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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
NASA NTRS1986

Laboratory detection of the C5H radical

The new linear molecule reported by Cernicharo et al. (1986) has been found in the same laboratory discharge in which C3H is observed, establishing conclusively that the molecule is C5H in its 2Pi ground state. Six rotational transitions in the 2Pi(1/2) ladder and four in the 2Pi(3/2), each split by lambda doubling, were observed. The twenty millimeter-wave lines were simultaneously fit by a standard Hamiltonian with five free parameters: the fine-structure constant, the rotational constant, the centrifugal distortion constant, and two lambda-doubling constants.

Gottlieb, C. A.↗
NASA NTRS2019

Computational Bayesian Methods Applied to Complex Problems in Bio and Astro Statistics

In this dissertation we apply computational Bayesian methods to three distinct problems. In the first chapter, we address the issue of unrealistic covariance matrices used to estimate collision probabilities. We model covariance matrices with a Bayesian Normal-Inverse-Wishart model, which we fit with Gibbs sampling. In the second chapter, we are interested in determining the sample sizes necessary to achieve a particular interval width and establish non-inferiority in the analysis of prevalences using two fallible tests. To this end, we use a third order asymptotic approximation. In the third chapter, we wish to synthesize evidence across multiple domains in measurements taken longitudinally across time, featuring a substantial amount of structurally missing data, and fit the model with Hamiltonian Monte Carlo in a simulation to analyze how estimates of a parameter of interest change across sample sizes.

Elrod, Chris↗
NASA NTRS1987

A quantum theoretical study of polyimides

One of the most important contributions of theoretical chemistry is the correct prediction of properties of materials before any costly experimental work begins. This is especially true in the field of electrically conducting polymers. Development of the Valence Effective Hamiltonian (VEH) technique for the calculation of the band structure of polymers was initiated. The necessary VEH potentials were developed for the sulfur and oxygen atoms within the particular molecular environments and the explanation explored for the success of this approximate method in predicting the optical properties of conducting polymers.

Burke, Luke A.↗
NASA NTRS1990

Electron energy spectrum and magnetic interactions in high-T(sub c) superconductors

The character of magnetic interactions in La-Sr-Cu-O and Y-Ba-Cu-O systems is of primary importance for analysis of high-T(sub c) superconductivity in these compounds. Neutron diffraction experiments showed the antiferromagnetic ground state for nonsuperconducting La2CuO4 and YBa2Cu3O6 with the strongest antiferromagnetic superexchange being in the ab plane. The nonsuperconducting '1-2-3' system has two Neel temperatures T sub N1 and T sub N2. The first one corresponds to the ordering of Cu atoms in the CuO2 planes; T sub N2 reflects the antiferromagnetic ordering of magnetic moments in CuO chains relatively to the moments in the planes T sub N1 and T sub N2 depend strongly on the oxygen content. Researchers describe magnetic interactions in high-T superconductors based on the Linear Muffin-Tin Orbitals (LMTO) band structure calculations. Exchange interaction parameters can be defined from the effective Heisenberg hamiltonian. When the magnetic moments are not too large, as copper magnetic moments in superconducting oxides, J sub ij parameters can be defined through the non-local magnetic susceptibility of spin restricted solution for the crystal. The results of nonlocal magnetic susceptibility calculations and the values of exchange interaction parameters for La CuO and YBa2Cu3O7 systems are given in tabular form. Strong anisotropy of exchange interactions in the ab plane and along the c axis in La2CuO4 is obviously seen. The value of Neel temperature found agrees well with the experimental data available. In the planes of '1-2-3' system there are quite strong antiferromagnetic Cu-O and O-O interaction which appear due to holes in oxygen subbands. These results are in line with the magnetic model of oxygen holes pairing in high-T(sub c) superconductors.

