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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
NASA NTRS2001

Determination of the Hyperfine Structure of N2D(+)

We present new high spectral resolution observations of the N2D+ J = 2 yields 1 and J = 3 yields 2 as well as N2H+ J = 3 yields 2 lines, towards dense molecular cores. The hyperfine structure of the N2H+ and N2D+ transitions is clearly resolved in these sources, in excellent agreement with quantum mechanical calculations. Optical depths are determined from the observed spectra, leading to D/H values of the order of 10 - 30% for the N2D+/N2H+ system. There are a large number of hyperfine components and in addition to providing satellites they contribute to the broadening and asymmetric shapes of the N2H+ and N2D+ line profiles. It is therefore important to take into account the detailed hyperfine structure of the transitions when deducing astrophysical parameters from observed data.

Gerin, Maryvonne↗
NASA NTRS1990

Characteristics of AlGaAs/GaAs multiple quantum well infrared detectors

Researchers fabricated and characterized several AlGaAs/GaAs multiple quantum well infrared detectors to evaluate the ultimate performance of these devices for low infrared background applications. The detectors were designed to have a single bound state in the quantum well and the first excited state in the continuum above the AlGaAs conduction band edge. The difference in energy between the two levels, as determined by the quantum well width and aluminum mole fraction in the barrier, was chosen such that peak absorption would occur near 8 microns. The initial structures studied comprised 50 periods with 40 A well widths and 300 A Al(0.28)Ga(0.72)As barriers. The performance of these detectors are summarized. To better interpret these results and design optimized detectors, researchers modeled both the detector noise and tunneling currents. The noise model correctly predicts that multiple quantum well detectors will, indeed, exhibit noise lower than full shot noise. The tunneling current model predicts the dark current versus bias for any choice of design parameters in a multiple quantum well detector. This model predicts a substantially reduced dark current (x 10(exp 04)) for samples with 400 A barriers. To evaluate structures with thicker barriers, researchers fabricated and characterized detectors with 400 A and 500 A barriers; a comparison of detector dark currents is shown. These results are consistent with the predictions of the dark current model.

Janousek, Bruce K.↗
NASA NTRS2020

UV/Vis+ Photochemistry Database: Structure, Content and Applications

The “science-softCon UV/Vis+ Photochemistry Database” (www.photochemistry.org) is a large and comprehensive collection of EUV-VUV-UV–Vis-NIR spectral data and other photochemical information assembled from published peer-reviewed papers. The database contains photochemical data including absorption, fluorescence, photoelectron, and circular and linear dichroism spectra, as well as quantum yields and photolysis related data that are critically needed in many scientific disciplines. This manuscript gives an outline regarding the structure and content of the “science-softCon UV/Vis+ Photochemistry Database”. The accurate and reliable molecular level information provided in this database is fundamental in nature and helps in proceeding further to understand photon, electron and ion induced chemistry of molecules of interest not only in spectroscopy, astrochemistry, astrophysics, Earth and planetary sciences, environmental chemistry, plasma physics, combustion chemistry but also in applied fields such as medical diagnostics, pharmaceutical sciences, biochemistry, agriculture, and catalysis. In order to illustrate this, we illustrate the use of the UV/Vis+ Photochemistry Database in four different fields of scientific endeavor.

Photochemistry↗
NASA NTRS1982

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.↗
NASA NTRS1991

Krylov Subspace Methods for Complex Non-Hermitian Linear Systems

We consider Krylov subspace methods for the solution of large sparse linear systems Ax = b with complex non-Hermitian coefficient matrices. Such linear systems arise in important applications, such as inverse scattering, numerical solution of time-dependent Schrodinger equations, underwater acoustics, eddy current computations, numerical computations in quantum chromodynamics, and numerical conformal mapping. Typically, the resulting coefficient matrices A exhibit special structures, such as complex symmetry, or they are shifted Hermitian matrices. In this paper, we first describe a Krylov subspace approach with iterates defined by a quasi-minimal residual property, the QMR method, for solving general complex non-Hermitian linear systems. Then, we study special Krylov subspace methods designed for the two families of complex symmetric respectively shifted Hermitian linear systems. We also include some results concerning the obvious approach to general complex linear systems by solving equivalent real linear systems for the real and imaginary parts of x. Finally, numerical experiments for linear systems arising from the complex Helmholtz equation are reported.

