outdoor applications in desert environments that see little or no humidity but will experience extremely high temperatures during the day. This makes it important to increase our understanding of what effects high temperature exposure for a prolonged period of time will have on the usability and survivability of these devices. Traditional light sources “burn out” at end-of-life. For an incandescent bulb, the lamp life is defined by B50 life. However, the LEDs have no filament to “burn”. The LEDs continually degrade and the light output decreases eventually below useful levels causing failure. Presently, the TM-21 test standard is used to predict the L70 life of LEDs from LM-80 test data. Several failure mechanisms may be active in a LED at a single time causing lumen depreciation. The underlying TM-21 Model may not capture the failure physics in presence of multiple failure mechanisms. Correlation of lumen maintenance with underlying physics of degradation at system-level is needed. In this paper, Kalman Filter (KF) and Extended Kalman Filters (EKF) have been used to develop a 70-percent Lumen Maintenance Life Prediction Model for LEDs used in SSL luminaires. Ten-thousand hour LM-80 test data for various LEDs have been used for model development. System state at each future time has been computed based on the state space at preceding time step, system dynamics matrix, control vector, control matrix, measurement matrix, measured vector, process noise and measurement noise. The future state of the lumen depreciation has been estimated based on a second order Kalman Filter model and a Bayesian Framework. The measured state variable has been related to the underlying damage using physics-based models. Life prediction of L70 life for the LEDs used in SSL luminaires from KF and EKF based models have been compared with the TM-21 model predictions and experimental data.

Lall, Pradeep↗

DOE OSTI2013

Assaying Used Nuclear Fuel Assemblies Using Lead Slowing-Down Spectroscopy and Singular Value Decomposition

This study investigates the use of a Lead Slowing-Down Spectrometer (LSDS) for the direct and independent measurement of fissile isotopes in light-water nuclear reactor fuel assemblies. The current study applies MCNPX, a Monte Carlo radiation transport code, to simulate the measurement of the assay of the used nuclear fuel assemblies in the LSDS. An empirical model has been developed based on the calibration of the LSDS to responses generated from the simulated assay of six well-characterized fuel assemblies. The effects of self-shielding are taken into account by using empirical basis vectors calculated from the singular value decomposition (SVD) of a matrix containing the self-shielding functions from the assay of assemblies in the calibration set. The performance of the empirical algorithm was tested on version 1 of the Next-Generation Safeguards Initiative (NGSI) used fuel library consisting of 64 assemblies, as well as a set of 27 diversion assemblies, both of which were developed by Los Alamos National Laboratory. The potential for direct and independent assay of the sum of the masses of Pu-239 and Pu-241 to within 2%, on average, has been demonstrated.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2013

Prediction of L70 lumen maintenance and chromaticity for LEDs using extended Kalman filter models

Lall, Pradeep↗

DOE OSTI2021

A Comparison of Machine Learning Methods to Forecast Tropospheric Ozone Levels in Delhi

Ground-level ozone is a pollutant that is harmful to urban populations, particularly in developing countries where it is present in significant quantities. It greatly increases the risk of heart and lung diseases and harms agricultural crops. This study hypothesized that, as a secondary pollutant, ground-level ozone is amenable to 24 h forecasting based on measurements of weather conditions and primary pollutants such as nitrogen oxides and volatile organic compounds. We developed software to analyze hourly records of 12 air pollutants and 5 weather variables over the course of one year in Delhi, India. To determine the best predictive model, eight machine learning algorithms were tuned, trained, tested, and compared using cross-validation with hourly data for a full year. The algorithms, ranked by R2 values, were XGBoost (0.61), Random Forest (0.61), K-Nearest Neighbor Regression (0.55), Support Vector Regression (0.48), Decision Trees (0.43), AdaBoost (0.39), and linear regression (0.39). When trained by separate seasons across five years, the predictive capabilities of all models increased, with a maximum R 2 of 0.75 during winter. Bidirectional Long Short-Term Memory was the least accurate model for annual training, but had some of the best predictions for seasonal training. Out of five air quality index categories, the XGBoost model was able to predict the correct category 24 h in advance 90% of the time when trained with full-year data. Separated by season, winter is considerably more predictable (97.3%), followed by post-monsoon (92.8%), monsoon (90.3%), and summer (88.9%). These results show the importance of training machine learning methods with season-specific data sets and comparing a large number of methods for specific applications.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1974

