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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 1,315 records · Page 73
All sourcesNASA NTRSDOE OSTI
NASA NTRS2024

Shape Servoing of Deformable Objects Using Model Estimation and Barrier Lyapunov Function

An adaptive shape servoing control method is presented in this article to manipulate a deformable object into a desired shape in 3-D. A finite-point-based representation of the deformable object is used and the deformation Jacobian matrix is approximated using Fourier series basis functions. The unknown parameters of the deformation Jacobian are learned by using the velocity applied to a control point on the object and corresponding change of positions of the points describing the entire object. An integral concurrent learning (ICL)-based parameter update law is designed along with a constrained controller to satisfy the state constraints on the motion of the control point using Barrier Lyapunov function analysis. ICL-based parameter update law uses data history of velocity and corresponding positions of the points along with their current values. An efficient algorithm to update the history stack using singular value maximization is proposed based on the structure of the regressor matrix. Simulations using a physical simulator and experiments using a robot platform are performed to validate the performance of the proposed controller on two different deformable objects.

Vrithik Raj Guthikonda↗
NASA NTRS1982

Structural tailoring of engine blades (STAEBL)

A mathematical optimization procedure was developed for the structural tailoring of engine blades and was used to structurally tailor two engine fan blades constructed of composite materials without midspan shrouds. The first was a solid blade made from superhybrid composites, and the second was a hollow blade with metal matrix composite inlays. Three major computerized functions were needed to complete the procedure: approximate analysis with the established input variables, optimization of an objective function, and refined analysis for design verification.

Platt, C. E.↗
DOE OSTI2020

The cosmological bootstrap: inflationary correlators from symmetries and singularities

Scattering amplitudes at weak coupling are highly constrained by Lorentz invariance, locality and unitarity, and depend on model details only through coupling constants and the particle content of the theory. For example, four-particle amplitudes are analytic for contact interactions and have simple poles with appropriately positive residues for tree-level exchange. In this paper, we develop an understanding of inflationary correlators which parallels that of flat-space scattering amplitudes. Specifically, we study slow-roll inflation with weak couplings to extra massive particles, for which all correlation functions are controlled by an approximate conformal symmetry on the boundary of the spacetime. After systematically classifying all possible contact terms in de Sitter space, we derive an analytic expression for the four-point function of conformally coupled scalars mediated by the tree-level exchange of massive scalars. Conformal symmetry implies that the correlator satisfies a pair of differential equations with respect to spatial momenta, encoding bulk time evolution in purely boundary terms. The absence of unphysical singularities (and the correct normalization of physical ones) completely fixes this correlator. Moreover, a “spin-raising” operator relates it to the correlators associated with the exchange of particles with spin, while “weight-shifting” operators map it to the four-point function of massless scalars. We explain how these de Sitter four-point functions can be perturbed to obtain inflationary three-point functions. Using our formalism, we reproduce many classic results in the literature, such as the three-point function of slow-roll inflation, and provide a complete classification of all inflationary three- and four-point functions arising from weakly broken conformal symmetry. Remarkably, the inflationary bispectrum associated with the exchange of particles with arbitrary spin is completely characterized by the soft limit of the simplest scalar-exchange four-point function of conformally coupled scalars and a series of contact terms. Finally, we demonstrate that the inflationary correlators contain flat-space scattering amplitudes via a suitable analytic continuation of the external momenta, which can also be directly connected with the signals for particle production seen in the squeezed limit.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Optimal Portfolio Management in a Modified Constant Elasticity of Variance Model

We investigate the optimal management of a portfolio consisting of a risk asset and a risk-free bond. The asset dynamics is specified by the M-CEV model. Assuming that the investor has a power utility function, we derive an explicit analytical portfolio-management formula that contains confluent hypergeometric functions. The asymptotic form of the proposed portfolio management strategy is obtained, as well as approximate formulas consisting only of elementary functions. We additionally present an application of our results in the context of algorithmic statistical-arbitrage strategies.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Non-Gaussianity in the weak lensing correlation function likelihood – implications for cosmological parameter biases

