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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 181 records · Page 10

Monte Carlo calculation of dynamical properties of the two-dimensional Hubbard model

A new method is introduced for analytically continuing imaginary-time data from quantum Monte Carlo calculations to the real-frequency axis. The method is based on a least-squares-fitting procedure with constraints of positivity and smoothness on the real-frequency quantities. Results are shown for the single-particle spectral-weight function and density of states for the half-filled, two-dimensional Hubbard model.

White, S. R.↗

Strained-layer InGaAs/GaAs/AlGaAs single quantum well lasers with high internal quantum efficiency

Low threshold current density strained-layer In(0.2)Ga(0.8)As/GaAs/AlGaAs single quantum well lasers, emitting at 980 nm, have been grown by molecular beam epitaxy. Contrary to what has been reported for broad-area lasers with pseudomorphic InGaAs active layers grown by metalorganic chemical vapor deposition, these layers exhibit a high internal quantum efficiency (about 90 percent). The maximum external differential quantum efficiency is 70 percent, limited by an anomalously high internal loss possibly caused by a large lateral spreading of the optical mode. In addition, experimental results supporting the theoretically predicted strain-induced reduction of the valence-band nonparabolicity and density of states are presented.

Larsson, Anders↗

Fundamental limits to performance of quantum well infrared detectors

Radiometric, density of states (material), and thermal considerations are used to obtain the figure of merit of the quantum-well GaAs/GaAlAs infrared detectors described by Smith et. al. The results are compared with HgCdTe, the present industry standard, as well as with recent experiments at other laboratories.

Yariv, Amnon↗

Gain and energy storage in holmium YLF

It is demonstrated that Q-switched holmium lasers are capable of high-gain and high-energy operation at 300 K. Small-signal gain coefficients of 0.50 and 0.12/cm have been measured in YLF and YAG, respectively. Small-signal gains of 0.50/cm are comparable to those achievable in Nd:YAG and are not typical of low-gain materials. This large gain in the Ho:YLF material is made possible by operating the amplifier in the ground state depletion mode. The amplifier performance data and associated analysis presented demonstrate that efficient energy storage is possible with very high excited state ion densities of the Ho 5I7 upper laser level. This is an important result since upconversion can limit the 5I7 population. Although upconversion was still present in this experiment, it was possible to achieve efficient energy storage, demonstrating that the problem is manageable even at high excitation densities in YLF.

Storm, Mark E.↗

Localization in one-dimensional random superlattices

The localization of electrons in intentionally disordered superlattices is simulated. By studying the density of states and the localization length, significant variation of the degree of localization is found with the type of random stacking sequence is found. It is predicted that more enhancement of luminescence can be achieved with new types or stacking sequences.

Su, W. P.↗

Melting and its relationship to impact crater morphology

Shock-melting features occur on planets at scales that range from micrometers to megameters. It is the objective of this study to determine the extent of thickness, volume geometry of the melt, and relationship with crater morphology. The variation in impact crater morphology on planets is influenced by a broad range of parameters: e.g., planetary density, thermal state, strength, impact velocity, gravitational acceleration. We modeled the normal impact of spherical projectiles on a semi-infinite planet over a broad range of conditions using numerical techniques.

