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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 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Hopkins-Skellam index and origin of spatial regularity in InAs quantum dot formation on GaAs(001)

We investigate the origin of the spatial regularity of arrays of InAs quantum dots (QDs) grown on GaAs(001). The Hopkins-Skellam index (HSI) is used with a newly developed calculation algorithm to quantify the spatial regularity both of QDs and of nm-sized surface reconstruction territories (SRTs) present in the In{sub x}Ga{sub 1−x}As wetting layer prior to QD nucleation. The SRT is the minimum extent of a surface reconstruction region needed for one QD to nucleate. By computing the evolving HSI of SRTs from sequences of in situ scanning tunnelling microscopy images during growth, we find that the spatial regularity of QDs is traced back to that of the (n × 3) SRTs as early as 0.6 monolayers of InAs coverage. This regularity is disturbed by the (n × 4) SRTs which appear at higher coverage. The SRT approach is discussed in comparison to conventional capture zone theories of surface growth.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Electronic chemical response indexes at finite temperature in the canonical ensemble

Assuming that the electronic energy is given by a smooth function of the number of electrons and within the extension of density functional theory to finite temperature, the first and second order chemical reactivity response functions of the Helmholtz free energy with respect to the temperature, the number of electrons, and the external potential are derived. It is found that in all cases related to the first or second derivatives with respect to the number of electrons or the external potential, there is a term given by the average of the corresponding derivative of the electronic energy of each state (ground and excited). For the second derivatives, including those related with the temperature, there is a thermal fluctuation contribution that is zero at zero temperature. Thus, all expressions reduce correctly to their corresponding chemical reactivity expressions at zero temperature and show that, at room temperature, the corrections are very small. When the assumption that the electronic energy is given by a smooth function of the number of electrons is replaced by the straight lines behavior connecting integer values, as required by the ensemble theorem, one needs to introduce directional derivatives in most cases, so that the temperature dependent expressions reduce correctly to their zero temperature counterparts. However, the main result holds, namely, at finite temperature the thermal corrections to the chemical reactivity response functions are very small. Consequently, the present work validates the usage of reactivity indexes calculated at zero temperature to infer chemical behavior at room and even higher temperatures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

The atomic structure of low-index surfaces of the intermetallic compound InPd

The intermetallic compound InPd (CsCl type of crystal structure with a broad compositional range) is considered as a candidate catalyst for the steam reforming of methanol. Single crystals of this phase have been grown to study the structure of its three low-index surfaces under ultra-high vacuum conditions, using low energy electron diffraction (LEED), X-ray photoemission spectroscopy (XPS), and scanning tunneling microscopy (STM). During surface preparation, preferential sputtering leads to a depletion of In within the top few layers for all three surfaces. The near-surface regions remain slightly Pd-rich until annealing to ∼580 K. A transition occurs between 580 and 660 K where In segregates towards the surface and the near-surface regions become slightly In-rich above ∼660 K. This transition is accompanied by a sharpening of LEED patterns and formation of flat step-terrace morphology, as observed by STM. Several superstructures have been identified for the different surfaces associated with this process. Annealing to higher temperatures (≥750 K) leads to faceting via thermal etching as shown for the (110) surface, with a bulk In composition close to the In-rich limit of the existence domain of the cubic phase. The Pd-rich InPd(111) is found to be consistent with a Pd-terminated bulk truncation model as shown by dynamical LEED analysis while, after annealing at higher temperature, the In-rich InPd(111) is consistent with an In-terminated bulk truncation, in agreement with density functional theory (DFT) calculations of the relative surface energies. More complex surface structures are observed for the (100) surface. Additionally, individual grains of a polycrystalline sample are characterized by micro-spot XPS and LEED as well as low-energy electron microscopy. Results from both individual grains and “global” measurements are interpreted based on comparison to our single crystals findings, DFT calculations and previous literature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Modulating dual-wavelength multiple quantum wells in white light emitting diodes to suppress efficiency droop and improve color rendering index

