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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
NASA NTRS2008

Retrieval of Mid-tropospheric CO2 Directly from AIRS Measurements

We apply the method of Vanishing Partial Derivatives (VPD) to AIRS spectra to retrieve daily the global distribution of CO2 at a nadir geospatial resolution of 90 km x 90 km without requiring a first-guess input beyond the global average. Our retrievals utilize the 15 (micro)m band radiances, a complex spectral region. This method may be of value in other applications, in which spectral signatures of multiple species are not well isolated spectrally from one another.

vanishing partial derivatives↗
DOE OSTI2021

A Novel Feature of Valence Quark Distributions in Hadrons

Examining the evolution of the maximum of valence quark distribution, qV, weighted by Bjorken x, h(x,t)≡xqV(x,t), it is observed that h(x,t) at the peak becomes a one-parameter function; h(xp,t)=Φ(xp(t)), where xp is the position of the peak, t=logQ2, and Q2 is the resolution scale. This observation is used to derive a new model-independent relation which connects the partial derivative of the valence parton distribution functions (PDFs) in xp to the quantum chromodynamics (QCD) evolution equation through the xp derivative of the logarithm of the function Φ(xp(t)). A numerical analysis of this relation using empirical PDFs results in an observation of the exponential form of the Φ(xp(t))=h(xp,t)=CeDxp(t) for leading to next-to-next leading order approximations of PDFs for the range of Q2, covering four orders in magnitude. The exponent, D, of the observed “height-position” correlation function converges with the increase in the order of approximation. This result holds for all the PDF sets considered. A similar relation is observed also for the pion valence quark distribution, indicating that the obtained relation may be universal for any non-singlet partonic distribution. The observed “height-position” correlation is used also to indicate that no finite number of exchanges can describe the analytic behavior of the valence quark distribution at the position of the peak at fixed Q2.

Leon, Christopher↗
DOE OSTI2020

An extended trajectory-mechanics approach for calculating two-phase flow paths

A technique originating in quantum dynamics is used to derive a trajectory-based, semi-analytical solution for two-phase flow. The partial differential equation governing the evolution of the aqueous phase is equivalent to a family of ordinary differential equations defined along a path through the porous medium. The trajectories may be found by solving the differential equations directly or by post-processing the output of a numerical solution to the full set of governing equations. The trajectories, which differ from conventional streamlines, are found to bend downward in response to gravitational forces. The curvature is more pronounced as the dip of the porous layer containing the flow increases. Subtle changes in the relative permeability curve can lead to significant variations in the trajectories. The ordinary differential equation for the trajectory provides an expression for the travel time along the path. The expression produces a semi-analytical approximation to the model parameter sensitivities, the partial derivatives of the travel times with respect to changes in the permeability model. The semi-analytical trajectory-based sensitivities generally agree with those computed using a numerical reservoir simulator and a perturbation approach. The sensitivities are useful in tomographic imaging algorithms designed to estimate the spatial variation in permeability within a porous medium using multiphase observations.

58 GEOSCIENCES↗
NASA NTRS1992

Conservative-variable average states for equilibrium gas multi-dimensional fluxes

Modern split component evaluations of the flux vector Jacobians are thoroughly analyzed for equilibrium-gas average-state determinations. It is shown that all such derivations satisfy a fundamental eigenvalue consistency theorem. A conservative-variable average state is then developed for arbitrary equilibrium-gas equations of state and curvilinear-coordinate fluxes. Original expressions for eigenvalues, sound speed, Mach number, and eigenvectors are then determined for a general average Jacobian, and it is shown that the average eigenvalues, Mach number, and eigenvectors may not coincide with their classical pointwise counterparts. A general equilibrium-gas equation of state is then discussed for conservative-variable computational fluid dynamics (CFD) Euler formulations. The associated derivations lead to unique compatibility relations that constrain the pressure Jacobian derivatives. Thereafter, alternative forms for the pressure variation and average sound speed are developed in terms of two average pressure Jacobian derivatives. Significantly, no additional degree of freedom exists in the determination of these two average partial derivatives of pressure. Therefore, they are simultaneously computed exactly without any auxiliary relation, hence without any geometric solution projection or arbitrary scale factors. Several alternative formulations are then compared and key differences highlighted with emphasis on the determination of the pressure variation and average sound speed. The relevant underlying assumptions are identified, including some subtle approximations that are inherently employed in published average-state procedures. Finally, a representative test case is discussed for which an intrinsically exact average state is determined. This exact state is then compared with the predictions of recent methods, and their inherent approximations are appropriately quantified.