Okeefe, John D.↗

Regolith-structure modeling

Early lunar missions have provided a basic understanding of the physical and strength properties of lunar regolith, which have been shown to differ from those of dry terrestrial granular soils. Lunar regolith is predominantly a fine sand of which nearly 40 percent can be characterized as silt with a particle size smaller than 100 micrometers. The top 10 to 20 cm of the regolith can be characterized as being in a loose to medium-loose state. The density of the regolith, however, rapidly increases below a depth of 20 cm. The highly irregular and angular shapes of the regolith particles tend to interlock and create relatively strong mechanical bonds that give the particulate mass substantial cohesive properties and smaller amounts of tensile strength properties. In addition, the friction angle of lunar regolith at medium to high densities is quite high and often exceeds 55 degrees. These known properties of lunar regolith have been matched in a terrestrially-manufactured analog known as Minnesota Lunar Simulant. A variety of experiments were conducted using this simulant to both verify existing information and generate new information on the physical and constitutive properties of lunar regolith. These experiments include maximum and minimum density determinations, specific mass of solids, grain-size distribution, conventional triaxial compression and extension, isotropic compression, one-dimensional compression, direct shear, and direct tension. Direct shear experiments were conducted under atmospheric and vacuum conditions. Results of the physical and strength experiments compare closely to results obtained from lunar missions. Results of simulant strength experiments performed in vacuum indicated no observable difference from results obtained in air. A test bed currently under study is one involving a regolith shield covering a first-generation human habitat module. It is understood that regolith in depths ranging from 3 to 5 meters is required for radiation shielding for habitation and workspace. The habitat module is treated as a rigid cylindrical tube with a smooth exterior. By making the cylinder rigid, a complex interaction problem is reduced to a situation where we can consider the support regolith and the shielding regolith as behaving independently of the structural properties of the cylindrical structure. Medium-dense lunar simulant was placed around a scaled model of the habitat module to provide a radiation shield. This embankment-type shield was constructed in relatively thin but fine layers by compacting, by mechanical vibratory means, layer upon layer of simulant placed adjacent to the horizontally-aligned cylinder. The slope angles were constructed at 55 degrees. The model described above was studied in a geotechnical centrifuge, which allows for the scaling of model dimensions to prototype dimensions by increasing the acceleration of gravity on the model. The deformation response can be scaled up to prototype dimensions to provide an assessment of the deformation patterns of the lunar structure. The actual process of local and/or global growth of instabilities or skip planes can also be observed.

Ko, Hon-Yim↗

Strong far-infrared intersubband absorption under normal incidence in heavily n-type doped nonalloy GaSb-AlSb superlattices

We report on long-wavelength intersubband absorption under normal incidence in heavily doped binary-binary GaSb-AlSb superlattices. Due to a small energy difference between the ellipsoidal L valleys in GaSb and the low-density-of-states Gamma minimum, electrons spill over from the first Gamma subband into the higher-energy L subband in GaSb wells, where they are allowed to make an intersubband transition under normally incident radiation. A peak fractional absorption per quantum well of 6.8 x 10 exp 3 (absorption coefficient alpha of about 8500/cm) is observed at about 15 microns wavelength for a sheet concentration of 1.6 x 10 exp 12 sq cm/well.

Samoska, L. A.↗

Effect of disorder on the optical properties of short period superlattices

The optical properties of disordered short period superlattices are studied using a one-dimensional tight-binding model. A difference vector and disorder structure factor are proposed to characterize the disordered superlattice. The density of states, participation number, and optical absorption coefficients for both ordered and disordered superlattices are calculated as a function of energy. The results show that introduction of disorder into an indirect band gap material enhances the optical transition near the indirect band edge.

Strozier, J. A.↗

Optical and structural characterization of InAs/GaAs quantum wells

Three InAs/GaAs single quantum wells of two-, three-, and four-monolayer thickness were characterized using optical and structural techniques. The results of high-resolution transmission electron (HRTEM) microscopy and optical studies which combine absorption, photoluminescence (PL), photoreflectance, and cathodoluminescence are presented. Using the polarization modulated absorptance technique, we observed two absorption features in our samples at 77 K. On the basis of their polarization properties and comparison with an envelope function calculation, these structures are assigned to transitions between the confined heavy-hole and confined and unconfined electron levels. Photoreflectance spectra of the three-monolayer sample in 77-300 K range show only the fundamental quantum well transition. The temperature dependence of this transition is approximately linear with a slope of 2.2 x 10 exp -4 eV/K, which is significantly lower than in both constituent materials. Comparison to the absorption data reveals that the PL spectra are affected by the carrier diffusion and therefore do not provide direct measure of the exciton density of states. The HRTEM images indicate that, while the interfaces of the two-monolayer sample are smooth and the well thickness is uniform, the four-monolayer sample has uneven interfaces and contains domains of two, three, and four monolayers.