Turshevski, S. A.↗
NASA NTRS1991

Electron energy spectrum and magnetic interactions in high-Tc superconductors

The character of magnetic interactions in La-Sr-Cu-O and Y-Ba-Cu-O systems is of primary importance for analysis of high-T(sub c) superconductivity in these compounds. Neutron diffraction experiments showed the antiferromagnetic ground state for nonsuperconducting La2CuO4 and YBa2Cu3O6 with the strongest antiferromagnetic superexchange being in the ab plane. The nonsuperconducting '1-2-3' system has two Neel temperatures T(sub N1) and T(sub N2). The first one corresponds to the ordering of Cu atoms in the CuO2 planes; T(sub N2) reflects the antiferromagnetic ordering of magnetic moments in CuO chains relatively to the moments in the planes T(sub N1) and T(sub N2) which depend strongly on the oxygen content. Researchers describe magnetic interactions in high-T superconductors based on the Linear Muffin-Tin Orbitals (LMTO) band structure calculations. Exchange interaction parameters can be defined from the effective Heisenberg Hamiltonian. When the magnetic moments are not too large, as copper magnetic moments in superconducting oxides, J(sub ij) parameters can be defined through the non-local magnetic susceptibility of spin restricted solution for the crystal. The results of nonlocal magnetic susceptibility calculations and the values of exchange interaction parameters for La CuO and YBa2Cu3O7 systems are given in tabular form. Strong anisotropy of exchange interactions in the ab plane and along the c axis in La2CuO4 is obviously seen. The value of Neel temperature found agrees well with the experimental data available. In the planes of '1-2-3' system there are quite strong antiferromagnetic Cu-O and O-O interaction which appear due to holes in oxygen subbands. These results are in line with the magnetic model of oxygen holes pairing in high-T(sub c) superconductors.

Turshevski, S. A.↗
NASA NTRS1997

Bromine Dioxide, OBrO: The Rotational Spectrum and Molecular Properties

The spectra are well descrie by Hamiltonian which included centrifugal distortion efects for fine and hyperfine terms. The molecular structure and the harmonic force field have been derived, and they as well as fine and hyperfine structure constants, are compared with data of related molecules and ESR data from OBrO isolated in cryogenic salt matrices.

Bromine Dioxide Rotational Spectrum↗
NASA NTRS1989

Distributed parameter actuators for structural control

Timoshenko beam theory is applied to beams with multiple layers of piezoelectric material attached. The model is developed using a Hamiltonian approach, and includes the external electrical circuit as well as a complete set of boundary conditions. Resistors are added to the sensor layers for passive damping. The resulting model is then formulated in state space.

Cudney, H. H.↗
NASA NTRS1994

Evolution of wave function in a dissipative system

For a dissipative system with Ohmic friction, we obtain a simple and exact solution for the wave function of the system plus the bath. It is described by the direct product in two independent Hilbert space. One of them is described by an effective Hamiltonian, the other represents the effect of the bath, i.e., the Brownian motion, thus clarifying the structure of the wave function of the system whose energy is dissipated by its interaction with the bath. No path integral technology is needed in this treatment. The derivation of the Weisskopf-Wigner line width theory follows easily.

Yu, Li-Hua↗
NASA NTRS1995

Photoluminescence spectroscopy and the effective mass theory of strained (In,Ga)As/GaAs heterostructures grown on (112)B GaAs substrates

The photoluminescence characteristics of pseudomorphic In(0.19)Ga(0.81)As/GaAs quantum well structures grown on both the conventional (001) and the unconventional (112)B GaAs substrate are investigated. It is found that the emission spectra of the structures grown on the (112)B surface exhibit some spectral characteristics not observed on similar structures grown on the (001) surface. A spectral blue shift of the e yields hh1 transition with increasing optical pump intensity is observed for the quantum wells on the (112) surface. This shift is interpreted to be evidence of a strain-induced piezoelectric field. A second spectral feature located within the band gap of the In(0.19)Ga(0.81)As layer is also observed for the (112) structure; this feature is thought to be an impurity-related emission. The expected transition energies of the quantum well structures are calculated using the effective mass theory based on the 4 x 4 Luttinger valence band Hamiltonian, and related strain Hamiltonian.

Henderson, R. H.↗
NASA NTRS2003

Microscopic Modeling of Intersubband Optical Processes in Type II Semiconductor Quantum Wells: Linear Absorption

Linear absorption spectra arising from intersubband transitions in semiconductor quantum well heterostructures are analyzed using quantum kinetic theory by treating correlations to the first order within Hartree-Fock approximation. The resulting intersubband semiconductor Bloch equations take into account extrinsic dephasing contributions, carrier-longitudinal optical phonon interaction and carrier-interface roughness interaction which is considered with Ando s theory. As input for resonance lineshape calculation, a spurious-states-free 8-band kp Hamiltonian is used, in conjunction with the envelop function approximation, to compute self-consistently the energy subband structure of electrons in type II InAs/AlSb single quantum well structures. We demonstrate the interplay of nonparabolicity and many-body effects in the mid-infrared frequency range for such heterostructures.

