Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “HARMONIC POTENTIAL”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
NASA NTRS1976

Expansion of the gravitational potential with computerized Poisson series

The paper describes a recursive formulation for the expansion of the gravitational potential valid for both the tesseral and zonal harmonics. The expansion is primarily in rectangular coordinates, but the classical orbit elements or equinoctial orbit elements can be easily substituted. The equations of motion for the zonal harmonics in both classical and equinoctial orbital elements are described in a form which will result in closed-form expressions for the first-order perturbations. In order to achieve this result, the true longitude or true anomaly have to be used as independent variables.

Broucke, R.↗
NASA NTRS1980

Lattice-statics approach to fracture and plasticity

The lattice-statics approach to the problem of providing a quantitative description of the microstructure near a defect is outlined. The method deals with an effectively infinite lattice and hence avoids interface problems; the lattice-statics method is not restricted by the range of the potential. The lattice-statics solution requires a harmonic solution for the lattice which is shown to be always obtainable by suitable Fourier transforms. Applications of the method to fracture and dislocations are discussed and areas that warrant further research are specified.

Esterling, D. M.↗
NASA NTRS1986

Vertical structure of the wind field during the Special Observing Period I of the Global Weather Experiment

The vertical structure of the global atmosphere is analyzed for selected periods of the Special Observing Period I (SOP-I) for the Global Weather Experiment (GWE). The analysis consists of projection of the stream-function and velocity potential at 200 and 850 mb on spherical harmonics and of the wind and height fields on the normal modes of a linearized form of the primitive equations for a basic state at rest. The kinematic vertical structure is discussed in terms of correlation coefficients of the 200 mb and 850 mb winds and analysis of the internal and external normal modes of the primitive equations. The reliability of the results is checked by applying the same analysis methods to data sets obtained from three different institutions: Geophysical Fluid Dynamics Laboratory (GFDL), European Center for Medium Range Weather Forecasting (ECMWF), and Goddard Laboratory for the Atmospheres (GLA). It is found that, on a global basis, vertically reversing circulations are as important as the equivalent barotropic structures. For the verticaly reversing components, the gravity and mixed Rossby-gravity modes have contributions of the same order of magnitude as those of the Rossby modes in tropical latitudes.

Paegle, J. N.↗
NASA NTRS1990

Correction and update to 'The earth's C21 and S21 gravity coefficients and the rotation of the core'

Wahr (1987) used satellite constraints on C21 and S21 (the spherical harmonic coefficients of the earth's external gravitational potential) to infer certain properties of the core and core/mantle boundary. It is shown here, contrary to the claim by Wahr, that it is not possible to use C21 and S21 to placed bounds on the core's products of inertia. As a result, Wahr's constraints on the l = 2, m = 1 components of the core/mantle boundary topography and on the angular orientation of the inner core with respect to the earth's rotation vector are not justified. On the other hand, Wahr's conclusions about the time-averaged torque between the core and mantle and the resulting implications for the l = 2, m = 1 components of fluid pressure at the top of the core can be strengthened. Wahr's conclusions about the mean rotational flow in the core are unaltered.

Wahr, John↗
NASA NTRS2001

Ab Initio and Improved Empirical Potentials for the Calculation of the Anharmonic Vibrational States and Intramolecular Mode Coupling of N-Methylacetamide

The second-order Moller-Plesset ab initio electronic structure method is used to compute points for the anharmonic mode-coupled potential energy surface of N-methylacetamide (NMA) in the trans(sub ct) configuration, including all degrees of freedom. The vibrational states and the spectroscopy are directly computed from this potential surface using the Correlation Corrected Vibrational Self-Consistent Field (CC-VSCF) method. The results are compared with CC-VSCF calculations using both the standard and improved empirical Amber-like force fields and available low temperature experimental matrix data. Analysis of our calculated spectroscopic results show that: (1) The excellent agreement between the ab initio CC-VSCF calculated frequencies and the experimental data suggest that the computed anharmonic potentials for N-methylacetamide are of a very high quality; (2) For most transitions, the vibrational frequencies obtained from the ab initio CC-VSCF method are superior to those obtained using the empirical CC-VSCF methods, when compared with experimental data. However, the improved empirical force field yields better agreement with the experimental frequencies as compared with a standard AMBER-type force field; (3) The empirical force field in particular overestimates anharmonic couplings for the amide-2 mode, the methyl asymmetric bending modes, the out-of-plane methyl bending modes, and the methyl distortions; (4) Disagreement between the ab initio and empirical anharmonic couplings is greater than the disagreement between the frequencies, and thus the anharmonic part of the empirical potential seems to be less accurate than the harmonic contribution;and (5) Both the empirical and ab initio CC-VSCF calculations predict a negligible anharmonic coupling between the amide-1 and other internal modes. The implication of this is that the intramolecular energy flow between the amide-1 and the other internal modes may be smaller than anticipated. These results may have important implications for the anharmonic force fields of peptides, for which N-methylacetamide is a model.

