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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

Long-Wavelength Infrared Detector

Proposed device detects infrared photons of 10- to 100-micrometer wavelength by intersubband absorption in coupled quantum wells. Based on splitting of energy level occuring when two quantum wells placed so close together wave functions of quantized energy levels overlap. Detector absorbs photons, energy which equals difference in energy between two levels resulting from split. Because degree of overlap of wave functions and, therefore, magnitude of split varied by varying width of barrier between two coupled wells, such detector, in principle, designed to operate at any desired wavelength. Restrictions on design parameters of quantum wells of proposed device less severe than single-well devices. Energy levels near tops of wells still necessary so photoexcited carriers tunnel out. Additional flexibility in design obtained by use of wells formed by barriers of different heights.

Vasquez, Richard P.↗

Nano-Transistor Modeling: Two Dimensional Green's Function Method

Two quantum mechanical effects that impact the operation of nanoscale transistors are inversion layer energy quantization and ballistic transport. While the qualitative effects of these features are reasonably understood, a comprehensive study of device physics in two dimensions is lacking. Our work addresses this shortcoming and provides: (a) a framework to quantitatively explore device physics issues such as the source-drain and gate leakage currents, DIBL (Drain Induced Barrier Lowering), and threshold voltage shift due to quantization, and b) a means of benchmarking quantum corrections to semiclassical models (such as density-gradient and quantum-corrected MEDICI).

Svizhenko, Alexei↗

Competing Classical and Quantum Effects in Shape Relaxation of a Metallic Nanostructure

We demonstrate for the first time that the quantum size effect (QSE) plays a competing role along side the classical thermodynamic effect in the shape relaxation of a small metallic island. Together, these effects transforms a lead(Pb) island grown on Si(111) substrate from its initially flattop faceted morphology to a peculiar ring-shape island, a process catalysed by the tip electric field of a scanning tunnelling microscope (STM). We shall show for the first time how QSE affects the relaxation process dynamically. In particular, it leads to a novel strip-flow growth and double-step growth on selective strips of a plateau inside the ring, defined by the substrate steps more than 60?0?3 below. It appears that atoms diffusing on the plateau can clearly (sub i)(deg)sense(sub i)+/- the quantized energy states inside the island and have preferentially attached to regions that further reduces the surface energy as a result of the QSE, limiting its own growth and stabilizing the ring shape. The mechanism proposed here offers a sound explanation for ring shape metal and semiconductor islands observed in other systems as well.

Chen, Dongmin↗

Submonolayer Quantum Dot Infrared Photodetector

A method has been developed for inserting submonolayer (SML) quantum dots (QDs) or SML QD stacks, instead of conventional Stranski-Krastanov (S-K) QDs, into the active region of intersubband photodetectors. A typical configuration would be InAs SML QDs embedded in thin layers of GaAs, surrounded by AlGaAs barriers. Here, the GaAs and the AlGaAs have nearly the same lattice constant, while InAs has a larger lattice constant. In QD infrared photodetector, the important quantization directions are in the plane perpendicular to the normal incidence radiation. In-plane quantization is what enables the absorption of normal incidence radiation. The height of the S-K QD controls the positions of the quantized energy levels, but is not critically important to the desired normal incidence absorption properties. The SML QD or SML QD stack configurations give more control of the structure grown, retains normal incidence absorption properties, and decreases the strain build-up to allow thicker active layers for higher quantum efficiency.

Ting, David Z.↗

Approximate constants of motion for classically chaotic vibrational dynamics - Vague tori, semiclassical quantization, and classical intramolecular energy flow

Substantial short time regularity, even in the chaotic regions of phase space, is found for what is seen as a large class of systems. This regularity manifests itself through the behavior of approximate constants of motion calculated by Pade summation of the Birkhoff-Gustavson normal form expansion; it is attributed to remnants of destroyed invariant tori in phase space. The remnant torus-like manifold structures are used to justify Einstein-Brillouin-Keller semiclassical quantization procedures for obtaining quantum energy levels, even in the absence of complete tori. They also provide a theoretical basis for the calculation of rate constants for intramolecular mode-mode energy transfer. These results are illustrated by means of a thorough analysis of the Henon-Heiles oscillator problem. Possible generality of the analysis is demonstrated by brief consideration of classical dynamics for the Barbanis Hamiltonian, Zeeman effect in hydrogen and recent results of Wolf and Hase (1980) for the H-C-C fragment.

