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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 235 records · Page 13

On optimizing the treatment of exchange perturbations.

Most theories of exchange perturbations would give the exact energy and wave function if carried out to an infinite order. However, the different methods give different values for the second-order energy, and different values for E(1), the expectation value of the Hamiltonian corresponding to the zeroth- plus first-order wave function. In the presented paper, it is shown that the zeroth- plus first-order wave function obtained by optimizing the basic equation which is used in most exchange perturbation treatments is the exact wave function for the perturbation system and E(1) is the exact energy.

Hirschfelder, J. O.↗

A modification to linearized theory for prediction of pressure loadings on lifting surfaces at high supersonic Mach numbers and large angles of attack

A new linearized-theory pressure-coefficient formulation was studied. The new formulation is intended to provide more accurate estimates of detailed pressure loadings for improved stability analysis and for analysis of critical structural design conditions. The approach is based on the use of oblique-shock and Prandtl-Meyer expansion relationships for accurate representation of the variation of pressures with surface slopes in two-dimensional flow and linearized-theory perturbation velocities for evaluation of local three-dimensional aerodynamic interference effects. The applicability and limitations of the modification to linearized theory are illustrated through comparisons with experimental pressure distributions for delta wings covering a Mach number range from 1.45 to 4.60 and angles of attack from 0 to 25 degrees.

Carlson, H. W.↗

On the topological stability of magnetostatic equilibria

The topological stability of MHD equilibria is investigated by exploring the formal analogy, in the ideal MHD limit, between the topology of magnetic lines of force in coordinate space and the topology of integral surfaces of one- and two-dimensional Hamiltonian systems in phase space. It is demonstrated that in an astrophysical setting, symmetric magnetostatic equilibria satisfying the ideal MHD equations are exceptional. The principal result of the study is that previous infinitesimal perturbation theory calculations can be generalized to include finite-amplitude and symmetry-breaking effects. The effect of the ergodicity of perturbed symmetric equilibria on heat dispersal in magnetically dominated plasmas is discussed.

Tsinganos, K. C.↗

Secular resonances

Theories and numerical experiments regarding secular resonances are reviewed. The basic dynamics and the positions of secular resonances are discussed, and secular perturbation theories for the nu16 resonance case, the nu6 resonance, and the nu5 resonance are addressed. What numerical experiments have revealed about asteroids located in secular resonances, the stability of secular resonances, variations of eccentricities and inclinations, and chaotic orbits is considered. Resonant transport of meteorites is discussed.

Scholl, H.↗

Classical theory of radiating strings

The divergent part of the self force of a radiating string coupled to gravity, an antisymmetric tensor and a dilaton in four dimensions are calculated to first order in classical perturbation theory. While this divergence can be absorbed into a renormalization of the string tension, demanding that both it and the divergence in the energy momentum tensor vanish forces the string to have the couplings of compactified N = 1 D = 10 supergravity. In effect, supersymmetry cures the classical infinities.

Copeland, Edmund J.↗

Gravitational Changes of the Earth's Free Oscillation From Earthquakes: Theory and Feasibility Study Using GRACE Inter‐Satellite Tracking

GRACE satellites have detected regional‐scale preseismic, coseismic, and postseismic gravity changes associated with great earthquakes during the GRACE era (2002‐2017). Earthquakes also excite global‐scale transient gravity changes associated with free oscillations that may be discerned for a few days. In this study, we examine such global gravity changes due to Earth's free oscillations and quantify how they affect GRACE measurements. We employ the normal mode formalism to synthesize the global gravity changes after the 2004 Sumatra earthquake and simulate the (gravitational) free oscillation signals manifested in the GRACE K‐band ranging (KBR) measurements. Using the Kaula orbit perturbation theory, we show how GRACE inter‐satellite distances are perturbed through a complex coupling of eigenfrequencies of the normal modes with the Earth's rotation rate and the GRACE satellites' orbital frequency. It is found that a few gravest normal modes can generate range‐rate perturbations as large as 0.2 μm/s, which are comparable to actual errors of GRACE KBR ranging and accelerometer instruments. Wavelet time‐frequency analysis of the GRACE KBR residual data in December 2004 reveals the existence of a significant transient signal after the 2004 Sumatra earthquake. This transient signal is characterized by a frequency of ~0.022 mHz that could be potentially associated with the largest excitation due to the “football” mode of the Earth's free oscillation. However, the results are also affected by low‐frequency noise of the GRACE accelerometers. Improved space‐borne gravitational instrumentation may open new opportunities to study the Earth's interior and earthquakes independently from global seismological analysis.

Ghobadi-Far, Khosro↗

Research on development of equations for performance trajectory computations

The analytical foundation of the Hamilton-Jacobi theory was investigated for application to space flight problems. A specific problem area is defined as follows: (1) to attempt to use the first order perturbation theory, which has been developed for the motion of a uniaxial satellite in a gravitational field in studying the motion of a triaxial satellite in a gravity field; and (2) also to expand theory for the uniaxial case to higher order.

Harmon, G. R.↗

A perturbation solution for interlaminar stresses in bidirectional laminates

The paper considers a thin elastic bidirectional symmetric composite laminate subjected to a uniform axial strain. All interlaminar stresses are determined by a zeroth-order perturbation analysis of the governing equations. The method of solution considers the laminate to be composed of an interior region (removed from the free edge) and a boundary layer region. The interior region is analyzed by dropping terms related to powers of the thickness-to-width ratio in the dimensionless elasticity equations. The boundary layer region is studied by introducing a stretching transformation to the governing equations. A uniform solution is then formed by satisfying Prandtl's matching principle of perturbation theory. Results for a four-layer bidirectional graphite-epoxy laminate are compared with existing finite-difference results. It is shown that the perturbation analysis provides more insight into the stress distribution near the free edge.