Gregurick, Susan K.↗
NASA NTRSDate not supplied

Uncertainty Quantification of Inducer Natural Frequency using Conditional Assessment of Modeling and Modal Testing of Simpler Systems

The low pressure fuel pump inducer of the new Space Launch System RS25 core stage engine operates in a highly complex environment that substantially affects its modal characteristics. Some of the more important effects are fluid-added mass resulting from operation within a light liquid (Hydrogen), and the magnification of this effect due to tight tip clearance. Since higher order cavitation has been identified as a significant harmonic driver, knowledge of the natural frequency of potentially excitable modes is critical for safe operation, but this frequency cannot be measured during the severe operational environment. A comprehensive testing and analysis program has therefore been performed over the last four years to identify the nominal value and uncertainty of the frequency by modeling and testing four simpler structures which share some of the characteristics of the operational inducer. This testing was used to assess and adjust modeling techniques and excellent correlation was achieved. Identification of the uncertainty in the inducer frequency itself was still problematic, however. This difficulty led to an investigation of Bayesian uncertainty quantification techniques, and to the application of the relatively simple technique of Multi-Variate Normal conditional distributions to calculate the inducer natural frequency uncertainty. Assumptions on prior distributions of uncertainty of the fluid-added mass and tip clearance effect are initially applied to models of each of the simple structures and the inducer itself, and these uncertainties are propagated to generate natural frequencies using design of experiments. Simple response surfaces are then created from this data in order to calculate a Covariance Matrix relating all of these natural frequencies. Finally, the results from modal test of the simple structures are considered to be observations and used to calculate the conditional variance of the desired inducer frequencies. As this method is less rigorous than more complicated Bayesian methods reported in the literature, a conservative factor is applied to the result, but the resulting uncertainty is still significantly less than originally estimated and will greatly assist certification of the inducer for use in the engine.

Uncertainty Quantification↗
NASA NTRSDate not supplied

Uncertainty Quantification of Inducer Eigenvalues using Conditional Assessment of Models and Modal Test of Simpler Systems

The low pressure fuel pump inducer of the new Space Launch System RS25 core stage engine operates in a highly complex environment that substantially affects its modal characteristics. Some of the more important effects are fluid-added mass resulting from operation within a light liquid (Hydrogen), and the magnification of this effect due to tight tip clearance. Since higher order cavitation has been identified as a significant harmonic driver, knowledge of the natural frequency of potentially excitable modes is critical for safe operation, but this frequency cannot be measured during the severe operational environment. A comprehensive testing and analysis program has therefore been performed over the last four years to identify the nominal value and uncertainty of the frequency by modeling and testing four simpler structures which share some of the characteristics of the operational inducer. This testing was used to assess and adjust modeling techniques and excellent correlation was achieved. Identification of the uncertainty in the inducer frequency itself was still problematic, however. This difficulty led to an investigation of Bayesian uncertainty quantification techniques, and to the application of the relatively simple technique of Multi-Variate Normal conditional distributions to calculate the inducer natural frequency uncertainty. Assumptions on prior distributions of uncertainty of the fluid-added mass and tip clearance effect are initially applied to models of each of the simple structures and the inducer itself, and these uncertainties are propagated to generate natural frequencies using design of experiments. Simple response surfaces are then created from this data in order to calculate a Covariance Matrix relating all of these natural frequencies. Finally, the results from modal test of the simple structures are considered to be observations and used to calculate the conditional variance of the desired inducer frequencies. As this method is less rigorous than more complicated Bayesian methods reported in the literature, a conservative factor is applied to the result, but the resulting uncertainty is still significantly less than originally estimated and will greatly assist certification of the inducer for use in the engine.

Uncertainty Quantification↗
DOE OSTI2025

SympGNNs: Symplectic Graph Neural Networks for identifying high-dimensional Hamiltonian systems and node classification

Existing neural network models to learn Hamiltonian systems, such as SympNets, although accurate in low-dimensions, struggle to learn the correct dynamics for high-dimensional many-body systems. Herein, we introduce Symplectic Graph Neural Networks (SympGNNs) that can effectively handle system identification in high-dimensional Hamiltonian systems, as well as node classification. SympGNNs combine symplectic maps with permutation equivariance, a property of graph neural networks. Specifically, we propose two variants of SympGNNs: (i) G-SympGNN and (ii) LA-SympGNN, arising from different parameterizations of the kinetic and potential energy. We demonstrate the capabilities of SympGNN on two physical examples: a 40-particle coupled Harmonic oscillator, and a 2000-particle molecular dynamics simulation in a two-dimensional Lennard-Jones potential. Furthermore, we demonstrate the performance of SympGNN in the node classification task, achieving accuracy comparable to the state-of-the-art. Finally, we also empirically show that SympGNN can overcome the oversmoothing and heterophily problems, two key challenges in the field of graph neural networks.