Shirts, R. B.↗

An Overview of High-Resolution, Non-Dispersive, Imaging Spectrometers for High-Energy Photons

High-resolution x-ray spectroscopy has become a powerful tool for studying the evolving universe. The grating spectrometers on the XMM and Chandra satellites initiated a new era in x-ray astronomy. Despite their successes, there is still need for instrumentation that can provide higher spectral resolution with high throughput in the Fe-K band and for extended sources. What is needed is a non-dispersive imaging spectrometer - essentially a 14-bit x-ray color camera. And a requirement for a nondispersive spectrometer designed to provide eV-scale spectral resolution is a temperature below 0.1 K. The required spectral resolution and the constraints of thermodynamics and engineering dictate the temperature regime nearly independently of the details of the sensor or the read-out technology. Low-temperature spectrometers can be divided into two classes - - equilibrium and non-equilibrium. In the equilibrium devices, or calorimeters, the energy is deposited in an isolated thermal mass and the resulting increase in temperature is measured. In the non-equilibrium devices, the absorbed energy produces quantized excitations that are counted to determine the energy. The two approaches have different strong points, and within each class a variety of optimizations have been pursued. I will present the basic fundamentals of operation and the details of the most successful device designs to date. I will also discuss how the measurement priorities (resolution, energy band, count rate) influence the optimal choice of detector technology.

Kilbourne, Caroline↗

Discrete Rotational Energy for Polyatomic Molecules in Direct Simulation Monte Carlo

Accurate prediction of aerothermodynamic loads in thermal non-equilibrium flows requires precise modeling of internal energy exchange. While previous direct simulation Monte Carlo frameworks have successfully implemented discrete rotational energy models for diatomic species, the treatment of polyatomic molecules has traditionally relied on continuous energy assumptions that break down at low temperatures and neglect critical high-temperature corrections. This study extends the discrete rotational energy models of Boyd and Gimelshein to fully encompass polyatomic molecules. The proposed framework implements quantized rotational energy level sampling for linear, spherical, and symmetric/asymmetric top rotors. Crucially, the model incorporates centrifugal distortion to address the limitations of the rigid-rotor assumption at hypersonic temperatures, and accounts for nuclear spin parity, which dictates the permissible rotational states and macroscopic specific heats at low temperatures. The model is verified through equilibrium sampling procedures, demonstrating agreement with theoretical quantum Boltzmann distributions and accurately reproducing thermophysical properties across a wide range of temperatures.

DSMC↗

Collisional excitation of electron Landau levels in strong magnetic fields

The cross sections for the excitation and deexcitation of the quantized transverse energy levels of an electron in a magnetic field are calculated for electron-proton and electron-electron collisions in light of the importance of the cross sections for studies of X-ray pulsar emission. First-order matrix elements are calculated using the Dirac theory of the electron, thus taking into account relativistic effects, which are believed to be important in accreting neutron stars. Results for the collisional excitation of ground state electrons by protons are presented which demonstrate the importance of proton recoil and relativistic effects, and it is shown that electron-electron excitations may contribute 10 to 20% of the excitation rate from electron-proton scattering in a Maxwellian plasma. Finally, calculations of the cross section for electron-proton small-angle scattering are presented which lead to relaxation rates for the electron velocity distribution which are modified by the magnetic field, and to a possible increase in the value of the Coulomb logarithm.

Langer, S. H.↗

Structure variation of the index of refraction of GaAs-AlAs superlattices and multiple quantum wells

A detailed calculation of the index refraction of various GaAs-AlAs superlattices is presented for the first time. The calculation is performed by using a hybrid approach which combines the k-p method with the pseudopotential technique. Appropriate quantization conditions account for the influence of the superstructures on the electronic properties of the systems. The results of the model are in very good agreement with the experimental data. In comparison with the index of refraction of the corresponding AlGaAs alloy, characterized by the same average mole fraction of Al, the results indicate that the superlattice index of refraction values attain maxima at the various quantized transition energies. For certain structures the difference can be as large as 2 percent. These results suggest that the waveguiding and dispersion relation properties of optoelectronic devices can be tailored to design for specific optical application by an appropriate choice of the superlattice structure parameters.