Freund, Roland W.↗
NASA NTRS1991

Long-wave infrared (LWIR) detectors based on III-V materials

Future NASA missions for earth observation and planetary science require large photovoltaic detector arrays with high performance in the long wavelength region to 18 microns and at operating temperatures above 65 K where single-cycle long-life cryocoolers are being developed. Since these detector array requirements exceed the state of current HgCdTe technology, alternative detector materials are being investigated as a possible option for future missions. Advanced growth techniques (e.g., MBE and MOCVD) of column III-V semiconductors have opened opportunities for engineering new detector materials and device structures. The technical approaches under investigation at JPL (with university and industry participation) include: quantum well infrared photodetectors, heterojunction internal photoemission (HIP) photodetectors, type-II strained layer superlattices, and nipi doping superlattices. Each of these options are briefly described with some of their pros and cons. A more detailed description is given for the HIP approach being pioneered at JPL.

Maserjian, Joseph↗
NASA NTRS2008

Exploring Cosmic X-ray Source Polarization

Cosmic X-ray sources are expected to be polarized, either because of their asymmetry and the role of scattering in their emission or the role of magnetic fields. Polarization at other wavelengths has been useful. X-ray polarization will provide a new handle on black hole parameters, in particular the spin, on accretion flows and outflows, on neutron star spin orientations and emission mechanisms, on the quantum mechanical effects of super-strong magnetic fields of magnetars, and on the structure of supernovae shocks. The proposed Gravity and Extreme Magnetism SMEX (GEMS) will use high efficiency polarimeters behind thin foil mirrors. The statistical sensitivity and control of systematics will allow measurement of polarization fractions as small as 1% from many galactic and extragalactic sources. Targets which should be polarized at the level that GEMS can easily measure include stellar black holes, Seyfert galaxies and quasars, blazars, rotation-powered and accretion-powered pulsars, magnetars, shell supernova remnants and pulsar wind nebulae. The polarimeters are Time Projection Chambers that allow reconstruction of images of photoelectron tracks for 2-10 keV Xrays. They can be deep without sacrificing modulation. These polarimeters do not image the sky, but the telescope point spread function and detector collimation allow structure to be resolved at the 10 arcmin level. Rotation of the spacecraft is not needed for the signal measurement in the Time Projection Chambers, but provides for measurement and correction of systematic errors. It also allows a small Bragg reflection soft X-ray experiment to be included that can be used for isolated neutron stars and blazars.

Swank, Jean Hebb↗
NASA NTRS1990

Highly efficient pseudomorphic InGaAs/GaAs/AlGaAs single quantum well lasers for monolithic integration

Highly efficient ridge waveguide pseudomorphic single quantum well lasers, emitting at 980 nm, have been fabricated from an In(0.2)Ga(0.8)As/GaAs/AlGaAs graded-index separate confinement heterostructure grown by molecular beam epitaxy. The laterial index guiding provided by the ridge reduces the anomalously large lateral loss of optical power found in gain-guided structures, thereby reducing the internal loss by more than 50 percent. The low threshold current (7.6 mA) and high differential quantum efficiency (79 percent) obtained under continuous operation as well as the transparency of the GaAs substrate to the emitted radiation render these lasers attractive for Ga-As-based optoelectronic integration.

