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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 19 records

Theory of dense hydrogen

Equations of state for molecular and metallic hydrogen are calculated in an accurate and comparable manner by using the density-functional method applied to static lattices. By isolating the electronic energies in this way, attention can be drawn to the relative importance of the protonic degrees of freedom. From the equation-of-state results it can be concluded that a remnant molecular pairing is preferred in a band-overlap metallic state, complete dissociation occurring only at very high densities. An accurate determination of the pressure needed to achieve complete dissociation is shown to require a self-consistent treatment of electron and proton degrees of freedom.

Chakravarty, S.↗

Effects due to overlapping large impact basins on Mars

Many ancient, highly degraded large impact basins exist on Mars. In many cases these basins overlap or are overlapped by more easily observed, presumably younger, impact basins. While impact basin overlap is becoming more recognized, the effects of such overlap have only occassionally been described. Such effects will depend on a variety of factors including the absolute and relative size of the basins, the degree of overlap, the state of the lithosphere and its thermal gradient at the time of impact, and the time between impacts. There now exists enough evidence for overlapping basins of different sizes that some of these can be discussed. This paper highlights some examples of the obvious effects of basin overlap.

Frey, Herbert↗

Preparing Quantum Many-Body Scar States on Quantum Computers

Quantum many-body scar states are highly excited eigenstates of many-body systems that exhibit atypical entanglement and correlation properties relative to other eigenstates at the same energy density. Scar states also give rise to infinitely long-lived coherent dynamics when the system is prepared in a special initial state having finite overlap with them. Many models with exact scar states have been constructed, but the fate of scarred eigenstates and dynamics when these models are perturbed is difficult to study with classical computational techniques. In this work, we propose state preparation protocols for individual scar states in a particular model, as well as superpositions of them that give rise to coherent dynamics. For superpositions of scar states, we propose both a linear depth unitary and a finite-depth nonunitary state preparation protocol, the latter of which uses measurement and postselection to reduce the circuit depth. For individual scarred eigenstates, we propose a circuit architecture with polynomial depth. We also provide proof of principle implementations of these protocols on superconducting quantum hardware.

Quantum Computing↗

Interactions among the lower valence states of the OH radical

In order to define the origins of experimentally observed predissociations within the A2 sigma/+/ state of OH, overlaps have been computed of the bound level vibrational wavefunctions in the A2 sigma/+/ state with the vibrational continua of states of OH arising from the ground electronic state separated atoms. The dependence of the transition moment upon internuclear distance is derived and compared with previous results. Implications of this analysis in terms of the two body formation of OH are indicated.

Smith, W. H.↗

Time-Accurate Incompressible Navier-Stokes Computations with Overlapped Moving Grids

MIT flapping foil experiment was used as a validation case to evaluate the current incompressible Navier-Stokes approach with overlapped grid schemes. Steady-state calculations were carried out for overlapped and patched grids. The grid dependency, turbulence model effects, and the effect of order of differencing were investigated. Numerical results were compared against experimental data. The resulting procedure were applied to unsteady flapping foil calculations. Two upstream NACA 0025 foils perform high-frequency synchronized motion and generate unsteady flow conditions to the downstream larger stationary foil. Comparison between unsteady experimental data and numerical results from two different moving boundary procedures will be presented.

Kiris, Cetin↗

Theoretical studies of solar-pumped lasers

The investigation of stimulated emission causing transitions from the B(1) pi sub u state of sodium to the overlapping 2(1) sigma(+) sub g electronic state has been continued. A new method of estimating the Franck-Condon factors has been developed which instead of fitting the molecular potential curves with Morse functions, estimates the V(r) dependence by interpolation from given potential curves. The results for the sum of the rates from one vibrational level in the upper state to all the levels in the lower state show good agreement with the previous method, implying that curve crossing by stimulated emission due to photons from the oven is an important mechanism in sodium.