ABSTRACT We study the significance of non-Gaussianity in the likelihood of weak lensing shear two-point correlation functions, detecting significantly non-zero skewness and kurtosis in 1D marginal distributions of shear two-point correlation functions in simulated weak lensing data. We examine the implications in the context of future surveys, in particular LSST, with derivations of how the non-Gaussianity scales with survey area. We show that there is no significant bias in 1D posteriors of Ωm and σ8 due to the non-Gaussian likelihood distributions of shear correlations functions using the mock data (100 deg2). We also present a systematic approach to constructing approximate multivariate likelihoods with 1D parametric functions by assuming independence or more flexible non-parametric multivariate methods after decorrelating the data points using principal component analysis (PCA). While the use of PCA does not modify the non-Gaussianity of the multivariate likelihood, we find empirically that the 1D marginal sampling distributions of the PCA components exhibit less skewness and kurtosis than the original shear correlation functions. Modelling the likelihood with marginal parametric functions based on the assumption of independence between PCA components thus gives a lower limit for the biases. We further demonstrate that the difference in cosmological parameter constraints between the multivariate Gaussian likelihood model and more complex non-Gaussian likelihood models would be even smaller for an LSST-like survey. In addition, the PCA approach automatically serves as a data compression method, enabling the retention of the majority of the cosmological information while reducing the dimensionality of the data vector by a factor of ∼5.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1988

The ridged plains as a possible landing site for the Mars sample return mission

Differences in the shape and density of crater size-frequency distribution curves have been interpreted as indicators of different impactor populations. Within the inner solar system two production populations are seen. The signature of the first is recorded in the heavily cratered regions of the Moon, Mercury, and Mars and displays a multi-sloped distribution curve which cannot be described by a power law function at all crater diameters. The signature of the second population is seen in the lightly cratered lunar and Martian plains, where the size-frequency distribution curve can be approximated by a power law function of -3 differential slope in the 8- to 70-km diameter range. Based on data obtained from the Apollo lunar samples and crater flux estimates, the first population is believed to have been emplaced during the period of heavy bombardment which, at least on the Moon, ended about 3.8 BY ago. The second population has dominated the cratering record since that time and is commonly assumed to be due to comets and asteroids.

Barlow, Nadine G.↗
NASA NTRS1992

Flexure-torsion behavior of sheat-deformable beams with applications to aircraft wing sections

The flexure-torsion behavior of a tip-loaded cantilever beam with an arbitrary cross-section is studied using Saint-Venant's semi-inverse method along with a power series solution for the out-of-plane flexure and torsion warping functions. The power series coefficients are determined by solving a set of variationally derived linear algebraic equations. For complex cross-sections, the calculated coefficients represent a 'best-fit approximation' to the exact warping function. The resulting warping functions are used to determine the cross-section properties including: the torsion constant, shear deformation coefficients, shear correction factors, and the shear center location. A new linear relation is developed for locating the shear center using the Saint-Venant flexure and torsion solutions, where the twist rate is zero about the line of shear centers (not the centroidal axis). Numerical results are presented for a triangular cross-section and different NACA airfoils.

Kosmatka, J. B.↗
NASA NTRS1997

Locating the Discontinuities of a Bounded Function by the Partial Sums of its Fourier Series I: Periodical Case

A key step for some methods dealing with the reconstruction of a function with jump discontinuities is the accurate approximation of the jumps and their locations. Various methods have been suggested in the literature to obtain this valuable information. In the present paper, we develop an algorithm based on identities which determine the jumps of a 2(pi)-periodic bounded not-too-highly oscillating function by the partial sums of its differentiated Fourier series. The algorithm enables one to approximate the locations of discontinuities and the magnitudes of jumps of a bounded function. We study the accuracy of approximation and establish asymptotic expansions for the approximations of a 27(pi)-periodic piecewise smooth function with one discontinuity. By an appropriate linear combination, obtained via derivatives of different order, we significantly improve the accuracy. Next, we use Richardson's extrapolation method to enhance the accuracy even more. For a function with multiple discontinuities we establish simple formulae which "eliminate" all discontinuities of the function but one. Then we treat the function as if it had one singularity following the method described above.