Larsson, A.↗
NASA NTRS2003

Investigarion of the effects of a quantum dot crystal geometry on its brillouin spectrum

We develop a theoretical model and carry out simulation of Brillouin spectrum of three-dimensional (3D) quantum dot (QD) arrays with a high order of 3D periodicity, i.e. quantum dot crystals (QDC). The phonon spectrum of Ge/Si QDC is found from the numerical solution of the elasticity equation for the whole structure. The developed approach is valid for any QD shape and regimentation and allows to include disorder in consider at ion.

quantum dot arrays quantum dot crystal raman spect↗
NASA NTRS1988

Optical Backplane Interconnect Technology (OBIT)

We describe and analyze a novel approach to implementing an Optical Backplane Interconnect Technology (OBIT) that is capable of optically connecting any row of a 32x32 backplane array to any row of a second 32x32 array. Each backplane array is formed monolithically on a wafer. The technology is based on the use of Grating Surface Emitting (GSE) waveguides formed on a wafer containing quantum-well and separate confinement waveguide layers. These layers are used for transverse guiding, gain, modulation, detection, and for the formation of wavelength tunable distributed-Bragg reflector lasers. The required surface structures are formed photolithographically. The GSE waveguides act as efficient antennae that radiate light at angles selected by tuning the wavelength of the lasers. The same waveguides may be used as the receiving antennae when the array is used in the receiving mode. Thus, wavelength tuning is used to direct each row of the transmitting array to the desired row of the receiving array. In summary: The optical backplane array will have the following characteristics: Any row of a 32x32 GSE array may be optically connected to any row of a second 32x32 array. Only one switch decision is required to switch 32 parallel connections to any one of 32 positions. Each monolithic array can be used as both transmitter and receiver by switching the bias on the quantum-well switch-detectors. Separate transmitting and receiving structures could be provided for duplex operation. For a bit error rate of 10 sup 9 at 100-MHz data rate, a required laser power of 12 mW is calculated based on an estimated total optical loss of 40 dB.

Hammer, J. M.↗
NASA NTRS1993

Demonstration of Y1Ba2Cu3O(7-delta) and complementary metal-oxide-semiconductor device fabrication on the same sapphire substrate

We report the first fabrication of active semiconductor and high-temperature superconducting devices on the same substrate. Test structures of complementary MOS transistors were fabricated on the same sapphire substrate as test structures of Y1Ba2Cu3O(7-delta) flux-flow transistors, and separately, Y1Ba2Cu3O(7-delta) superconducting quantum interference devices utilizing both biepitaxial and step-edge Josephson junctions. Both semiconductor and superconductor devices were operated at 77 K. The cofabrication of devices using these disparate yet complementary electronic technologies on the same substrate opens the door for the fabrication of true semiconductive/superconductive hybrid integrated circuits capable of exploiting the best features of each of these technologies.

Burns, M. J.↗
NASA NTRS1999

Multi-Dimensional Quantum Tunneling and Transport Using the Density-Gradient Model

We show that quantum effects are likely to significantly degrade the performance of MOSFETs (metal oxide semiconductor field effect transistor) as these devices are scaled below 100 nm channel length and 2 nm oxide thickness over the next decade. A general and computationally efficient electronic device model including quantum effects would allow us to monitor and mitigate these effects. Full quantum models are too expensive in multi-dimensions. Using a general but efficient PDE solver called PROPHET, we implemented the density-gradient (DG) quantum correction to the industry-dominant classical drift-diffusion (DD) model. The DG model efficiently includes quantum carrier profile smoothing and tunneling in multi-dimensions and for any electronic device structure. We show that the DG model reduces DD model error from as much as 50% down to a few percent in comparison to thin oxide MOS capacitance measurements. We also show the first DG simulations of gate oxide tunneling and transverse current flow in ultra-scaled MOSFETs. The advantages of rapid model implementation using the PDE solver approach will be demonstrated, as well as the applicability of the DG model to any electronic device structure.