Deep learning↗
DOE OSTI2023

Machine-learning Kohn–Sham potential from dynamics in time-dependent Kohn–Sham systems

Abstract The construction of a better exchange-correlation potential in time-dependent density functional theory (TDDFT) can improve the accuracy of TDDFT calculations and provide more accurate predictions of the properties of many-electron systems. Here, we propose a machine learning method to develop the energy functional and the Kohn–Sham potential of a time-dependent Kohn–Sham (TDKS) system is proposed. The method is based on the dynamics of the Kohn–Sham system and does not require any data on the exact Kohn–Sham potential for training the model. We demonstrate the results of our method with a 1D harmonic oscillator example and a 1D two-electron example. We show that the machine-learned Kohn–Sham potential matches the exact Kohn–Sham potential in the absence of memory effect. Our method can still capture the dynamics of the Kohn–Sham system in the presence of memory effects. The machine learning method developed in this article provides insight into making better approximations of the energy functional and the Kohn–Sham potential in the TDKS system.

97 MATHEMATICS AND COMPUTING↗
NASA NTRSDate not supplied

Measuring and Utilizing Gravity-Gradient Induced Torques on Future Gravity Recovery Missions

This research is a novel investigation into the use of newly-available relative angular acceleration measurements between a spacecraft utilized for gravity recovery missions and an internally located test mass. The gravity-gradient torque equation for zonal spherical harmonic order n is formulated for a known gravitational potential field, and through simulations it is proven that the Simplified-Gravitational Reference Sensor will be sensitive to the gravity-gradient induced torques acting on its test mass. The full conference paper will demonstrate how the presented gravity-gradient torque equation and the measured relative angular acceleration between the spacecraft and test mass will improve the accuracy of the gravity field models acquired by future gravity recovery missions by directly measuring the drag acting on the spacecraft with a single accelerometer.

gravity recovery↗
DOE OSTI2025

Applying Linear Optics from Closed Orbits Modulation for finding beam-based alignment of harmonic sextupoles

A fast and accurate beam-based alignment (BBA) method for harmonic sextupoles has been devel oped at NSLS-II using Linear Optics from Closed Orbit Modulation (LOCOM). The approach excites the beam with simultaneous sine-wave signals at two fast correctors, chosen with an appropriate phase advance to span the full betatron phase space. This strategy suppresses systematic errors from hysteresis, while additional errors from orbit drift and power-supply calibration are minimized by the short measurement time (a few minutes) and reliance solely on beam-based current-to-field conver sion of the sextupoles, with hysteresis explicitly included. Simulations indicate that Linear Optics from Closed Orbits (LOCO) combined with 0.5 mm local orbit bumps can resolve relative sextupole field offsets (∆k₂) with precision better than 10% of k₂, reflecting to beam-based alignment (BBA) accuracy finer than 50 µm. Moreover, employing machine-learning-optimized local orbit bumps en hances sextupole-induced quadrupole signals in a deterministic manner and maintains orbit stability under large sextupole strength variations (±40%). The proposed method is experimentally validated through proof-of-principle measurements at NSLS-II, demonstrating its potential as a fast, precise, and robust tool for harmonic sextupole alignment.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Vibrational heat-bath configuration interaction with semistochastic perturbation theory using harmonic oscillator or VSCF modals

Vibrational heat-bath configuration interaction (VHCI)—a selected configuration interaction technique for vibrational structure theory—has recently been developed in two independent works [J. H. Fetherolf and T. C. Berkelbach, J. Chem. Phys. 154, 074104 (2021); A. U. Bhatty and K. R. Brorsen, Mol. Phys. 119, e1936250 (2021)], where it was shown to provide accuracy on par with the most accurate vibrational structure methods with a low computational cost. Here, we eliminate the memory bottleneck of the second-order perturbation theory correction using the same (semi)stochastic approach developed previously for electronic structure theory. This allows us to treat, in an unbiased manner, much larger perturbative spaces, which are necessary for high accuracy in large systems. Stochastic errors are easily controlled to be less than 1 cm−1. We also report two other developments: (i) we propose a new heat-bath criterion and an associated exact implicit sorting algorithm for potential energy surfaces expressible as a sum of products of one-dimensional potentials; (ii) we formulate VHCI to use a vibrational self-consistent field (VSCF) reference, as opposed to the harmonic oscillator reference configuration used in previous reports. Our tests are done with quartic and sextic force fields, for which we find that with VSCF, the minor improvements to accuracy are outweighed by the higher computational cost associated the matrix element evaluations. We expect VSCF-based VHCI to be important for more general potential representations, for which the harmonic oscillator basis function integrals are no longer analytic.