Ksendzov, A.↗

Predictions of a population of cataclysmic variables in globular clusters

We have studied the number of cataclysmic variables (CVs) that should be active in globular clusters during the present epoch as a result of binary formation via two-body tidal capture. We predict the orbital period and luminosity distributions of CVs in globular clusters. The results arebased on Monte Carlo simulations combined with evolution calculations appropriate to each system formed during the lifetime of two specific globular clusters, omega Cen and 47 Tuc. From our study of these two clusters, which represent the range of core densities and states of mass segregation that are likely to be interesting, we extrapolate our results to the Galactic globlular cluster system. Although there is at present little direct observational evidence of CVs in globular clusters, we find that there should be a large number of active systems. We predict that there should be more than approximately 100 CVs in both 47 Tuc and omega Cen and several thousand in the Galactic globular cluster system. These numbers are based on two-body processes alone and represent a lower bound on the number of systems that may have been formed as a result of stellar interaction within globular clusters. The relation between these calculations and the paucity of optically detected CVs in globular clusters is discussed. Should future observations fail to find convincing evidence of a substantial population of cluster CVs, then the two-body tidal capture scenario is likely to be seriously constrained. Of the CVs we espect in 47 Tuc and omega Cen, approximately 45 and 20, respectively, should have accretion luminosities above 10(exp 33) ergs/s. If one utilizes a relation for converting accretion luminosity to hard X-ray luminosity that is based on observations of Galactic plane CVs, even these sources will not exhibit X-ray luminosities above 10(exp 33) ergs/s. While we cannot account directly for the most luminous subset of the low-luminosity globular cluster X-ray sources without assuming an evolutionary pattern that is different from that of the majority of CVs in the disk, we are able to account for all of the observed lower luminosity subset of these sources, many of which have been recently discovered through ROSAT observations. In order for our predicted integrated cluster X-ray luminosities to be consistent with observational upper limits, the relation between accretion and X-ray luminosities should be something like that inferred from the Galactic plane population of CVs. Our calculations predict a large number of systems with L(sub acc) is less than 10(exp 32) ergs/s. Although our calculations imply that globular clusters should have an enhancement of CVs relative to the number thought to be present in the Galactic disk, this enhancement is at most roughly an order of magnitude, not comparable to the factor of approximately 100 for low-mass X-ray binaries (LMXBs).

Di Stefano, R.↗

Structural, dynamical and electronic properties of CaCuO2

The scalar relativistic version of an accurate first principles full potential self-consistent linearized muffin tin orbital (LMTO) method has been employed for describing the physical properties of the parent system of the high-T(sub c) oxide superconductors, i.e., CaCuO2. The presently employed modified version of the LMTO method is quite fast and goes beyond the usual LMTO ASA method in the sense that it permits a completely general shape of the potential and the charge density. Also, in contrast to LMTO ASA, the present method is also capable of treating distorted lattice structures accurately. The calculated values of the lattice parameters of pure CaCuO2 lie within 3% of the experimentally measured values for the Sr-doped system Ca(0.86)Sr(0.14)CuO(2). The computed electronic structures and the density of states is quite similar to those of the other oxide superconductors, except of their three- dimensional character because of the presence of strong coupling between the closely spaced CuO2 layers. The van Hove singularity peak appears slightly below the Fermi level and a small concentration of oxygenation /or/ substitutional doping may pin it at the Fermi level. The calculated frequencies for some symmetric frozen phonons for undoped CaCuO2 are quite near to the measured data for the Sr-doped CaCuO2.

Agrawal, Bal K.↗

Molecular Dynamics of a Water-Lipid Bilayer Interface

We present results of molecular dynamics simulations of a glycerol 1-monooleate bilayer in water. The total length of analyzed trajectories is 5ns. The calculated width of the bilayer agrees well with the experimentally measured value. The interior of the membrane is in a highly disordered fluid state. Atomic density profile, orientational and conformational distribution functions, and order parameters indicate that disorder increases toward the center of the bilayer. Analysis of out-of-plane thermal fluctuations of the bilayer surfaces occurring at the time scale of the present calculations reveals that the distribution of modes agrees with predictions of the capillary wave model. Fluctuations of both bilayer surfaces are uncorrelated, yielding Gaussian distribution of instantaneous widths of the membrane. Fluctuations of the width produce transient thinning defects in the bilayer which occasionally span almost half of the membrane. The leading mechanism of these fluctuations is the orientational and conformational motion of head groups rather than vertical motion of the whole molecules. Water considerably penetrates the head group region of the bilayer but not its hydrocarbon core. The total net excess dipole moment of the interfacial water points toward the aqueous phase, but the water polarization profile is non-monotonic. Both water and head groups significantly contribute to the surface potential across the interface. The calculated sign of the surface potential is in agreement with that from experimental measurements, but the value is markedly overestimated. The structural and electrical properties of the water-bilayer system are discussed in relation to membrane functions, in particular transport of ions and nonelectrolytes across membranes.