Multicyclic jet-flap control for alleviation of helicopter blade stresses and fuselage vibration

Results of wind tunnel tests of a 12 meter-diameter-rotor utilizing multicyclic jet-flap control deflection are presented. Analyses of these results are shown, and experimental transfer functions are determined by which optimal control vectors are developed. These vectors are calculated to eliminate specific harmonic bending stresses, minimize rms levels (a measure of the peak-to-peak stresses), or minimize vertical vibratory loads that would be transmitted to the fuselage. Although the specific results and the ideal control vectors presented are for a specific jet-flap driven rotor, the method employed for the analyses is applicable to similar investigations. A discussion of possible alternative methods of multicyclic control by mechanical flaps or nonpropulsive jet-flaps is presented.

Mccloud, J. L., III↗

NASA NTRS1974

Multicyclic jet-flap control for alleviation of helicopter blade stresses and fuselage vibration

Results of wind tunnel tests of a 12-meter-diameter rotor utilizing multicyclic jet-flap control deflection are presented. Analyses of these results are shown, and experimental transfer functions are determined by which optimal control vectors are developed. These vectors are calculated to eliminate specific harmonic bending stresses, minimize rms levels (a measure of the peak-to-peak stresses), or minimize vertical vibratory loads that would be transmitted to the fuselage. Although the specific results and the ideal control vectors presented are for a specific jet-flap driven rotor, the method employed for the analyses is applicable to similar investigations. A discussion of possible alternative methods of multicyclic control by mechanical flaps or nonpropulsive jet-flaps is presented.

Mccloud, J. L., III↗

NASA NTRS1983

Evaluation of aperture cover tank vent nozzles for the IRAS spacecraft

The influence of coefficients for the three axes of the Infrared Astronomical Satellite (IRAS) were established to determine the maximum allowable thrust difference between the two vent nozzles of the aperture cover tank low thrust vent system and their maximum misalignment. Test data generated by flow and torque measurements permitted the selection of two nozzles whose thrust differential was within the limit of the attitude control capability. Based on thrust stand data, a thrust vector misalignment was indicated that was slightly higher than permissible for the worst case, i.e., considerable degradation of the torque capacity of the attitude control system combined with venting of helium at its upper limit. The probability of destabilizing the IRAS spacecraft by activating the venting system appeared to be very low. The selection and mounting of the nozzles have satisfied all the requirements for the safe venting of helium.

Richter, R.↗

NASA NTRS1982

Free vibration analysis of coupled fluid-structure systems

An efficient numerical technique for the eigenvalue solution in the free vibration analysis of compressible fluid-structure coupled systems is presented. The fluid is assumed to be compressible in nature and the incompressible problem is only a special case of the present generalized algorithm. A natural frequency analysis of the structure in the absence of any fluid is achieved by a combined Sturm sequence and inverse iteration technique that computes only the required eigenvalues and vectors. A special inverse iteration scheme is then developed for the coupled system that uses the computed eigenvalues as starting iteration values for convergence. Numerical results obtained by solving a number of standard test cases indicate the pattern of root convergence corresponding to various simplifying assumptions.

Gupta, K. K.↗

NASA NTRS1986

Study of a homotopy continuation method for early orbit determination with the Tracking and Data Relay Satellite System (TDRSS)

A recent mathematical technique for solving systems of equations is applied in a very general way to the orbit determination problem. The study of this technique, the homotopy continuation method, was motivated by the possible need to perform early orbit determination with the Tracking and Data Relay Satellite System (TDRSS), using range and Doppler tracking alone. Basically, a set of six tracking observations is continuously transformed from a set with known solution to the given set of observations with unknown solutions, and the corresponding orbit state vector is followed from the a priori estimate to the solutions. A numerical algorithm for following the state vector is developed and described in detail. Numerical examples using both real and simulated TDRSS tracking are given. A prototype early orbit determination algorithm for possible use in TDRSS orbit operations was extensively tested, and the results are described. Preliminary studies of two extensions of the method are discussed: generalization to a least-squares formulation and generalization to an exhaustive global method.

