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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.

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At least 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
NASA NTRS2003

Analytical and Experimental Study of Near-Threshold Interactions Between Crack Closure Mechanisms

The results of an analytical closure model that considers contributions and interactions between plasticity-, roughness-, and oxide-induced crack closure mechanisms are presented and compared with experimental data. The analytical model is shown to provide a good description of the combined influences of crack roughness, oxide debris, and plasticity in the near-threshold regime. Furthermore, analytical results indicate that closure mechanisms interact in a non-linear manner such that the total amount of closure is not the sum of closure contributions for each mechanism.

Newman, John A.↗
NASA NTRS2012

Calculation of Sensitivity Derivatives in an MDAO Framework

During gradient-based optimization of a system, it is necessary to generate the derivatives of each objective and constraint with respect to each design parameter. If the system is multidisciplinary, it may consist of a set of smaller "components" with some arbitrary data interconnection and process work ow. Analytical derivatives in these components can be used to improve the speed and accuracy of the derivative calculation over a purely numerical calculation; however, a multidisciplinary system may include both components for which derivatives are available and components for which they are not. Three methods to calculate the sensitivity of a mixed multidisciplinary system are presented: the finite difference method, where the derivatives are calculated numerically; the chain rule method, where the derivatives are successively cascaded along the system's network graph; and the analytic method, where the derivatives come from the solution of a linear system of equations. Some improvements to these methods, to accommodate mixed multidisciplinary systems, are also presented; in particular, a new method is introduced to allow existing derivatives to be used inside of finite difference. All three methods are implemented and demonstrated in the open-source MDAO framework OpenMDAO. It was found that there are advantages to each of them depending on the system being solved.

Moore, Kenneth T.↗
NASA NTRS2013

Analytical Algorithms to Quantify the Uncertainty in Remaining Useful Life Prediction

This paper investigates the use of analytical algorithms to quantify the uncertainty in the remaining useful life (RUL) estimate of components used in aerospace applications. The prediction of RUL is affected by several sources of uncertainty and it is important to systematically quantify their combined effect by computing the uncertainty in the RUL prediction in order to aid risk assessment, risk mitigation, and decisionmaking. While sampling-based algorithms have been conventionally used for quantifying the uncertainty in RUL, analytical algorithms are computationally cheaper and sometimes, are better suited for online decision-making. While exact analytical algorithms are available only for certain special cases (for e.g., linear models with Gaussian variables), effective approximations can be made using the the first-order second moment method (FOSM), the first-order reliability method (FORM), and the inverse first-order reliability method (Inverse FORM). These methods can be used not only to calculate the entire probability distribution of RUL but also to obtain probability bounds on RUL. This paper explains these three methods in detail and illustrates them using the state-space model of a lithium-ion battery.

Sankararaman, Shankar↗
NASA NTRS2020

Non-linear Least Square Fitting Technique for the Determination of Field Line Resonance Frequency in Ground Magnetometer Data: Application to Remote Sensing of Plasmaspheric Mass Density

The accurate determination of the Field Line Resonance (FLR) frequency of a resonating geomagnetic field line is necessary to remotely monitor the plasmaspheric mass density during geomagnetic storms and quiet times alike. Under certain assumptions the plasmaspheric mass density at the equator is inversely proportional to the square of the FLR frequency. The most common techniques to determine the FLR frequency from ground magnetometer measurements are the amplitude ratio and phase difference techniques, both based on geomagnetic field observations at two latitudinally separated ground stations along the same magnetic meridian. Previously developed automated techniques have used statistical methods to pinpoint the FLR frequency using the amplitude ratio and phase difference calculations. We now introduce a physics-based automated technique, using non-linear least square fitting of the ground magnetometer data to the analytical resonant wave equations, that reproduces the wave characteristics on the ground, and from those determine the FLR frequency. One of the advantages of the new technique is the estimation of physics-based errors of the FLR frequency, and as a result of the equatorial plasmaspheric mass density. We present analytical results of the new technique, and test it using data from the Inner-Magnetospheric Array for Geospace Science (iMAGS) ground magnetometer chain along the coast of Chile and the east coast of the United States. We compare the results with the results of previously published statistical automated techniques.