Hsu, P. W.↗

Flight Mechanics/Estimation Theory Symposium

Methods of determining satellite orbit and attitude parameters are considered. The Goddard Trajectory Determination System, the Global Positioning System, and the Tracking and Data Relay Satellites are among the satellite navigation systems discussed. Satellite perturbation theory, orbit/attitude determination using landmark data, and star measurements are also covered.

Fuchs, A. J.↗

A Comparison of Density Functional Theory with Ab initio Approaches for Systems Involving First Transition Row Metals

Density functional theory (DFT) is found to give a better description of the geometries and vibrational frequencies of FeL and FeL(sup +) systems than second order Moller Plesset perturbation theory (MP2). Namely, the DFT correctly predicts the shift in the CO vibrational frequency between free CO and the Sigma(sup -) state of FeCO and yields a good result for the Fe-C distance in the quartet states of FeCH4(+) 4 These are properties where the MP2 results are unsatisfactory. Thus DFT appears to be an excellent approach for optimizing the geometries and computing the zero-point energies of systems containing first transition row atoms. Because the DFT approach is biased in favor of the 3d(exp 7) occupation, whereas the more traditional approaches are biased in favor of the 3d(exp 6) occupation, differences are found in the relative ordering of states. It is shown that if the dissociation is computed to the most appropriate atomic asymptote and corrected to the ground state asymptote using the experimental separations, the DFT results are in good agreement with high levels of theory. The energetics at the DFT level are much superior to the MP2 and in most cases in good agreement with high levels of theory.

Ricca, Alessandra↗

Ab initio determination of mode coupling in HSSH - The torsional splitting in the first excited S-S stretching state

A mechanism for the enhanced splitting detected in the millimeter-wave rotational spectra of the first excited S-S stretching state of HSSH (disulfane) has been studied. The mechanism, which involves a potential coupling between the first excited S-S stretching state and excited torsional states, has been investigated in part by the use of ab initio theory. Based on an ab initio potential surface, coupling matrix elements have been calculated, and the amount of splitting has then been estimated by second-order perturbation theory. The result, while not in quantitative agreement with the measured splitting, lends plausibility to the assumed mechanism.

Herbst, Eric↗

On the theory of tunnelling in electron and proton transfer reactions.

The concept of tunnelling in the theory of electron and proton transfer reactions has recently been questioned on the ground that the situation is a nonstationary one. It has been suggested that time-dependent perturbation theory should be applied to obtain the quantum mechanical transition probability. We have done this for a square barrier. The result for most reactions is the same as obtained by the WKB approximation.

Sen, R. K.↗

Two-electron bond-orbital model, 1

Harrison's one-electron bond-orbital model of tetrahedrally coordinated solids was generalized to a two-electron model, using an extension of the method of Falicov and Harris for treating the hydrogen molecule. The six eigenvalues and eigenstates of the two-electron anion-cation Hamiltonian entering this theory can be found exactly general. The two-electron formalism is shown to provide a useful basis for calculating both non-magnetic and magnetic properties of semiconductors in perturbation theory. As an example of the former, expressions for the electric susceptibility and the dielectric constant were calculated. As an example of the latter, new expressions for the nuclear exchanges and pseudo-dipolar coefficients were calculated. A simple theoretical relationship between the dielectric constant and the exchange coefficient was also found in the limit of no correlation. These expressions were quantitatively evaluated in the limit of no correlation for twenty semiconductors.

Huang, C.↗

On the Reaction of FNO2 with CH3, t-butyl, and C13H21

Theoretical studies are reported for the reaction of FN02 with the radicals CH3, t-butyl, and C13H21, which are templates for the radical site of a hydrogenated diamond surface. All structures axe fully optimized using density functional theory (DFT) based on the B3LYP functional. Calibration calculations axe performed for CH3 + FNO2 using the coupled cluster approach, the the internally contracted multireference configuration. interaction method, and second order perturbation theory based upon complete active space SCF (CASSCF) reference wave function. These calibration calculations support the B3LYP approach for the calculation of bond energies, but show the B3LYP barrier is too low. Combining the calibration calculations with the larger clusters yields our best estimate of a barrier of about 10 kcal/mol. for the reaction of FNO2 with a radical site on hydrogenated diamond.

Thuemmel, H. T.↗

Lorentz resonances and the vertical structure of dusty rings - Analytical and numerical results

The Schaffer and Burns (1987) linear theory of Lorentz resonances (LRs) in planetary rings is extended in order to accurately compute LR locations and to elucidate the nature of grain trajectories within the LR zones. Using the perturbation theory and energy arguments, it is shown that an increase in the inclination or eccentricity of a grain must be accompanied by a shift in the mean orbital radius of the particle. This shift alters the epicyclic frequencies in such a way that the infinite response of the linear resonance theory is suppressed. Chaotic motion is found for the range of charge-to-mass ratios that cause the vertical and horizontal LRs to overlap.

Schaffer, Les↗

A non-axisymmetric linearized supersonic wave drag analysis: Mathematical theory

A Mathematical theory is developed to perform the calculations necessary to determine the wave drag for slender bodies of non-circular cross section. The derivations presented in this report are based on extensions to supersonic linearized small perturbation theory. A numerical scheme is presented utilizing Fourier decomposition to compute the pressure coefficient on and about a slender body of arbitrary cross section.

Barnhart, Paul J.↗