Iannelli, G. S.↗
DOE OSTI2025

Revisiting the First, Second and Combined Laws of Thermodynamics

The present study revisits the first, second, and combined laws of thermodynamics by introducing partial internal energy in the first law, entropy production and partial entropy in entropy change, and partial volume in the context of work exchange. These developments yield a more rigorous and internally consistent thermodynamic framework, within which chemical potential is defined as the partial derivative of internal energy with respect to composition at constant entropy and volume, and is related to partial internal energy, partial entropy, and partial volume.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Load-Displacement Relation and Gap Distribution Between Rough Surfaces: Partial Differential Equations Approach

We develop a theoretical model to predict the load-displacement relation and probability density function for gaps between contacting rough surfaces. We derive partial differential equations from the previous model (Joe et al., 2018), and extend them to the non-adhesive contact problem. The predictions of the present theory are compared with numerical results using the Green's function molecular dynamics algorithm, and a good agreement is obtained.

adhesion↗
DOE OSTI2021

Efficient ptychographic phase retrieval via a matrix-free Levenberg-Marquardt algorithm

The phase retrieval problem, where one aims to recover a complex-valued image from far-field intensity measurements, is a classic problem encountered in a range of imaging applications. Modern phase retrieval approaches usually rely on gradient descent methods in a nonlinear minimization framework. Calculating closed-form gradients for use in these methods is tedious work, and formulating second order derivatives is even more laborious. Additionally, second order techniques often require the storage and inversion of large matrices of partial derivatives, with memory requirements that can be prohibitive for data-rich imaging modalities. We use a reverse-mode automatic differentiation (AD) framework to implement an efficient matrix-free version of the Levenberg-Marquardt (LM) algorithm, a longstanding method that finds popular use in nonlinear least-square minimization problems but which has seen little use in phase retrieval. Furthermore, we extend the basic LM algorithm so that it can be applied for more general constrained optimization problems (including phase retrieval problems) beyond just the least-square applications. Since we use AD, we only need to specify the physics-based forward model for a specific imaging application; the first and second-order derivative terms are calculated automatically through matrix-vector products, without explicitly forming the large Jacobian or Gauss-Newton matrices typically required for the LM method. We demonstrate that this algorithm can be used to solve both the unconstrained ptychographic object retrieval problem and the constrained “blind” ptychographic object and probe retrieval problems, under the popular Gaussian noise model as well as the Poisson noise model. We compare this algorithm to state-of-the-art first order ptychographic reconstruction methods to demonstrate empirically that this method outperforms best-in-class first-order methods: it provides excellent convergence guarantees with (in many cases) a superlinear rate of convergence, all with a computational cost comparable to, or lower than, the tested first-order algorithms.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Disentangling the physical parameters of gaseous nebulae and galaxies

Abstract We present an analysis to disentangle the connection between physical quantities that characterize the conditions of ionized H ii regions – metallicity (Z), ionization parameter (U), and electron density (ne) – and the global stellar mass (M*) and specific star formation rate (sSFR = SFR/M*) of the host galaxies. We construct composite spectra of galaxies at 0.027 ≤ z ≤ 0.25 from Sloan Digital Sky Survey, separating the sample into bins of M* and sSFR, and estimate the nebular conditions from the emission-line flux ratios. Specially, metallicity is estimated from the direct method based on the faint auroral lines [O iii]λ4363 and [O ii]λλ7320,7330. The derived metallicities cover a range of 12 + log O/H ∼ 7.6–8.9. It is found that the three nebular parameters, Z, U, and ne, are tightly correlated with the location in the M*–sSFR plane. With simple physically motivated ansätze, we derive scaling relations between these physical quantities by performing multiregression analysis. In particular, we find that U is primarily controlled by sSFR, as U∝sSFR0.43, but also depends significantly on both Z and ne. The derived partial dependence of U∝Z−0.36 is weaker than the apparent correlation (U∝Z−1.52). The partial dependence of U on ne is found to be $U \propto n_\mathrm{e}^{-0.29}$. The scaling relations we derived are in agreement with predictions from theoretical models and observations of each aspect of the link between these quantities. Our results provide a useful set of equations to predict the nebular conditions and emission-line fluxes of galaxies in semi-analytic models.