A. Boudouridis↗
DOE OSTI2012

Moving from Descriptive to Causal Analytics: Case Study of the Health Indicators Warehouse

The KDD community has described a multitude of methods for knowledge discovery on large datasets. We consider some of these methods and integrate them into an analyst s workflow that proceeds from the data-centric descriptive level to the model-centric causal level. Examples of the workflow are shown for the Health Indicators Warehouse, which is a public database for community health information that is a potent resource for conducting data science on a medium scale. We demonstrate the potential of HIW as a source of serious visual analytics efforts by showing correlation matrix visualizations, multivariate outlier analysis, multiple linear regression of Medicare costs, and scatterplot matrices for a broad set of health indicators. We conclude by sketching the first steps toward a causal dependence hypothesis.

Schryver, Jack C.↗
DOE OSTI2014

Observation of transient electric fields in particle-in-cell simulation of capacitively coupled discharges

The analytical prediction of the presence of transient electric field regions between the bulk plasma and sheath edge in radio frequency capacitively coupled plasma (RF-CCP) discharges has been reported by Kaganovich [Phys. Rev. Lett. 89, 265006 (2002)]. In this paper, we have used the semi-infinite particle-in-cell (PIC) simulation technique to verify the theoretical prediction for the existence of transient electric field in the linear regime; it is shown that the PIC simulation results are in good agreement with the results predicted by analytical model in this regime. It is also demonstrated that the linear theory overestimates the transient electric field as one moves from linear to weakly nonlinear regime. The effect of applied RF current density and electron temperature on evolution of transition field and phase mixing regime has been explored.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Driven resonant current amplification in self-organized plasma configurations with uniform λ and plasma pressure confinement

Driven resonant current amplification in uniform λ=$^{μoJ}_{B}$, self-organized plasma configurations with plasma pressure confinement is studied. This work extends previous analyses of force-free states (J ∥ B) to equilibria with plasma pressure gradients (∇P = J × B ≠ 0). An analytical treatment shows that in equilibria with uniform λ and a plasma pressure gradient that varies linearly with poloidal magnetic flux, driven resonances are either downshifted or upshifted from their force-free values. Additionally, a modification of off resonance current amplification is observed in pressure confining equilibria. Computational results add support to analytical predictions, and also include driven resonance behavior with equilibrium profiles not considered analytically. Furthermore, these results suggest not only persistence, but also modification of driven resonant current amplification in sustained spheromak configurations with plasma pressure confinement when compared to force-free states. By providing a basis for the existence of driven, high current amplification, pressure confining equilibria, this work provides insight into the accessibility of sustained spheromak states of most interest for potential fusion energy applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Application of Linear Additive Conditions for Near-Infrared Diffuse Reflectance Absorption Spectroscopy

Determining the homogeneity of material mixing in real time during product processing is critical for quality control. According to the Kubelka–Munk (K-M) function of diffuse reflectance absorption spectrum, absorbance (A) is approximately linear with the content of the components when the sample scattering coefficient (S) is in a certain range. The S is determined by the particle size of powder samples. Therefore, this study determined particle size ranges that satisfy linear additivity in near-infrared diffuse reflectance spectroscopy (NIRDRS). Thus, the proposed NIRDRS analysis technique can be used to determine the homogeneity of material mixes or analyze the percentages of the components in the mixture. In this study, vitamin B3 and vitamin C were used for preparing mixed samples with varying percentages. The experimental results revealed that linear additivity is satisfied when the powder particle size is in the range of less than 280, 280–450, and 450–900 μm. When the confidence level is 0.01, the actual mixed spectra are not significantly different from the “simulated mixed spectra” constructed by linear addition, with their relative deviations less than 1.08%. The absolute errors of the actual and analytic percentages were within 2.98% for each component in the mixtures. The above conclusions also hold for sorghum, which has a complex material composition. Statistical models cannot analyze the percentages of components in the mixture. In contrast, linear addition and direct calibration approach avoids the use of a large number of samples for statistical modeling and analyze the percentages of mixed samples. Meanwhile, it can be used to discriminate and analyze the material mixing uniformity by building a mechanistic model.