Harries, Wynford L.↗

A Circuit-Based Quantum Algorithm Driven by Transverse Fields for Grover's Problem

We designed a quantum search algorithm, giving the same quadratic speedup achieved by Grover's original algorithm; we replace Grover's diffusion operator (hard to implement) with a product diffusion operator generated by transverse fields (easy to implement). In our algorithm, the problem Hamiltonian (oracle) and the transverse fields are applied to the system alternatively. We construct such a sequence that the corresponding unitary generates a closed transition between the initial state (even superposition of all states) and a modified target state, which has a high degree of overlap with the original target state.

quantum computing↗

Localization effects in radiationally disordered high-temperature superconductors: Theoretical interpretation

Theoretical interpretation of recent experiments on radiationally disordered high-temperature superconductors is presented, based on the concepts of mutual interplay of Anderson localization and superconductivity. Microscopic derivation of Ginzburg-Landau coefficients for the quasi-two-dimensional system in the vicinity of localization transition is given in the framework of the self-consistent theory of localization. The 'minimal metallic conductivity' for the quasi-two-dimensional case is enhanced due to a small overlap of electronic states on the nearest neighbor conducting planes. This leads to a stronger influence of localization effects than in ordinary (three-dimensional) superconductors. From this point of view even the initial samples of high-temperature superconductors are already very close to Anderson transition. Anomalies of H(c2) are also analyzed, explaining the upward curvature of H(c2)(T) and apparent independence of dH(c2)/dT (T = T(sub c)) on the degree of disorder as due to localization effects. Researchers discuss the possible reasons of fast T(sub c) degradation due to the enhanced Coulomb effects caused by the disorder induced decrease of localization length. The appearance and growth of localized magnetic moments is also discussed. The disorder dependence of localization length calculated from the experimental data on conductivity correlates reasonably with the theoretical criterion for suppression of superconductivity in the system with localized electronic states.

Goshchitskii, B. N.↗

Relative-Error-Covariance Algorithms

Two algorithms compute error covariance of difference between optimal estimates, based on data acquired during overlapping or disjoint intervals, of state of discrete linear system. Provides quantitative measure of mutual consistency or inconsistency of estimates of states. Relative-error-covariance concept applied, to determine degree of correlation between trajectories calculated from two overlapping sets of measurements and construct real-time test of consistency of state estimates based upon recently acquired data.

Bierman, Gerald J.↗

Precision Synchronization for Free-Space Quantum Networking

Precision synchronization is vital for robust long-distance quantum networking over fiber and free-space channels for which high-fidelity entanglement swapping between separate sources via an optical Bell state measurement requires temporal overlap of photonic qubits arriving from either source. This challenge is particularly distinct in satellite-based entanglement distribution in which relative motion, channel effects, and propagation delay must be addressed. This work presents a precision synchronization method for free space entanglement distribution, and reports on risk reduction testing in a quantum networking testbed at MIT Lincoln Laboratory. Primary consideration is for a dual-uplink architecture in which photons from entanglement sources at two ground locations interact in an optical Bell-state measurement implemented on a satellite in a low-earth orbit. The control approach uses independent entanglement sources at each ground location supplemented with a synchronization signal for feedback control from a timing discriminant measured at the spacecraft. The approach is being implemented in a laboratory testbed using 1-GHz repetition rate 1550-nm band entanglement sources generating ~10-MHz source entanglement rates with few-ps photon pulse lengths. The paper describes both fundamental architectural considerations and practical implementation details.

quantum↗

Development of forming and joining technology for TD-NiCr sheet

Forming joining techniques and properties data were developed for thin-gage TD-NiCr sheet in the recrystallized and unrecrystallized conditions. Theoretical and actual forming limit data are presented for several gages of each type of material for five forming processes: brake forming, corrugation forming, joggling, dimpling and beading. Recrystallized sheet can be best formed at room temperature, but unrecrystallized sheet requires forming at elevated temperature. Formability is satisfactory with most processes for the longitudinal orientation but poor for the transverse orientation. Dimpling techniques require further development for both material conditions. Data on joining techniques and joint properties are presented for four joining processes: resistance seam welding (solid-state), resistance spot welding (solid-state), resistance spot welding (fusion) and brazing. Resistance seam welded (solid-state) joints with 5t overlap were stronger than parent material for both material conditions when tested in tensile-shear and stress-rupture. Brazing studies resulted in development of NASA 18 braze alloy (Ni-16Cr-15Mo-8Al-4Si) with several properties superior to baseline TD-6 braze alloy, including lower brazing temperture, reduced reaction with Td-Ni-Cr, and higher stress-rupture properties.