Li, Jian-Zhong↗
NASA NTRSDate not supplied

Simulating a Low-Weight Encoding of the Fermi-Hubbard Model Feedback and Support with QAOA

Recent work [1] has proposed a compact fermion-to-qubit mapping for the Fermi-Hubbard model (FHM), potentially lowering the overhead needed to simulate such a system on quantum hardware. In prior work [2], we numerically investigated how well a quantum annealer could prepare ground states of the FHM encoded using the resource-efficient mapping. In order to compare these results to gate-model systems, we turn to a QAOA-style approach and replace the annealing schedule with both Trotterizations thereof and also more general Hamiltonian-variational ansatze based on the terms of the mapped FH Hamiltonian. We investigate the achievable ground state fidelities of these gate sequences, consider various optimizations of the ansatze structure, and offer resource estimations of the optimized QAOA protocols for near-term hardware.

quantum computing↗
NASA NTRS1989

Distributed structural control using multilayered piezoelectric actuators. I - Analysis

Timoshenko beam theory is applied to beams with multiple layers of piezoelectric material attached. The model is developed using a Hamiltonian approach, and includes a model of the external electrical circuits to which the piezoelectric layers are attached, as well as a complete set of boundary conditions. The resulting model is then formulated in state space, and compared to a state space model of the standard Timoshenko beam.

Cudney, H. H.↗
NASA NTRS1992

Initial value and two point boundary value solutions to the Clohessy-Wiltshire equations

The nonhomogeneous Clohessy-Wiltshire (C-W) equations are formulated and solved as an initial value problem in the form structure of linear systems theory. The state transition matrix (STM) and its inverse are obtained explicitly in both Newtonian and Hamiltonian form. It is shown that the STM for the C-2 equations possesses a special property making its inverse easily obtainable. Since solutions to the C-W equations are needed in two-point boundary value form to construct a good mission design tool for orbit transfer, the Lambert problem is solved in the context of the C-W equations.

Mullins, Larry D.↗
NASA NTRS2004

Spin lifetime tuning in zincblende heterostructures and applications to spin devices

We present analytical expressions for the D'yakonov-Perel' spin relaxation rates under the combined action of bulk and structural inversion asymmetry for zincblende heterostructures when terms up to linear and third order in k are included in the Hamiltonian. We see for heterostructures that, under the right conditions, the lowest-order-in-k component of the spin relaxation tensor can be made to vanish for all spin components at the same time. We study how the inclusion of terms of higher order in k affects these results.

spin filters↗
NASA NTRS1982

Stationary state model for normal metal tunnel junction phenomena

A model applicable to normal metal tunnel junctions is presented. This model, referred to herein as the stationary state model, is an extension of the extended basis function theory of Kleinman and Duke (1972). Under the assumption that elastic tunneling is the dominant transport mechanism under static bias, the theory has been extended to include the case where there is an ac component of bias potential, and the fluctuation spectrum has been derived. In this approach structure eigenstates are used as the basis, allowing observables to be evaluated without recourse to the perturbation theory inherent in the transfer Hamiltonian model. Comparison is made to the appropriate results of the first order transfer Hamiltonian model, and it is found that there is close but not always exact agreement to lowest order in the tunneling exponential. The stationary state model should be accurate with large barrier transmission, as it includes all orders of the tunneling exponential. The model as presented here should be applicable to normal metal tunnel junctions, where elastic tunneling is the dominant transport mechanism (under static bias), up to infrared excitation frequencies.

Whiteley, S. R.↗
NASA NTRS1985

Hybrid simulation codes with application to shocks and upstream waves

Hybrid codes in which part of the plasma is represented as particles and the rest as a fluid are discussed. In the past few years such codes with particle ions and massless, fluid electrons have been applied to space plasmas, especially to collisionless shocks. All of these simulation codes are one-dimensional and similar in structure, except for how the field equations are solved. The various approaches that are used (resistive Ohm's law, predictor-corrector, Hamiltonian) are described in detail and results from the various codes are compared with examples taken from collisionless shocks and low frequency wave phenomena upstream of shocks.

Winske, D.↗
NASA NTRS1994

The millimeter and submillimeter rotational spectrum of the MgCN radical (X (sup 2) Sigma(+))

The pure rotational spectrum of the MgCN radical has been recorded in the laboratory using millimeter/submillimeter direct absorption spectroscopy. Twenty-seven rotational transitions of the species were observed in the range 101-376 GHz and indicate that the molecule is linear with a (sup 2)Sigma(+) ground electronic state, as predicted by theory. Spin rotation interactions were resolved in the spectra, but no hyperfine splittings were observed, which would originate with the nitrogen nuclear spin. The rotational and fine-structure constants were determined for this radical from a nonlinear least-squares fit to the data using a (sup 2)Sigma Hamiltonian. MgCN is of astrophysical interest because it is the metastable isomer of MgNC, which recently has been detected toward IRC +10216

Anderson, M. A.↗