Biegel, Bryan A.↗
NASA NTRS2009

Computer Code for Nanostructure Simulation

Due to their small size, nanostructures can have stress and thermal gradients that are larger than any macroscopic analogue. These gradients can lead to specific regions that are susceptible to failure via processes such as plastic deformation by dislocation emission, chemical debonding, and interfacial alloying. A program has been developed that rigorously simulates and predicts optoelectronic properties of nanostructures of virtually any geometrical complexity and material composition. It can be used in simulations of energy level structure, wave functions, density of states of spatially configured phonon-coupled electrons, excitons in quantum dots, quantum rings, quantum ring complexes, and more. The code can be used to calculate stress distributions and thermal transport properties for a variety of nanostructures and interfaces, transport and scattering at nanoscale interfaces and surfaces under various stress states, and alloy compositional gradients. The code allows users to perform modeling of charge transport processes through quantum-dot (QD) arrays as functions of inter-dot distance, array order versus disorder, QD orientation, shape, size, and chemical composition for applications in photovoltaics and physical properties of QD-based biochemical sensors. The code can be used to study the hot exciton formation/relation dynamics in arrays of QDs of different shapes and sizes at different temperatures. It also can be used to understand the relation among the deposition parameters and inherent stresses, strain deformation, heat flow, and failure of nanostructures.

Filikhin, Igor↗
NASA NTRS2019

AladynPi – Adaptive Neural Network Molecular Dynamics Simulation Code with Physically Informed Potential: Computational Materials Mini-Application

This report provides an overview and description of commands used in the Computational Materials mini-application, AladynPi. AladynPi is an extension of a previously released mini-application, Aladyn (https://github.com/nasa/aladyn; Yamakov, V.I., and Glaessgen, E.H., NASA/TM-2018-220104). Aladyn and AladynPi are basic molecular dynamics codes written in FORTRAN 2003, which are designed to demonstrate the use of adaptive neural networks (ANNs) in atomistic simulations. The role of ANNs is to efficiently reproduce the very complex energy landscape resulting from the atomic interactions in materials with the accuracy of the more expensive quantum mechanics-based calculations. The ANN is trained on a large set of atomic structures calculated using the density functional theory method. An input for the ANN is a set of structure coefficients, characterizing the local atomic environment of each atom, for which the atomic energy is obtained in the ANN inference process. In Aladyn, the ANN gives directly the energy of interatomic interactions. In AladynPi, the ANN gives optimized parameters for a predefined empirical function, known as bond-order-potential (BOP). The parameterized BOP function is then used to calculate the energy. AladynPi code is being released to serve as a training testbed for students and professors in academia to explore possible optimization algorithms for parallel computing on multicore central processing unit (CPU) computers or computers utilizing manycore architectures based on graphic processing units (GPUs). The effort is supported by the High Performance Computing incubator (HPCi) project at NASA Langley Research Center.

Yamakov, Vesselin I.↗
NASA NTRS1990

Small band gap superlattices as intrinsic long wavelength infrared detector materials

Intrinsic long wavelength (lambda greater than or equal to 10 microns) infrared (IR) detectors are currently made from the alloy (Hg, Cd)Te. There is one parameter, the alloy composition, which can be varied to control the properties of this material. The parameter is chosen to set the band gap (cut-off wavelength). The (Hg, Cd)Te alloy has the zincblend crystal structure. Consequently, the electron and light-hole effective masses are essentially inversely proportional to the band gap. As a result, the electron and light-hole effective masses are very small (M sub(exp asterisk)/M sub o approx. M sub Ih/M sub o approx. less than 0.01) whereas the heavy-hole effective mass is ordinary size (M sub hh(exp asterisk)/M sub o approx. 0.4) for the alloy compositions required for intrinsic long wavelength IR detection. This combination of effective masses leads to rather easy tunneling and relatively large Auger transition rates. These are undesirable characteristics, which must be designed around, of an IR detector material. They follow directly from the fact that (Hg, Cd)Te has the zincblend crystal structure and a small band gap. In small band gap superlattices, such as HgTe/CdTe, In(As, Sb)/InSb and InAs/(Ga,In)Sb, the band gap is determined by the superlattice layer thicknesses as well as by the alloy composition (for superlattices containing an alloy). The effective masses are not directly related to the band gap and can be separately varied. In addition, both strain and quantum confinement can be used to split the light-hole band away from the valence band maximum. These band structure engineering options can be used to reduce tunneling probabilities and Auger transition rates compared with a small band gap zincblend structure material. Researchers discuss the different band structure engineering options for the various classes of small band gap superlattices.

Smith, Darryl L.↗