In this paper, gallium nitride (GaN) based white light-emitting diodes (WLEDs) with modulated quantities of blue (In{sub 0.15}Ga{sub 0.85}N) quantum wells (QWs) and cyan QWs (In{sub 0.18}Ga{sub 0.82}N) in multiple QW (MQW) structures have been investigated numerically and experimentally. It is demonstrated that the optical performance of LEDs is sensitive to the quantities of cyan QWs in dual-wavelength MQW structures. Compared to the LEDs with respective 0, 4, and 8 cyan QWs (12 QWs in total), the optical performance of the sample with 6 cyan QWs is the best. The deterioration of the optical performance in the sample with less (4 pairs) cyan QWs or more (8 pairs) cyan QWs than 6 cyan QWs may be ascribed to weakened reservoir effect or more defects induced. Compared to conventional blue LEDs (12 blue QWs), the sample with 6 cyan QWs could effectively suppress the efficiency droop (the experimental droop ratio decreases from 50.3% to 39.5% at 80 A/cm{sup 2}) and significantly improve the color rendering index (CRI, increases from 66.4 to 77.0) simultaneously. We attribute the droop suppression to the strengthened reservoir effect and carrier confinement of deeper QWs (higher indium composition) incorporated in the dual-wavelength MQW structures, which lead to the better hole spreading and enhanced radiative recombination. Meanwhile, the remarkable experimental CRI improvement may result from the wider full-width at half-maximum of electroluminescence spectra and higher cyan intensity in WLED chips with dual-wavelength MQW structures.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Measurement of colloidal phenomena during flow through refractive index matched porous media

Colloidal phenomena in porous media, natural or engineered, are important in a breadth of science and technology applications, but fundamental understanding is hampered by the difficulty in measuring colloid deposit morphology in situ . To partially address this need, this work describes a static light scattering apparatus using a flow cell filled with refractive index matched (RIM) porous media, allowing real-time measurement of colloidal phenomena as a function of depth within the flow cell. A laser interacts with the colloids in the pore space and their structures, but not with the RIM media. The intensity of scattered light is measured as a function of scattering angle, which allows characterization of colloid deposit morphology as a fractal dimension and a radius of gyration. In parallel, fluid discharge rate and pressure drop are recorded to determine permeability, a key parameter for any application involving flow through porous media. This apparatus should prove useful in any application requiring characterization of colloidal phenomena within porous media. Additionally, this paper describes how to use granular Nafion as RIM porous media.

42 ENGINEERING↗
DOE OSTI2015

One-way acoustic mirror based on anisotropic zero-index media

We have designed a one-way acoustic mirror comprising anisotropic zero-index media. For acoustic beam incident at a particular angle, the designed structure behaves like a high-efficient mirror that redirects almost all the incident energy into another direction predicted by the Snell's law, while becoming virtually transparent to beams propagating reversely along this output path. Furthermore, the mirror can be tailored to work at arbitrary incident angle by simply adjusting its geometry. Our design, with undirectional reflection functionality and flexible working angle, may offer possibilities in space isolations and have deep implication in various scenarios like ultrasound imaging or noise control.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Ab-initio simulations of higher Miller index Si:SiO{sub 2} interfaces for fin field effect transistor and nanowire transistors

Models of three representative higher Miller index interfaces, Si(310):SiO{sub 2}, Si(410):SiO{sub 2}, and Si(331):SiO{sub 2}, have been built by an ab-initio molecular dynamics method. We show that each interface can be made as a fully bonded network without any defects and has a reasonable electronic structure for use in fin field effect transistors or gate-all-around nanowire devices. The differences in numbers of oxygen bridges are attributed to the intermediate sub-oxide components and the atomic step structure. The interface bonding schemes to passivate different densities of dangling bonds on different facets are also analyzed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Controllable pulse width of bright similaritons in a tapered graded index diffraction decreasing waveguide

We obtain the bright similariton solutions for generalized inhomogeneous nonlinear Schrödinger equation (GINLSE) which governs the pulse propagation in a tapered graded index diffraction decreasing waveguide (DDW). The exact solutions have been worked out by employing similarity transformations which involve the mapping of the GINLSE to standard NLSE for the certain conditions of the parameters. By making use of the exact analytical solutions, we have investigated the dynamical behavior of optical similariton pairs and have suggested the methods to control them as they propagate through DDW. Moreover, pulse width of similariton is controlled through various profiles. These results are helpful to understand the similaritons in DDW and can be potentially useful for future experiments in optical communications which involve optical amplifiers and long-haul telecommunication networks.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Enhanced emission of quantum dots embedded within the high-index dielectric regions of photonic crystal slabs