Kahen, K. B.↗

Optical constants of GaAs-AlGaAs superlattices and multiple quantum wells

The optical properties of GaAs-Al sub x Ga sub 1-xAs superlattices are calculated as a function of the frequency and superlattice structure. The comutations are performed using a partition method which combines the vectors k.p method with the pseudopotential technique. The influence of the super-structure on the electronic properties of the systems is accounted for by appropriate quantization conditions. The anisotropy and structure dependence of the dielectric constant result mainly from the contribution of the gamma region while the contributions of the other regions of the Brillouin zone are rather insensitive to the superlattice structure. The superlattice index of refraction values are shown to attain maxima at the various quantized transition energies, where for certain structures, the difference between the refractive indices of the superlattices and its corresponding Al sub x Ga sub 1-xAs alloy can be as large as 2%. In general results are in good agreement with the experimental data.

Kahen, K. B.↗

An Energetic Concept of Habitability for the Deep Subsurface

Universally, life must be characterized by a characteristic level of order and complexity. In the most general sense, habitability could then be defined as the set of factors required to allow the creation and maintenance of molecular complexity. These factors are: chemical raw materials; energy with which to assemble those materials into complex molecules and sustain the resultant state of complexity; a solvent that allows the interaction of complex molecules, promotes tertiary structure, and permits compartmentalization; and environmental conditions that permit the assembly and maintenance of complex molecules. On Earth, these general requirements correspond to the major biogenic elements C, H, O, N, P, S; chemical or light energy; the solvent water; and specific ranges of temperature, pH, radiation, ionic strength, and so forth, which have thus far been determined on and exclusively empirical basis. Importantly, while the complete absence of any of these factors ensures uninhabitable conditions, the mere presence of all four does not guarantee habitability. In each case - even that of water - it is a question of degree. This question can be couched in quantitative terms by considering the impact of each of these factors on cellular energy balance. More "extreme" conditions (e.g., high temperature, high or low pH, etc.), lower water activity, and low concentrations of nutrients incur or have potential to be addressed by increased investment of energy on the part of the cell. This must be balanced by energy conservation in the cell, noting that biochemical, mass transport, and abiotic chemical limitations intervene between environmental energy availability and biological energy capture. Similarly, lower boundary conditions are emplaced on useful environmental energy yields by the "quantized" nature of biological energy conservation, and upper boundary conditions are emplaced by energy levels or fluxes that are destructive with respect to complexity. This energetic framework, with boundary conditions supplied by the specifics of the biochemistry in question, offers a generalized, yet quantitative means of assessing the habitability of any system with respect to complex life.

Hoehler, Tori M.↗

Multiple energetic injections in a strong spike-like solar burst

An intense and fast spike-like solar burst was built up of short time scale structures superimposed on an underlying gradual emission, the time evolution of which shows remarkable proportionality between hard X-ray and microwave fluxes. The finer time structure were best defined at mm-microwaves. At the peak of the event, the finer structures repeat every 30x60ms. The more slowly varying component with a time scale of about 1 second was identified in microwave hard X-rays throughout the burst duration. It is suggested that X-ray fluxes might also be proportional to the repetition rate of basic units of energy injection (quasi-quantized). The relevant parameters of one primary energy release site are estimated both in the case where hard X-rays are produced primarily by thick-target bremsstrahlung, and when they are purely thermal. The relation of this figure to global energy considerations is discussed.