Feng, Zhiyue↗
DOE OSTI2012

Radiation Hydrodynamics Test Problems with Linear Velocity Profiles

As an extension of the works of Coggeshall and Ramsey, a class of analytic solutions to the radiation hydrodynamics equations is derived for code verification purposes. These solutions are valid under assumptions including diffusive radiation transport, a polytropic gas equation of state, constant conductivity, separable flow velocity proportional to the curvilinear radial coordinate, and divergence-free heat flux. In accordance with these assumptions, the derived solution class is mathematically invariant with respect to the presence of radiative heat conduction, and thus represents a solution to the compressible flow (Euler) equations with or without conduction terms included. With this solution class, a quantitative code verification study (using spatial convergence rates) is performed for the cell-centered, finite volume, Eulerian compressible flow code xRAGE developed at Los Alamos National Laboratory. Simulation results show near second order spatial convergence in all physical variables when using the hydrodynamics solver only, consistent with that solver's underlying order of accuracy. However, contrary to the mathematical properties of the solution class, when heat conduction algorithms are enabled the calculation does not converge to the analytic solution.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1980

Control of a large flexible platform in orbit

The dynamics and attitude and shape control of a large thin flexible platform in orbit are studied. Attitude and shape control is assumed to result from actuators placed perpendicular to the main surface and one edge and their effect on the rigid body and elastic modes is modelled to first order. The equations of motion are linearized about nominal orientations where the undeformed plate follows either the local vertical or local horizontal. The stability of the uncontrolled system is investigated analytically. Once controllability is established for a set of actuator locations, control law development is based on pole placement, decoupling, and linear optimal control theory.

Reddy, A. S. S. R.↗
NASA NTRS1986

Analytical comparison of transient and steady state visual evoked cortical potentials

To better describe the linear-dynamic properties of the human visual-cortical response system, transient and steady state Visual Evoked Response Potentials (VERP) were observed. The stimulus presentation device provided both the evoking stimulus (flickering or pulsing lights) and a video task display. The steady state stimulus was modulated by a complex, ten frequency, sum-of-sines, wave. The transient VERP was the time-locked average of the EEG to a series of narrow light pulses (pulse width of 10 msec). The Fourier transform of the averaged pulses had properties that approximate band limited white noise, i.e., a flat spectrum over the frequency region spanned by the 10 summed sines. The Fourier transform of both the steady state and the transient evoked potentials resulted in transfer that are equivalent and therefore comparable. To investigate the effects of task loading on evoked potentials, a grammatical reasoning task was provided. Results support the relevancy of continued application of a systems engineering approach for describing neurosensory functioning.

Junker, A. M.↗
DOE OSTI2021

Heat transport in liquid water from first-principles and deep neural network simulations