Smith, R. L.↗

NASA NTRS1986

Parallel processors and nonlinear structural dynamics algorithms and software

A nonlinear structural dynamics program with an element library that exploits parallel processing is under development. The aim is to exploit scheduling-allocation so that parallel processing and vectorization can effectively be treated in a general purpose program. As a byproduct an automatic scheme for assigning time steps was devised. A rudimentary form of the program is complete and has been tested; it shows substantial advantage can be taken of parallelism. In addition, a stability proof for the subcycling algorithm has been developed.

Belytschko, T.↗

NASA NTRS1990

Unsteady viscous flow around a circular cylinder found by the hopscotch scheme on a vector processing machine

The hopscotch scheme is examined to see whether it can compete effectively with implicit schemes for the integration of the Navier-Stokes equations on a vector processing machine. This scheme is stable as long as the Courant number is less than or equal to one and it does not underestimate viscous effects. The accuracy of the scheme is tested on one- and two-dimensional problems whose exact solutions are known. The scheme is then used to simulate flows around a circular cylinder with Reynolds numbers 200, 500 and 1000.

Duffy, Dean G.↗

NASA NTRS1992

Oblique convergence and deformation along the Kuril and Japan trenches

The hypothesis that present-day deformation within the southern Kuril forearc is driven by oblique subduction of the Pacific plate is tested using 397 horizontal slip directions derived from shallow-thrust earthquakes from the Kuril and Japan trenches for the period 1963-1991. A simple two-plate model fits the 397 slip vectors significantly worse than a model that permits strike-slip motion of the southern Kuril forearc relative to the overlying plate. Weighted, mean slip directions along the southern Kuril trench are systematically rotated toward the direction orthogonal to the trench, which implies that the net convergence is partitioned into less oblique subduction and trench-parallel displacement of the southern Kuril forearc. The angular discrepancy between the observed slip direction and the direction predicted by the NUVEL-1 Pacific-North America Euler vector implies that the southern Kuril forearc translates 6-11 mm/yr to the southwest relative to the overlying North American plate. These results are consistent with geologically, geodetically, and seismologically observed convergence at the leading edge of the forearc sliver in southern Kokkaido and with previously inferred extension at the trailing edge of the sliver, which is located at the Bussol Strait at 46 deg N.

Demets, Charles↗

NASA NTRS1993

Techniques for estimating Space Station aerodynamic characteristics

A method was devised and calculations were performed to determine the effects of reflected molecules on the aerodynamic force and moment coefficients for a body in free molecule flow. A procedure was developed for determining the velocity and temperature distributions of molecules reflected from a surface of arbitrary momentum and energy accommodation. A system of equations, based on momentum and energy balances for the surface, incident, and reflected molecules, was solved by a numerical optimization technique. The minimization of a 'cost' function, developed from the set of equations, resulted in the determination of the defining properties of the flow reflected from the arbitrary surface. The properties used to define both the incident and reflected flows were: average temperature of the molecules in the flow, angle of the flow with respect to a vector normal to the surface, and the molecular speed ratio. The properties of the reflected flow were used to calculate the contribution of multiply reflected molecules to the force and moments on a test body in the flow. The test configuration consisted of two flat plates joined along one edge at a right angle to each other. When force and moment coefficients of this 90 deg concave wedge were compared to results that did not include multiple reflections, it was found that multiple reflections could nearly double lift and drag coefficients, with nearly a 50 percent increase in pitching moment for cases with specular or nearly specular accommodation. The cases of diffuse or nearly diffuse accommodation often had minor reductions in axial and normal forces when multiple reflections were included. There were several cases of intermediate accommodation where the addition of multiple reflection effects more than tripled the lift coefficient over the convex technique.

Thomas, Richard E.↗

NASA NTRS1994

Simulated microgravity does not alter epithelial cell adhesion to matrix and other molecules

Microgravity has advantages for the cultivation of tissues with high fidelity; however, tissue formation requires cellular recognition and adhesion. We tested the hypothesis that simulated microgravity does not affect cell adhesion. Human colorectal carcinoma cells were cultured in the NASA Rotating Wall Vessel (RWV) under low shear stress with randomization of the gravity vector that simulates microgravity. After 6 - 7 days, cells were assayed for binding to various substrates and compared to cells grown in standard tissue culture flasks and static suspension cultures. The RWV cultures bound as well to basement membrane proteins and to Carcinoembryonic Antigen (CEA), an intercellular adhesion molecule, as control cultures did. Thus, microgravity does not alter epithelial cell adhesion and may be useful for tissue engineering.

Jessup, J. M.↗