Kaufmann, P.↗

Multiple energetic injections in a strong spike-like solar burst

An intense and fast spike-like solar burst was built up of short time scale structures superimposed on an underlying gradual emission, the time evolution of which shows remarkable proportionality between hard X-ray and microwave fluxes. The finer time structures were best defined at mm-microwaves. At the peak of the event, the finer structures repeat every 30 x 60 ms. The more slowly varying component with a time scale of about 1 second was identified in microwave hard X-rays throughout the burst duration. It is suggested that X-ray fluxes might also be proportional to the repetition rate of basic units of energy injection (quasi-quantized). The relevant parameters of one primary energy release site are estimated both in the case where hard X-rays are produced primarily by thick-target bremsstrahlung, and when they are purely thermal. The relation of this figure to global energy considerations is discussed. Previously announced in STAR as N83-35983

Kaufmann, P.↗

A FFT Method for the Quasiclassical Selection of Initial Ro-Vibrational States of Triatomic Molecules

This paper describes the use of an exact fast Fourier transform (FFT) method to prepare specified vibrational-rotational states of triatomic molecules. The method determines the Fourier coefficients needed to describe the coordinates and momenta of a vibrating-rotating triatomic molecule. Once the Fourier coefficients of a particular state are determined, it is possible to easily generate as many random sets of initial cartesian coordinates and momenta as desired. All the members of each set will correspond to the particular vibrational-rotational state selected. For example, in the case of the ground vibrational state of a non-rotating water molecule, the calculated actions of 100 sets of initial conditions produced actions within 0.001 h(bar) of the specified quantization values and energies within 5 cm(sup -1) of the semiclassical eigenvalue. The numerical procedure is straightforward for states in which all the fundamental frequencies are independent. However for states for which the fundamental frequencies become commensurate (resonance states), there are additional complications. In these cases it is necessary to determine a new set of "fundamental" frequencies and to modify the quantization conditions. Once these adjustments are made, good results are obtained for resonance states. The major problems are in labelling the large number of Fourier coefficients and the presence of regions of chaotic motion. Results are presented for the vibrational states of H2O and HCN and the ro-vibrational states of H2O.

Eaker, Charles W.↗

The excitation of electronic transverse energy levels in an intense magnetic field

Observations of the X-ray pulsar Hercules X-1 show a line emission feature at about 60 keV, which has been interpreted as the fundamental electron cyclotron line in a magnetic field of around six trillion gauss. In this interpretation, the line radiation results from transitions between transverse energy levels, which are quantized by the field. The expected line luminosity from the excitation of these levels by protons which are falling into the polar cap of a neutron star are calculated. They are assumed to attain kinetic energies up to around 200 MeV, the gravitational potential energy at the surface. The cross sections for high energy Coulomb encounters between small pitch angle protons and electrons in a strong field are measured and used to calculate the energy loss rate of the infalling protons. This rate, together with the rate of elastic nuclear proton collisions, is then used to calculate the number of line photons an infalling proton can be expected to produce, directly or indirectly. The results are applied to Hercules X-1.

Bussard, R. W.↗

Index of refraction of GaAs-Al(x)Ga(1-x)As superlattices and multiple quantum wells

A theoretical study of the index of refraction of superlattices and its variation as a function of frequency and the superlattice parameters, i.e., layer width and AlAs composition, is presented. Gamma-region exciton and valence-band mixing effects are included in the model. It is found that these two effects have an important influence on the value of the index of refraction and that superstructure effects rapidly decrease for energies greater than the superlattice potential barriers. Because of the quasi-two-dimensional character of the Gamma-region excitons, the results indicate that the superlattice index of refraction can vary by about two percent at the quantized, bound-exciton, transition energies. Overall, the theoretical results are in good agreement with the experimental data.

Kahen, K. B.↗

Numerical prediction of aeroacoustic jet-flap flows

Turbulent boundary layer flows departing an aerodynamic surface are experimentally verified to be strong sources of noise. Analysis of the source tensor of the Lighthill equation identifies important gradients of mean and fluctuating velocity components. Transition distributions of mean flow and select fluctuating velocity correlations, within the region immediately downstream of a sharp edged flap terminus are established by finite element solution of a parabolized form of the time-averaged steady flow Navier-Stokes equations closed with a turbulence kinetic energy model. Numerical solutions are presented which quantize the localized large mean flow accelerations and resultant peaks in the distribution of turbulence kinetic energy in the near wake region. Results are verified by comparison to experiment.

Baker, A. J.↗