In this work, we compute the thermal conductivity of water within linear response theory from equilibrium molecular dynamics simulations, by adopting two different approaches. In one, the potential energy surface (PES) is derived on the fly from the electronic ground state of density functional theory (DFT) and the corresponding analytical expression is used for the energy flux. In the other, the PES is represented by a deep neural network (DNN) trained on DFT data, whereby the PES has an explicit local decomposition and the energy flux takes a particularly simple expression. By virtue of a gauge invariance principle, established by Marcolongo, Umari, and Baroni, the two approaches should be equivalent if the PES were reproduced accurately by the DNN model. We test this hypothesis by calculating the thermal conductivity, at the GGA (PBE) level of theory, using the direct formulation and its DNN proxy, finding that both approaches yield the same conductivity, in excess of the experimental value by approximately 60%. Besides being numerically much more efficient than its direct DFT counterpart, the DNN scheme has the advantage of being easily applicable to more sophisticated DFT approximations, such as meta-GGA and hybrid functionals, for which it would be hard to derive analytically the expression of the energy flux. We find in this way that a DNN model, trained on meta-GGA (SCAN) data, reduces the deviation from experiment of the predicted thermal conductivity by about 50%, leaving the question open as to whether the residual error is due to deficiencies of the functional, to a neglect of nuclear quantum effects in the atomic dynamics, or, likely, to a combination of the two.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Surface Analysis Insight Note: Observations relating to photoemission peak shapes, oxidation state, and chemistry of titanium oxide films

It is common practice to describe the coordination of metal atoms in a binding configuration with their nearest neighbors in terms of oxidation state, a measure by which the number of electrons redistributed between atoms forming chemical bonds. In XPS terms, change to an oxidation state is commonly inferred by correlating photoemission signal with binding energy. The assumption, when classifying photoemission signals into distinct spectral shapes, is that a distribution of intensities shifted to lower binding energy is evidence of a reduction in oxidation state. In this Insight note, we raise the prospect that changes in photoemission peak shape may occur without obvious changes, determined by XPS in stoichiometry for a material. It is well known that TiO 2 measured by XPS yields reproducible Ti 2p photoemission peaks. However, on exposing TiO 2 to ion beams, Ti 2p photoemission evolves to complex distributions in intensity, which are particularly difficult to analyze by traditional fitting of bell-shaped curves to these data. For these reasons, in this Insight note, a thin film of TiO 2 deposited on a silicon substrate is chosen for analysis by XPS and linear algebraic techniques. Alterations in spectral shapes created from modified TiO 2 , which might be interpreted as the change in oxidation state, are assessed in terms of relative proportions of titanium to oxygen. It is found through detailed analysis of spectra that quantification by XPS, using procedures routinely used in practice, is not in accord with the typical interpretations of photoemission shapes. The data processing methods used and results presented in this work are of particular relevance to elucidating fundamental phenomena governing the surface evolution of materials-enabled energy processes where cyclic/non-steady usage changes the nature of bonding, especially in the presence of contaminants.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1994

Experimental and analytical study on fluid whirl and fluid whip modes

Fluid whirl and fluid whip are rotor self-excited, lateral vibrations which occur due to rotor interactions with the surrounding fluid. There exist various modes of fluid whirl and fluid whip. These modes are close to rotor modes corresponding to free vibrations (based on the linear model). Small differences are due to nonlinearities in the system. This paper presents experimental and analytical results on the lowest modes of fluid whirls and fluid whip. Examples of rotors supported in fluid lubricated bearings show the variations of rotor deflection amplitudes and phases in the whirl and whip modes with changes of rotative speeds and/or changes in lumped mass locations along the shaft.

Muszynska, Agnes↗
DOE OSTI2024

Efficiently evaluating loop integrals in the EFTofLSS using QFT integrals with massive propagators

We develop a new way to analytically calculate loop integrals in the Effective Field Theory of Large Scale-Structure. Previous available methods show severe limitations beyond the one-loop power spectrum due to analytical challenges and computational and memory costs. Our new method is based on fitting the linear power spectrum with cosmology-independent functions that resemble integer powers of quantum field theory massive propagators with complex masses. A remarkably small number of them is sufficient to reach enough accuracy. Similarly to former approaches, the cosmology dependence is encoded in the coordinate vector of the expansion of the linear power spectrum in our basis. We first produce cosmology-independent tensors where each entry is the loop integral evaluated on a given combination of basis vectors. For each cosmology, the evaluation of a loop integral amounts to contracting this tensor with the coordinate vector of the linear power spectrum. The 3-dimensional loop integrals for our basis functions can be evaluated using techniques familiar to particle physics, such as recursion relations and Feynman parametrization. We apply our formalism to evaluate the one-loop bispectrum of galaxies in redshift space. The final analytical expressions are quite simple and can be evaluated with little computational and memory cost. We show that the same expressions resolve the integration of all one-loop N-point function in the EFTofLSS. This method, which is originally presented here, has already been applied in the first one-loop bispectrum analysis of the BOSS data to constraint ΛCDM parameters and primordial non-Gaussianities [1, 2].