Torgerson, R. T.↗

Theoretical investigation of wave-vector-dependent analytical and numerical formulations of the interband impact-ionization transition rate for electrons in bulk silicon and GaAs

The electron interband impact-ionization rate for both silicon and gallium arsenide is calculated using an ensemble Monte Carlo simulation with the expressed purpose of comparing different formulations of the interband ionization transition rate. Specifically, three different treatments of the transition rate are examined: the traditional Keldysh formula, a new k-dependent analytical formulation first derived by W. Quade, E. Scholl, and M. Rudan (1993), and a more exact, numerical method of Y. Wang and K. F. Brennan (1994). Although the completely numerical formulation contains no adjustable parameters and as such provides a very reliable result, it is highly computationally intensive. Alternatively, the Keldysh formular, although inherently simple and computationally efficient, fails to include the k dependence as well as the details of the energy band structure. The k-dependent analytical formulation of Quade and co-workers overcomes the limitations of both of these models but at the expense of some new parameterization. It is found that the k-dependent analytical method of Quade and co-workers produces very similar results to those obtained with the completely numerical model for some quantities. Specifically, both models predict that the effective threshold for impact ionization in GaAs and silicon is quite soft, that the majority of ionization events originate from the second conduction band in both materials, and that the transition rate is k dependent. Therefore, it is concluded that the k-dependent analytical model can qualitatively reproduce results similar to those obtained with the numerical model yet with far greater computational efficiency. Nevertheless, there exist some important drawbacks to the k-dependent analytical model of Quade and co-workers: These are that it does not accurately reproduce the quantum yield data for bulk silicon, it requires determination of a new parameter, related physically to the overlap intergrals of the Bloch state which can only be adjusted by comparison to experiment, and fails to account for any wave-vector dependence of the overlap integrals. As such the transition rate may be overestimated at those points for which 'near vertical,' small change in k, transitions occur.

Kolnik, Jan↗

Theoretical Investigation of Wave-Vector-Dependent Analytical and Numerical Formulations of the Interband Impact-Ionization Transition Rate for Electron in Bulk Silicon and GaAs

The electron interband impact-ionization rate for both silicon and gallium arsenide is calculated using an ensemble Monte Carlo simulation with the expressed purpose of comparing different formulations of the interband ionization transition rate. Specifically, three different treatments of the transition rate are examined: the traditional Keldysh formula, a new k-dependent analytical formulation first derived by W. Quade, E Scholl, and M. Rudan, and a more exact, numerical method of Y. Wang and K. F. Brennan. Although the completely numerical formulation contains no adjustable parameters and as such provides a very reliable result, it is highly computationally intensive. Alternatively, the Keldysh formula, although inherently simple and computationally efficient, fails to include the k dependence as well as the details of the energy band structure. The k-dependent analytical formulation of Quade and co-workers overcomes the limitations of both of these models but at the expense of some new parameterization. It is found that the k-dependent analytical method of Quade and co-workers produces very similar results to those obtained with (he completely numerical model for some quantities. Specifically, both models predict that the effective threshold for impact ionization in GaAs and silicon is quite soft, that the majority of ionization events originate from the second conduction band in both materials, and that the transition rate is k dependent. Therefore, it is concluded that the k-dependent analytical model can qualitatively reproduce results similar to those obtained with the numerical model yet with far greater computational efficiency. Nevertheless, there exist some important drawbacks to the k-dependent analytical model of Quade and co-workers: These are that it does not accurately reproduce the quantum yield data for bulk silicon, it requires determination of a new parameter, related physically to (he overlap integrals of the Bloch state which can only be adjusted by comparison to experiment, and fails to account for any wave-vector dependence of the overlap integrals. As such [he transition rate may be overestimated at those points for which "near vertical," small change in k, transitions occur.