Kashino, Daichi↗
NASA NTRS1976

Chemical equilibrium

The entropy of a gas system with the number of particles subject to external control is maximized to derive relations between the thermodynamic variables that obtain at equilibrium. These relations are described in terms of the chemical potential, defined as equivalent partial derivatives of entropy, energy, enthalpy, free energy, or free enthalpy. At equilibrium, the change in total chemical potential must vanish. This fact is used to derive the equilibrium constants for chemical reactions in terms of the partition functions of the species involved in the reaction. Thus the equilibrium constants can be determined accurately, just as other thermodynamic properties, from a knowledge of the energy levels and degeneracies for the gas species involved. These equilibrium constants permit one to calculate the equilibrium concentrations or partial pressures of chemically reacting species that occur in gas mixtures at any given condition of pressure and temperature or volume and temperature.

Source record↗
NASA NTRS1976

C super 1: Compatible interpolation over a triangle

An elementary derivation and a complete description is given of an algorithm for interpolation over a plane triangle when function values and first partial derivatives are given at the vertices. The method gives C1 continuity with neighboring triangles. The interpolation method is mathematically equivalent to one that has been discussed previously in the literature; however, the algorithmic form given here is more efficient than has previously been described.

Lawson, C. L.↗
NASA NTRS2004

Reducing Errors by Use of Redundancy in Gravity Measurements

A methodology for improving gravity-gradient measurement data exploits the constraints imposed upon the components of the gravity-gradient tensor by the conditions of integrability needed for reconstruction of the gravitational potential. These constraints are derived from the basic equation for the gravitational potential and from mathematical identities that apply to the gravitational potential and its partial derivatives with respect to spatial coordinates. Consider the gravitational potential in a Cartesian coordinate system {x1,x2,x3}. If one measures all the components of the gravity-gradient tensor at all points of interest within a region of space in which one seeks to characterize the gravitational field, one obtains redundant information. One could utilize the constraints to select a minimum (that is, nonredundant) set of measurements from which the gravitational potential could be reconstructed. Alternatively, one could exploit the redundancy to reduce errors from noisy measurements. A convenient example is that of the selection of a minimum set of measurements to characterize the gravitational field at n3 points (where n is an integer) in a cube. Without the benefit of such a selection, it would be necessary to make 9n3 measurements because the gravitygradient tensor has 9 components at each point. The problem of utilizing the redundancy to reduce errors in noisy measurements is an optimization problem: Given a set of noisy values of the components of the gravity-gradient tensor at the measurement points, one seeks a set of corrected values - a set that is optimum in that it minimizes some measure of error (e.g., the sum of squares of the differences between the corrected and noisy measurement values) while taking account of the fact that the constraints must apply to the exact values. The problem as thus posed leads to a vector equation that can be solved to obtain the corrected values.

Kulikov, Igor↗
DOE OSTI2018

On Defense Strategies for Recursive System of Systems Using Aggregated Correlations

We consider a class of Recursive System of Systems (RSoS), wherein systems are recursively defined and the basic systems at finest level are composed of discrete cyber and physical components. This formulation captures the models of systems that are adaptively refined to account for their varied structure, such as sites of a heterogenous distributed computing infrastructure. The components can be disrupted by cyber of physical means, and can also be suitably reinforced to survive the attacks. We characterize the disruptions at each level of recursion using aggregate failure correlation functions that specify the conditional failure probability of RSoS given the failure of an individual system at that level. At finest levels, the survival probabilities of basic systems satisfy simple product-form, first order differential conditions using the multiplier functions, which generalize conditions based on contest success functions and statistical independence of component survival probabilities. We formulate the problem of ensuring the performance of RSoS as a game between an attacker and a provider, each with a utility function composed of a survival probability term and a cost term, both expressed in terms of the number of basic system components attacked and reinforced. We derive sensitivity functions at Nash Equilibrium that highlight the dependence of survival probabilities of systems on cost terms, correlation functions, and their partial derivatives. We apply these results to a simplified model of distributed high-performance computing infrastructures.