We demonstrate a method for combining sputtered TiO{sub 2} deposition with liquid phase dip-coating of a quantum dot (QD) layer that enables precise depth placement of QD emitters within a high-index dielectric film, using a photonic crystal (PC) slab resonator to demonstrate enhanced emission from the QDs when they are located at a specific depth within the film. The depth of the QDs within the PC is found to modulate the resonant wavelength of the PC as well as the emission enhancement efficiency, as the semiconducting material embedded within the dielectric changes its spatial overlap with the resonant mode.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Focusing of Rayleigh waves with gradient-index phononic crystals

We report on the subwavelength focusing of Rayleigh waves using gradient-index (GRIN) phononic crystals (PCs) made of air holes scatters in a thick silicon substrate. The subwavelength focusing is demonstrated both in the inner and in the silicon substrate behind the GRIN PCs by using a non-contact experimental technique. In both situations, the focal zone was observed at the position, which is in very good agreement with our theoretical predictions, at a frequency in the sound cone free of radiation into the substrate.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Calculations of oxide formation on low-index Cu surfaces

Density-functional theory is used to evaluate the mechanism of copper surface oxidation. Reaction pathways of O{sub 2} dissociation on the surface and oxidation of the sub-surface are found on the Cu(100), Cu(110), and Cu(111) facets. At low oxygen coverage, all three surfaces dissociate O{sub 2} spontaneously. As oxygen accumulates on the surfaces, O{sub 2} dissociation becomes more difficult. A bottleneck to further oxidation occurs when the surfaces are saturated with oxygen. The barriers for O{sub 2} dissociation on the O-saturated Cu(100)-c(2×2)-0.5 monolayer (ML) and Cu(100) missing-row structures are 0.97 eV and 0.75 eV, respectively; significantly lower than those have been reported previously. Oxidation of Cu(110)-c(6×2), the most stable (110) surface oxide, has a barrier of 0.72 eV. As the reconstructions grow from step edges, clean Cu(110) surfaces can dissociatively adsorb oxygen until the surface Cu atoms are saturated. After slight rearrangements, these surface areas form a “1 ML” oxide structure which has not been reported in the literature. The barrier for further oxidation of this “1 ML” phase is only 0.31 eV. Finally the oxidized Cu(111) surface has a relatively low reaction energy barrier for O{sub 2} dissociation, even at high oxygen coverage, and allows for facile oxidation of the subsurface by fast O diffusion through the surface oxide. The kinetic mechanisms found provide a qualitative explanation of the observed oxidation of the low-index Cu surfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Photon management with index-near-zero materials

Index-near-zero materials can be used for effective photon management. They help to restrict the angle of acceptance, resulting in greatly enhanced light trapping limit. In addition, these materials also decrease the radiative recombination, leading to enhanced open circuit voltage and energy efficiency in direct bandgap solar cells.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Mode selection in a directly diode-pumped Raman fibre laser using FBGs in a graded-index multimode fibre

We examine the selection of the fundamental transverse mode in a directly multimode-diode-pumped Raman laser with a cavity formed by fibre Bragg gratings (FBGs) in a graded-index fibre. The application of FBGs recorded by femtosecond radiation in the central region of the fibre core provides an unprecedentedly high (for lasers of this type) beam quality (M{sup 2}<1.2) at a lasing power above 5 W. (paper)

42 ENGINEERING↗
DOE OSTI2020

Numerical simulation of the beam self-cleaning process in a multimode graded-index fibre during propagation of a pump wave and a Stokes component

A model of coupled modes is proposed, which makes it possible to describe the propagation of a pump wave and a Stokes component in a multimode graded-index fibre. A decrease in the depression in the centre of the profile of the pump wave intensity distribution as a result of the influence of Kerr effects and random linear coupling of modes is demonstrated. (paper)

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Pump depletion in Raman lasing in a graded index multimode fibre