Kolnik, Jan↗

Anisotropy Measurements from the Near-Threshold Photodissociation of the N2−NO Complex

We have used velocity map ion imaging to measure the angular anisotropy of the NO (A) products from the photodissociation of the N 2 −NO complex. Our experiment ranged from 108 to 758 cm −1 above the threshold energy to form NO (A)+N 2 (X) products, and these measurements reveal, for the first time, a strong angular anisotropy from photodissociation. At 108 cm −1 above the photodissociation threshold, we observed NO (A) photoproducts recoil preferentially perpendicular to the laser polarization axis with an average anisotropy parameter, β = −0.25; however, as the available energy was increased, the anisotropy increased, and at 758 cm −1 above the threshold energy, we found an average β = +0.28. The observed changes in the angular anisotropy of the NO (A) photoproduct are qualitatively similar to those observed for the photodissociation of the Ar−NO complex and likely result from changes in the region of the excited state potential energy surface accessed during the electronic excitation. At the lowest available energy, we also noted a large contribution from hot band excitation; however, this contribution decreased as the available energy increased. The outsized contribution at the lowest available energy may result from hot bands having better Franck−Condon overlap with the excited electronic state near threshold. Finally, we contrast the experimental center of mass translational energy distribution with a statistical energy distribution determined from phase space theory. The experimental and statistical distributions show pronounced disagreement, particularly at low kinetic energies, with the experimental one showing less dissociation resulting in high rotational levels of the fragments.

Energy↗

In situ measurements of the NO2/NO ratio for testing atmospheric photochemical models

Simultaneous in situ measurements of NO2, NO, O3, ClO, pressure and temperature have been made for the first time, presenting a unique opportunity to test our current understanding of the photochemistry of the lower stratospere. Data were collected from several flights of the ER-2 aircraft at mid-latitudes in May 1993 during NASA's Stratospheric Photochemistry, Aerosols and Dynamics Expedition (SPADE). The daytime ratio of NO2/NO remains fairly constant at 19 km with a typical value of 0.68 and standard deviation of +/- 17. The ratio observations are compared with simple steady-state calculations based on laboratory-measured reaction rates and modeled NO2 photolysis rates. At each measurement point the daytime NO2/NO with its measurements uncertainty overlap the results of steady-state caculations and associated uncertainty. Possible sources of error are examined in both model and measurements. It is shown that more accurate laboratory determinations of the NO + 03 reaction rate and of the NO2 cross-sections in the 200-220 K temperature range characteristic of the lower stratosphere would allow for a more robust test of our knowledge of NO(X) phtochemistry by reducing significant sources if uncertainties in the interpretation of statospheric measurements.

Jaegle, L.↗

In Situ Measurements of the NO2/NO Ratio for Testing Atmospheric Photochemical Models

Simultaneous in situ measurements of NO2, NO, O3, ClO, pressure and temperature have been made for the first time, presenting a unique opportunity to test our current understanding of the photochemistry of the lower stratosphere. Data were collected from several flights of the ER-2 aircraft at mid-latitudes in May 1993 during NASA's Stratospheric Photochemistry, Aerosols and Dynamics Expedition (SPADE). The daytime ratio of NO2/NO remains fairly constant at 19 km with a typical value of 0.68 and standard deviation of +/- 0.17. The ratio observations are compared with simple steady-state calculations based on laboratory-measured reaction rates and modeled NO2 photolysis rates. At each measurement point the daytime NO2/NO with its measurement uncertainty overlap the results of steady-state calculations and associated uncertainty. However, over all the ER-2 flights examined, the model systematically overestimates the ratio by 40% on average. Possible sources of error are examined in both model and measurements. It is shown that more accurate laboratory determinations of the NO + O3 reaction rate and of the NO2 cross-sections in the 200-220 K temperature range characteristic of the lower stratosphere would allow for a more robust test of our knowledge of NO(x) photochemistry by reducing significant sources of uncertainties in the interpretation of stratospheric measurements. The present measurements are compared with earlier observations of the ratio at higher altitudes.

Jaegle, L.↗

Theoretical helium I emission-line intensities for quiescent prominences

Self-consistent solutions of the combined statistical equilibrium and transfer equations have been carried out for a rather complete multilevel, multi-ion model helium atom in model quiescent prominences. The excitation and ionization of both He I and He II were considered simultaneously, and detailed calculations of the radiative transfer in the resonance lines and ground-state continua of both these ions were made, allowing for the effects of overlapping hydrogen transitions. A large number of excited states have been included in the computation, so that a fairly comprehensive set of predicted subordinate line intensities are now available for comparison with observation. A preliminary comparison of the predicted values with published singlet/triplet ratio observations shows good agreement for all the pairs of lines considered.

Heasley, J. N.↗