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Different binding modes of Cu and Pb vs. Cd, Ni, and Zn with the trihydroxamate siderophore desferrioxamine B at seawater ionic strength

The solution speciation in seawater of divalent trace metals (Cd, Cu, Ni, Pb, Zn) is dominated by strong, ostensibly metal-specific organic ligands that may play important roles in microbial metal acquisition and/or detoxification processes. We compare the effective stabilities of these metal-organic complexes to the stabilities of their complexes with a model siderophore, desferrioxamine B (DFOB). While metal-DFOB complexation has been studied in various dilute but often moderately coordinating media, for the purpose of this investigation we measured the stability constants in a non-coordinating background electrolyte at seawater ionic strength (0.7 M NaClO4). Potentiometric titrations of single metals (M) were performed in the presence of ligand (L) at different M:L molar ratios, whereupon the stability constants of multiple complexes were simultaneously determined by non-linear regression of the titration curves with FITEQL, using the optimal binding mode for each metal. Cadmium, Ni, and Zn, like trivalent Fe, sequentially form a bi-, tetra-, and hexadentate complex with DFOB as pH increases, consistent with their coordination number of 6 and regular octahedral geometry. Copper has a Jahn-Teller-distorted square-bipyramidal geometry whereas the geometry of Pb is cryptic, involving a range of bond lengths. Supported by a thermodynamic argument, our data suggest that this impedes binding of the third hydroxamate group and that the hexadentate Cu-DFOB and Pb-DFOB complex identified in earlier reports may instead be a deprotonated tetradentate complex. Absence of the hexadentate complex promotes the formation of a dinuclear (bidentate-tetradentate) complex, M2HL2+, albeit not for Pb in 0.7 M NaCl, evidently due to extensive complexation with chloride. Stabilities of the hexadentate Ni-DFOB, Zn-DFOB, and the tetradentate Pb-DFOB complex are nearly equal, yet about 2 orders of magnitude higher and 4 orders of magnitude lower than those of the hexadentate Cd-DFOB and tetradentate Cu-DFOB complex, respectively. Linear free-energy relations defined by the rare earth elements are able to predict stabilities of the Cd, Zn, and one of the Pb complexes, but underestimate those of the Ni and Cu complexes. The comparison with metal-specific organic ligands detected in seawater yields fair agreement for three of the five metals, implying that they could be siderophore-like. The Cd- and Ni-specific ligands are much stronger and may contain quite different functional groups. Calculations with MINEQL incorporating our new stability constants indicate that very high DFOB concentrations would be required to match the extent of metal-organic complexation observed in seawater, however DFOB may well represent a much broader class of structurally related ligands.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1989

A finite-element method for large-amplitude, two-dimensional panel flutter at hypersonic speeds

The nonlinear flutter behavior of a two-dimensional panel in hypersonic flow is investigated analytically. An FEM formulation based unsteady third-order piston theory (Ashley and Zartarian, 1956; McIntosh, 1970) and taking nonlinear structural and aerodynamic phenomena into account is derived; the solution procedure is outlined; and typical results are presented in extensive tables and graphs. A 12-element finite-element solution obtained using an alternative method for linearizing the assumed limit-cycle time function is shown to give predictions in good agreement with classical analytical results for large-amplitude vibration in a vacuum and large-amplitude panel flutter, using linear aerodynamics.

Mei, Chuh↗