Kvernadze, George↗
DOE OSTI2024

Effect of XC functionals and dispersion corrections on the DFT‐computed structural and vibrational properties of SrCl 2 –NaCl and ZrF 4 –LiF

Density functional theory (DFT) calculations were performed to examine the impact of exchange–correlation (XC) functionals and van der Waals corrections (specifically the D3 method) on the structural and vibrational properties of the SrCl 2 –NaCl and ZrF 4 –LiF salt systems. Multiple XC functionals, including the local density approximation (LDA), the generalized gradient approximation using the Perdew–Burke–Ernzerhof (PBE) model, and its modified form suitable for solids (PBEsol), the dispersion-corrected PBE-D3 and PBEsol-D3, were considered. Of these functionals, LDA was found to exhibit the highest degree of error, while PBEsol and PBE-D3 displayed the least error. Underestimated lattice parameters compared with experimental values were observed to result in higher force constants, leading to an overprediction of vibrational frequencies. Conversely, an overestimation of lattice parameters was associated with lower vibrational frequencies. The methodology presented in this study yielded results that are in good agreement with experiment, irrespective of the method (finite differences vs. density functional perturbation theory) employed for calculating infrared and Raman spectra. It was further demonstrated that for alkali halides with weak Raman scattering, utilizing a supercell constructed from primitive cells better predicts Raman features than does the use of conventional cells.

Raman↗
DOE OSTI2017

How Well Can the M06 Suite of Functionals Describe the Electron Densities of Ne, Ne 6+ , and Ne 8+ ?

The development of better approximations to the exact exchange-correlation functional is essential to the accuracy of density functionals. A recent study indicated that functionals with few parameters offer more accurate electron densities than recently developed many-parameter functionals for light closed-shell atomic systems. In this study, we calculated electron densities, their gradients, and Laplacians of Ne, Ne 6+ , and Ne 8+ using 19 electronic structure methods, and we compared them to the CCSD reference results. Two basis sets, namely, aug-cc-pωCV5Z and aug-cc-pV5Z, are utilized in the calculations. We found that the choice of basis set has a significant impact on the errors and rankings of some of the selected methods. The errors of electron densities, their gradients, and Laplacians calculated with the aug-cc-pV5Z basis set are substantially reduced, especially for Minnesota density functionals, as compared to the results using the aug-cc-pωCV5Z basis set (a larger basis set utilized in earlier work (Medvedev et al. Science2017, 355, 49–52)). The rankings of the M06 suite of functionals among the 19 methods are greatly improved with the aug-cc-pV5Z basis set. Furthermore, the performances of the HSE06, BMK, MN12-L, and MN12-SX functionals are also improved with the aug-cc-pV5Z basis set. The M06 suite of functionals is capable of providing accurate electron densities, gradients, and Laplacians using the aug-cc-pV5Z basis set, and thus it is suitable for a wide range of applications in chemistry and physics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1992

Approximate Solutions Of Equations Of Steady Diffusion

Rigorous analysis yields reliable criteria for "best-fit" functions. Improved "curve-fitting" method yields approximate solutions to differential equations of steady-state diffusion. Method applies to problems in which rates of diffusion depend linearly or nonlinearly on concentrations of diffusants, approximate solutions analytic or numerical, and boundary conditions of Dirichlet type, of Neumann type, or mixture of both types. Applied to equations for diffusion of charge carriers in semiconductors in which mobilities and lifetimes of charge carriers depend on concentrations.

Edmonds, Larry D.↗
DOE OSTI2019

Comparison of first principles and semi-empirical models of the structural and electronic properties of Ge{sub 1−x}Sn{sub x} alloys

We present and compare three distinct atomistic models—based on first principles and semi-empirical approaches—of the structural and electronic properties of Ge{sub 1−x}Sn{sub x} alloys. Density functional theory calculations incorporating Heyd–Scuseria–Ernzerhof (HSE), local density approximation (LDA) and modified Becke–Johnson (mBJ) exchange-correlation functionals are used to perform structural relaxation and electronic structure calculations for a series of Ge{sub 1−x}Sn{sub x} alloy supercells. Based on HSE calculations, a semi-empirical valence force field (VFF) potential and sp{sup 3}s{sup ∗} tight-binding (TB) Hamiltonian are parametrised. Comparing the HSE, LDA+mBJ and VFF+TB models, and using the HSE results as a benchmark, we demonstrate that: (1) LDA+mBJ calculations provide an accurate first principles description of the electronic structure at reduced computational cost, (2) the VFF potential is sufficiently accurate to circumvent the requirement to perform first principles structural relaxation, and (3) VFF+TB calculations provide a good quantitative description of the alloy electronic structure in the vicinity of the band edges. Our results also emphasise the importance of Sn-induced band mixing in determining the nature of the conduction band structure of Ge{sub 1−x}Sn{sub x} alloys. The theoretical models and benchmark calculations we present inform and enable predictive, computationally efficient and scalable atomistic calculations for disordered alloys and nanostructures. This provides a suitable platform to underpin further theoretical investigations of the properties of this emerging semiconductor alloy.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