Rao, Nageswara↗
NASA NTRS1978

The relation between temporal and spatial stability in three-dimensional flows

An analysis is presented of the nonparallel spatial or temporal stability of three-dimensional incompressible, isothermal boundary-layer flows taking into account the transverse velocity component as well as the axial and crossflow variations of the mean flow. The method of multiple scales is used to derive partial differential equations that describe the axial and crossflow variations of the disturbance amplitude, phase and wavenumbers. This equation is used to derive the expressions that relate the temporal and spatial instabilities. These relations are functions of the complex group velocities. Moreover, this equation is used to derive the expression that relates the spatial amplification in any direction to a calculated amplification in any other direction. These relations are verified by numerical results obtained for two- and three-dimensional disturbances in two- and three-dimensional flows.

Nayfeh, A. H.↗
DOE OSTI2018

Linear fractional differential equations and eigenfunctions of fractional differential operators

Eigenfunctions associated with Riemann–Liouville and Caputo fractional differential operators are obtained by imposing a restriction on the fractional derivative parameter. Those eigenfunctions can be used to express the analytical solution of some linear sequential fractional differential equations. As a first application, we discuss analytical solutions for the so-called fractional Helmholtz equation with one variable, obtained from the standard equation in one dimension by replacing the integer order derivative by the Riemann–Liouville fractional derivative. A second application consists of an initial value problem for a fractional wave equation in two dimensions in which the integer order partial derivative with respect to the time variable is replaced by the Caputo fractional derivative. The classical Mittag-Leffler functions are important in the theory of fractional calculus because they emerge as solutions of fractional differential equations. Starting with the solution of a specific fractional differential equation in terms of these functions, we find a way to express the exponential function in terms of classical Mittag-Leffler functions. A remarkable characteristic of this relation is that it is true for any value of the parameter n appearing in the definition of the functions, i.e., we have an infinite family of different expressions for e{sup x} in terms of classical Mittag-Leffler functions.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1989

Error analysis of finite element solutions for postbuckled cylinders

A general method of error analysis and correction is investigated for the discrete finite-element results for cylindrical shell structures. The method for error analysis is an adaptation of the method of successive approximation. When applied to the equilibrium equations of shell theory, successive approximations derive an approximate continuous solution from the discrete finite-element results. The advantage of this continuous solution is that it contains continuous partial derivatives of an order higher than the basis functions of the finite-element solution. Preliminary numerical results are presented in this paper for the error analysis of finite-element results for a postbuckled stiffened cylindrical panel modeled by a general purpose shell code. Numerical results from the method have previously been reported for postbuckled stiffened plates. A procedure for correcting the continuous approximate solution by Newton's method is outlined.

Sistla, Rajaram↗
DOE OSTI2025

The absence of ray-effects in the discrete ordinate solution to the transport equation in spherical coordinates in multi-dimensions

The streaming operator of the transport equation is derived for spherical coordinates by starting from Newton’s second law for a free particle expressed in spherical coordinates. We shall show that the partial derivatives with respect to the velocity variables of the particle, which are absent in the Cartesian coordinate formulation of the transport equation, arise in the spherical coordinate formulation of the transport equation in response to the centrifugal force which prevents a free particle from ‘falling into the origin’ of the coordinate system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1979

An efficient approach for computing the geometrical optics field reflected from a numerically specified surface

An approach for computing the geometrical optic fields reflected from a numerically specified surface is presented. The approach includes the step of deriving a specular point and begins with computing the reflected rays off the surface at the points where their coordinates, as well as the partial derivatives (or equivalently, the direction of the normal), are numerically specified. Then, a cluster of three adjacent rays are chosen to define a 'mean ray' and the divergence factor associated with this mean ray. Finally, the ampilitude, phase, and vector direction of the reflected field at a given observation point are derived by associating this point with the nearest mean ray and determining its position relative to such a ray.

Mittra, R.↗
DOE OSTI2016

Accurate derivative evaluation for any Grad–Shafranov solver

We present a numerical scheme that can be combined with any fixed boundary finite element based Poisson or Grad–Shafranov solver to compute the first and second partial derivatives of the solution to these equations with the same order of convergence as the solution itself. At the heart of our scheme is an efficient and accurate computation of the Dirichlet to Neumann map through the evaluation of a singular volume integral and the solution to a Fredholm integral equation of the second kind. Our numerical method is particularly useful for magnetic confinement fusion simulations, since it allows the evaluation of quantities such as the magnetic field, the parallel current density and the magnetic curvature with much higher accuracy than has been previously feasible on the affordable coarse grids that are usually implemented.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