Search NASA⌕ Search

SEARCH · Search NASA

Results for “hyperspherical coordinate system”

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.

11 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

A Hyperspherical Adaptive Sparse-Grid Method for High-Dimensional Discontinuity Detection

This study proposes and analyzes a hyperspherical adaptive hierarchical sparse-grid method for detecting jump discontinuities of functions in high-dimensional spaces. The method is motivated by the theoretical and computational inefficiencies of well-known adaptive sparse-grid methods for discontinuity detection. Our novel approach constructs a function representation of the discontinuity hypersurface of an N-dimensional discontinuous quantity of interest, by virtue of a hyperspherical transformation. Then, a sparse-grid approximation of the transformed function is built in the hyperspherical coordinate system, whose value at each point is estimated by solving a one-dimensional discontinuity detection problem. Due to the smoothness of the hypersurface, the new technique can identify jump discontinuities with significantly reduced computational cost, compared to existing methods. In addition, hierarchical acceleration techniques are also incorporated to further reduce the overall complexity. Rigorous complexity analyses of the new method are provided as are several numerical examples that illustrate the effectiveness of the approach.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Hyperspherical Sparse Approximation Techniques for High-Dimensional Discontinuity Detection

This work proposes a hyperspherical sparse approximation framework for detecting jump discontinuities in functions in high-dimensional spaces. The need for a novel approach results from the theoretical and computational inefficiencies of well-known approaches, such as adaptive sparse grids, for discontinuity detection. Our approach constructs the hyperspherical coordinate representation of the discontinuity surface of a function. Then sparse approximations of the transformed function are built in the hyperspherical coordinate system, with values at each point estimated by solving a one-dimensional discontinuity detection problem. Due to the smoothness of the hypersurface, the new technique can identify jump discontinuities with significantly reduced computational cost, compared to existing methods. Several approaches are used to approximate the transformed discontinuity surface in the hyperspherical system, including adaptive sparse grid and radial basis function interpolation, discrete least squares projection, and compressed sensing approximation. Moreover, hierarchical acceleration techniques are also incorporated to further reduce the overall complexity. In conclusion, rigorous complexity analyses of the new methods are provided, as are several numerical examples that illustrate the effectiveness of our approach.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2011

Weakly bound states of the He-He-Mg trimer

We search for the existence of the weakly bound He-He-Mg molecules. The He-He-Mg molecule is treated as a three-body system. By using hyperspherical coordinates, the Schroedinger equation for the triatomic system is solved in the adiabatic approximation. We obtain that the binding of the three atoms is possible. The binding energies of such molecules are estimated.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2016

Hyperspherical coupled channel calculations of energy and structure of {sup 4}He–{sup 4}He–Li{sup +} and its isotopic combinations

The ground state vibrational energy and spatial features of {sup 4}He–{sup 4}He–Li{sup +} and its triatomic isotopic complexes are studied using the slow variable discretization (SVD) method in the hyperspherical coordinates for the zero total angular momentum. Our results show that the dominant structure of the system is an isosceles triangle with the shorter side associated with the two Li{sup +}–He distances using the sum-of-potential approximation. Corrections caused by the induced dipole-induced dipole interactions on the He atoms are also investigated. The effects are seen to be small and have a minor influence on the binding energy and the structure of present system. The results are also compared with the full ab initio calculations including all the three-body interactions and information of three-body corrections is obtained.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Analytical solutions of a generalized non-central potential in N-dimensions

We present that N-dimensional non-relativistic wave equation for the generalized non-central potential with arbitrary angular momentum is analytically solvable in the hyperspherical coordinates. Asymptotic iteration method as a different approach is applied to obtain N-dimensional energy eigenvalues and the corresponding eigenfunctions. In hyperspherical coordinates, the wave function solutions are obtained in terms of hypergeometric functions and Jacobi polynomials. The bound states of quantum systems under consideration for some special cases, such as Hartmann and Makarov potentials, have been discussed in N-dimensions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Collective motion of two-electron atom in hyperspherical adiabatic approximation