QCD factorization with multihadron fragmentation functions

Important aspects of quantum chromodynamics (QCD) factorization theorems are the properties of the objects involved that can be identified as universal. One example is that the definitions of parton densities and fragmentation functions for different types of hadrons differ only in the identity of the nonperturbative states that form the matrix elements, but are otherwise the same. This leads to independence of perturbative calculations on nonperturbative details of external states. It also lends support to interpretations of correlation functions as encapsulations of intrinsic nonperturbative properties. These characteristics have usually been presumed to still hold true in fragmentation functions even when the observed nonperturbative state is a small-mass cluster of n hadrons rather than simply a single isolated hadron. However, the multidifferential aspect of cross sections that rely on these latter types of fragmentation functions complicates the treatment of kinematical approximations in factorization derivations. That has led to recent claims that the operator definitions for fragmentation functions need to be modified from the single hadron case with nonuniversal prefactors. With such concerns as our motivation, we retrace the steps for factorizing the unpolarized semi-inclusive e + e − annihilation cross section and confirm that they do apply without modification to the case of a small-mass multihadron observed in the final state. In particular, we verify that the standard operator definition from single hadron fragmentation, with its usual prefactor, remains equally valid for the small-mass n -hadron case with the same hard parts and evolution kernels, whereas the more recently proposed definitions with nonuniversal prefactors do not. Our results reaffirm the reliability of most past phenomenological applications of dihadron fragmentation functions. Published by the American Physical Society 2025

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1992

A comparison of polynomial approximations and artificial neural nets as response surfaces

Artificial neural nets and polynomial approximations were used to develop response surfaces for several test problems. Based on the number of functional evaluations required to build the approximations and the number of undetermined parameters associated with the approximations, the performance of the two types of approximations was found to be comparable. A rule of thumb is developed for determining the number of nodes to be used on a hidden layer of an artificial neural net, and the number of designs needed to train an approximation is discussed.

Carpenter, William C.↗
NASA NTRS1993

Effect of design selection on response surface performance

Artificial neural nets and polynomial approximations were used to develop response surfaces for several test problems. Based on the number of functional evaluations required to build the approximations and the number of undetermined parameters associated with the approximations, the performance of the two types of approximations was found to be comparable. A rule of thumb is developed for determining the number of nodes to be used on a hidden layer of an artificial neural net and the number of designs needed to train an approximation is discussed.

Carpenter, William C.↗
DOE OSTI2018

Simple Models of Lateral Heterostructures

General analytical expressions for densities of states of a lateral heterostructure, formed by the contact of two square semi-infinite lattices with single-band and two-band spectra, were obtained in the tight-binding approximation by the Green’s function method. The semi-elliptical density of states was used for numerical estimates, and the model of two interacting dimers was proposed to estimate the charge transfer. Application of this approach to description of lateral epitaxial and graphene-like heterostructures is discussed.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

Approximating and incorporating model uncertainty in an inversion for seismic source functions: Preliminary results

We present preliminary work on propagating model uncertainty into the estimation of the time domain source time functions of the seismic source. Our method is based on an estimated model covariance function, which we estimate from the data. The model covariance function is then used to construct a suite of surrogate Greens functions which we use in a Monte Carlo type inversion scheme. The result is a probability density function of the six independent source time functions, each of which corresponds to an individual component of the seismic moment tensor. We compare the results of our method with those obtained using a computationally expensive finite difference Monte Carlo method and find that our new method produces results that are deficient in low frequencies. The advantage of our new method, which we term the Karhunen-Loeve Monte Carlo (KLMC) method, is that is several orders of magnitude faster than our current method, which uses a finite difference scheme to produce the suite of forward models.

42 ENGINEERING↗