Chemistry↗
NASA NTRS1991

High accuracy switched-current circuits using an improved dynamic mirror

The switched-current technique, a recently developed circuit approach to analog signal processing, has emerged as an alternative/compliment to the well established switched-capacitor circuit technique. High speed switched-current circuits offer potential cost and power savings over slower switched-capacitor circuits. Accuracy improvements are a primary concern at this stage in the development of the switched-current technique. Use of the dynamic current mirror has produced circuits that are insensitive to transistor matching errors. The dynamic current mirror has been limited by other sources of error including clock-feedthrough and voltage transient errors. In this paper we present an improved switched-current building block using the dynamic current mirror. Utilizing current feedback the errors due to current imbalance in the dynamic current mirror are reduced. Simulations indicate that this feedback can reduce total harmonic distortion by as much as 9 dB. Additionally, we have developed a clock-feedthrough reduction scheme for which simulations reveal a potential 10 dB total harmonic distortion improvement. The clock-feedthrough reduction scheme also significantly reduces offset errors and allows for cancellation with a constant current source. Experimental results confirm the simulated improvements.

Zweigle, G.↗
DOE OSTI2022

Supervisory Algorithm for Autonomous Hemodynamic Management Systems

Future military conflicts will require new solutions to manage combat casualties. The use of automated medical systems can potentially address this need by streamlining and augmenting the delivery of medical care in both emergency and combat trauma environments. However, in many situations, these systems may need to operate in conjunction with other autonomous and semi-autonomous devices. Management of complex patients may require multiple automated systems operating simultaneously and potentially competing with each other. Supervisory controllers capable of harmonizing multiple closed-loop systems are thus essential before multiple automated medical systems can be deployed in managing complex medical situations. The objective for this study was to develop a Supervisory Algorithm for Casualty Management (SACM) that manages decisions and interplay between two automated systems designed for management of hemorrhage control and resuscitation: an automatic extremity tourniquet system and an adaptive resuscitation controller. SACM monitors the required physiological inputs for both systems and synchronizes each respective system as needed. We present a series of trauma experiments carried out in a physiologically relevant benchtop circulatory system in which SACM must recognize extremity or internal hemorrhage, activate the corresponding algorithm to apply a tourniquet, and then resuscitate back to the target pressure setpoint. SACM continues monitoring after the initial stabilization so that additional medical changes can be quickly identified and addressed, essential to extending automation algorithms past initial trauma resuscitation into extended monitoring. Overall, SACM is an important step in transitioning automated medical systems into emergency and combat trauma situations. Future work will address further interplay between these systems and integrate additional medical systems.

42 ENGINEERING↗
NASA NTRS1974

Error enhancement in geomagnetic models derived from scalar data

Models of the main geomagnetic field are generally represented by a scalar potential gamma expanded in a finite number of spherical harmonics. Very accurate observations of F were used, but indications exist that the accuracy of models derived from them is considerably lower. One problem is that F does not always characterize gamma uniquely. It is not clear whether such ambiguity can be encountered in deriving gamma from F in geomagnetic surveys, but there exists a connection, due to the fact that the counterexamples of Backus are related to the dipole field, while the geomagnetic field is dominated by its dipole component. If the models are recovered with a finite error (i.e. they cannot completely fit the data and consequently have a small spurious component), this connection allows the error in certain sequences of harmonic terms in gamma to be enhanced without unduly large effects on the fit of F to the model.

Stern, D. P.↗
NASA NTRS1977

Satellite Power System (SPS) microwave subsystem impacts and benefits

The impacts and benefits to society of the microwave subsystem resulting from the developing, construction and operating of a space solar power to earth, electric power delivery system are presented and discussed. The primary benefit (usable energy) is conveyed mainly in the fundamental frequency portion of the RF radiation beam that is intercepted and converted to electric power output. The small fraction of the microwave and other electromagnetic energy that does not end up in the electric utility grid, yields most of the subsystem impacts. The impacts range from harmonics and noise radiated by the transmitting antenna, through potential interference with ionospheric communications and navigation caused by the power beam heating the ionosphere, to the potential large land area requirements for the rectennas and low level microwave radiation around the rectennas. Additional benefits range from a very low level of waste heat liberated and lack of atmospheric emissions including noise while operating to having no residual ionizing radiation from the rectenna when it is deactivated.

Dickinson, R. M.↗