Wilson, Michael A.↗

Secondary Electron Emission Spectroscopy of Diamond Surfaces

This report presents the results of the secondary electron emission spectroscopy study of hydrogenated diamond surfaces for single crystals and chemical vapor-deposited polycrystalline films. One-electron calculations of Auger spectra of diamond surfaces having various hydrogen coverages are presented, the major features of the experimental spectra are explained, and a theoretical model for Auger spectra of hydrogenated diamond surfaces is proposed. An energy shift and a change in the line shape of the carbon core-valence-valence (KVV) Auger spectra were observed for diamond surfaces after exposure to an electron beam or by annealing at temperatures higher than 950 C. This change is related to the redistribution of the valence-band local density of states caused by hydrogen desorption from the surface. A strong negative electron affinity (NEA) effect, which appeared as a large, narrow peak in the low-energy portion of the spectrum of the secondary electron energy distribution, was also observed on the diamond surfaces. A fine structure in this peak, which was found for the first time, reflected the energy structure of the bottom of the conduction band. Further, the breakup of the bulk excitons at the surface during secondary electron emission was attributed to one of the features of this structure. The study demonstrated that the NEA type depends on the extent of hydrogen coverage of the diamond surface, changing from the true type for the completely hydrogenated surface to the effective type for the partially hydrogenated surface.

Krainsky, Isay L.↗

Chandra and XMM-Newton: Atomic Data Needs For X-ray Astronomy

With the launches of the Chandra X-ray Observatory and XM M-Newton, high resolution X-ray spectra of cosmic sources are broadening our understanding of the physical conditions, such as temperature, density, Ionization state, and elemental abundances. X-ray emitting astrophysical plasmas can be generally classified by their dominant ionization mechanism, either collisional ionization or X-ray photoionization. The atomic data needs are significantly different for these two cases; however, for both cases it is important that we identify robust and accurate diagnostics and that we verify completeness of the broadband models. We discuss the status of tile atomic data currently used in atomic databases for X-ray astronomy, in view of theoretical and experimental atomic physics considerations. We will also discuss the application of these models to new astrophysical data.

Brickhouse, Nancy↗

Line Profile Measurements of Atomic Oxygen at 1300 A with a VUV Raman Shifter

We are currently developing an atomic oxygen diagnostic to study the degree of oxygen dissociation in ground-based facilities. The absorption of the (sub 3)P - (sup 3)S(sup 0) resonance triplet in the vacuum ultraviolet is a direct measure of the ground state number density of atomic oxygen. Although the integrated line strength is well known for these transitions, the line profile is not. We report the results of a series of experiments in which the line profile is measured in shock-heated oxygen. An ArF excimer laser and a hydrogen Raman shifter generate tunable VUV radiation at the resonance wavelength. The test gas is dissociated oxygen, generated in the Electric Arc Shock Tube (EAST) Facility at NASA-Ames Research Center. By measuring the absorption of known concentrations of atomic oxygen, we are able to study the absorption line profile. The results will serve as a calibration to apply this diagnostic in other flowfields.

Sharma, Surendra P.↗

Conductance of AFM Deformed Carbon Nanotubes

This viewgraph presentation provides information on the electrical conductivity of carbon nanotubes upon deformation by atomic force microscopy (AFM). The density of states and conductance were computed using four orbital tight-binding method with various parameterizations. Different chiralities develop bandgap that varies with chirality.

Svizhenko, Alexei↗

Carbon Nanotubes: Molecular Electronic Components

The carbon Nanotube junctions have recently emerged as excellent candidates for use as the building blocks in the formation of nanoscale molecular electronic networks. While the simple joint of two dissimilar tubes can be generated by the introduction of a pair of heptagon-pentagon defects in an otherwise perfect hexagonal graphene sheet, more complex joints require other mechanisms. In this work we explore structural characteristics of complex 3-point junctions of carbon nanotubes using a generalized tight-binding molecular-dynamics scheme. The study of pi-electron local densities of states (LDOS) of these junctions reveal many interesting features, most prominent among them being the defect-induced states in the gap.

Srivastava, Deepak↗