We examine multimode diode laser pump depletion in a graded index multimode (MM) fibre Raman laser generating a high-quality Stokes beam. Spatial ‘hole burning’ in the transmitted pump beam is demonstrated. A balance model is constructed for interaction of the pump and Stokes waves in the MM Raman laser. Analytical formulas are derived and used in calculations demonstrating qualitative agreement with experimental data. The origin of the observed quantitative discrepancies is discussed. (paper)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Using the optimal combined index weight ratio to improve the probability of anomaly detection in big area additive manufacturing

Big Area Additive Manufacturing (BAAM) of composites requires significant time, energy, and material, so it is critical to reduce production inefficiencies to make functional parts without multiple iterations. Statistical process control coupled with Principal Component Analysis (PCA) is a powerful technique that provides a quick, computationally inexpensive, and intuitive way for operators to detect defects that form in a manufacturing process without massive datasets. Recently, a combined index that is a weighted sum of the Hotelling's T 2 and squared residual error statistics has been proposed that can be monitored in one chart, improving interpretation accuracy and simplicity. However, the literature does not offer a formal method to optimise the weights. Here, we introduce two new approaches to the traditional weight selection approach using simulated and BAAM image data. Approach 1 uses a theoretically motivated optimum inspired by probabilistic principal component analysis. Approach 2 systematically varies the ratio of the weights to find the optimum. We show that approach 1 delivers optimal anomaly detection performance in select cases while approach 2 fares better in practice. Surprisingly, we also show that choosing a more complex PCA model has a minimal negative impact on anomaly detection performance compared to a more simplistic model.

3-dimensional printing↗
DOE OSTI2014

Low energy spectral index and E{sub p} evolution of quasi-thermal photosphere emission of gamma-ray bursts

Recent observations by the Fermi satellite suggest that a photosphere emission component is contributing to the observed spectrum of many gamma-ray bursts (GRBs). One important question is whether the photosphere component can interpret the typical 'Band' function of GRBs with a typical low energy photon spectral index α ∼ –1. We perform a detailed study of the photosphere emission spectrum by progressively introducing several physical ingredients previously not fully incorporated, including the probability distribution of the location of a dynamically evolving photosphere, superposition of emission from an equal arrival time 'volume' in a continuous wind, the evolution of optical depth of a wind with finite but evolving outer boundary, as well as the effect of different top-hat wind luminosity (L{sub w} ) profiles. By assuming a comoving blackbody spectrum emerging from the photosphere, we find that for an outflow with a constant or increasing L{sub w} , the low-energy spectrum below the peak energy (E{sub p} ), can be modified to F {sub ν} ∼ ν{sup 1.5} (α ∼ +0.5). A softer (–1 < α < +0.5) or flat (α = –1) spectrum can be obtained during the L{sub w} decreasing phase or high-latitude-emission-dominated phase. We also study the evolution of E{sub p} as a function of wind and photosphere luminosity in this photosphere model. An E{sub p} – L tracking pattern can be reproduced if a certain positive dependence between the dimensionless entropy η and L{sub w} is introduced. However, the hard-to-soft evolution pattern cannot be reproduced unless a contrived condition is invoked. In order to interpret the Band spectrum, a more complicated photosphere model or a different energy dissipation and radiation mechanism is needed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

A study of density modulation index in the inner heliospheric solar wind during solar cycle 23

The ratio of the rms electron density fluctuations to the background density in the solar wind (density modulation index, ε {sub N} ≡ ΔN/N) is of vital importance for understanding several problems in heliospheric physics related to solar wind turbulence. In this paper, we have investigated the behavior of ε {sub N} in the inner heliosphere from 0.26 to 0.82 AU. The density fluctuations ΔN have been deduced using extensive ground-based observations of interplanetary scintillation at 327 MHz, which probe spatial scales of a few hundred kilometers. The background densities (N) have been derived using near-Earth observations from the Advanced Composition Explorer. Our analysis reveals that 0.001 ≲ ε {sub N} ≲ 0.02 and does not vary appreciably with heliocentric distance. We also find that ε {sub N} declines by 8% from 1998 to 2008. We discuss the impact of these findings on problems ranging from our understanding of Forbush decreases to the behavior of the solar wind dynamic pressure over the recent peculiar solar minimum at the end of cycle 23.

79 ASTRONOMY AND ASTROPHYSICS↗