This work is devoted to calculate bound states in the two-electron atoms. The separation of variables has carried out in hyper spherical coordinate system (R, θ, α). Assuming collective motion of the electrons, where the hper angle (α∼π/4) and (θ∼π). The separation of the rotational variables leads to system of differential equations with more simple form as compared with non restricted motion. Energy of doubly excited P{sup e} and D{sup 0} states are calculated semi classically by using quantization condition of Bohr -Somerfield. The results compared with previously published data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

D-dimensional Smorodinsky-Winternitz potential: Coherent state approach

In this study, we construct the coherent states for a particle in the D-dimensional maximally superintegrable Smorodinsky-Winternitz potential. We, first, map the system into 2D harmonic oscillators, second, construct the coherent states of them by evaluating the transition amplitudes. Third, in the Cartesian and the hyperspherical coordinates, we find the coherent states and the stationary states of the original sytem by reduction.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2011

Rashba coupling in three-electron-quantum dot under cylindrical symmetry: An exact solution

The application of quantum dots in advanced technology goes beyond doubt. Here, based on an analytical methodology, investigate a three-electron-quantum dot in the presence of Rashba spin-orbit interaction under cylindrical symmetry. Both eigenvalues and eigenfunctions of the system are reported and the problem is numerically discussed. - Graphical abstract: Display Omitted Highlights: > We theoretically investigate a three-electron-quantum dot in the presence of Rashba spin-orbit interaction by an exact analytical methodology. > By using the Jacobi transformations as well as the hyperspherical coordinates we calculate the wavefunction and the energy spectra. > Our obtained energy relation reveals that the Rashba interaction appears solely in the center of mass section.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Raynal–Revai coefficients for a general kinematic rotation

In a three-body system, transitions between different sets of normalized Jacobi coordinates are described as general kinematic transformations that include an orthogonal or a pseudoorthogonal rotation. For such rotations, the Raynal–Revai coefficients execute a unitary transformation between three-body hyperspherical functions. Recurrence relations that make it possible to calculate the Raynal–Revai coefficients for arbitrary angular momenta are derived on the basis of linearized representations of products of hyperspherical functions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

Roles of dynamical symmetry breaking in driving oblate-prolate transitions of atomic clusters

This paper explores the driving mechanisms for structural transitions of atomic clusters between oblate and prolate isomers. We employ the hyperspherical coordinates to investigate structural dynamics of a seven-atom cluster at a coarse-grained level in terms of the dynamics of three gyration radii and three principal axes, which characterize overall mass distributions of the cluster. Dynamics of gyration radii is governed by two kinds of forces. One is the potential force originating from the interactions between atoms. The other is the dynamical forces called the internal centrifugal forces, which originate from twisting and shearing motions of the system. The internal centrifugal force arising from twisting motions has an effect of breaking the symmetry between two gyration radii. As a result, in an oblate isomer, activation of the internal centrifugal force that has the effect of breaking the symmetry between the two largest gyration radii is crucial in triggering structural transitions into prolate isomers. In a prolate isomer, on the other hand, activation of the internal centrifugal force that has the effect of breaking the symmetry between the two smallest gyration radii is crucial in triggering structural transitions into oblate isomers. Activation of a twisting motion that switches the movement patterns of three principal axes is also important for the onset of structural transitions between oblate and prolate isomers. Based on these trigger mechanisms, we finally show that selective activations of specific gyration radii and twisting motions, depending on the isomer of the cluster, can effectively induce structural transitions of the cluster. The results presented here could provide further insights into the control of molecular reactions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Universal temperature dependence of the ion-neutral-neutral three-body recombination rate

A classical approach based on hyperspherical coordinates is used to derive a first-principles formulation of the the ion-neutral-neutral three-body recombination rate, A + + A + A → A 2 + + A, in terms of the mass of the atom and its polarizability. The robustness and predictive power of our approach have been checked in comparison with experimental data of rare gas three-body recombination as well as previous theoretical frameworks, which need one or two atom-dependent fitting parameters. Furthermore, our approach is general and applicable to any ion-atom-atom system.

74 ATOMIC AND MOLECULAR PHYSICS↗