Rigid shape matching by segmentation averaging.

PubMed

Wang, Hongzhi; Oliensis, John

2010-04-01

We use segmentations to match images by shape. The new matching technique does not require point-to-point edge correspondence and is robust to small shape variations and spatial shifts. To address the unreliability of segmentations computed bottom-up, we give a closed form approximation to an average over all segmentations. Our method has many extensions, yielding new algorithms for tracking, object detection, segmentation, and edge-preserving smoothing. For segmentation, instead of a maximum a posteriori approach, we compute the "central" segmentation minimizing the average distance to all segmentations of an image. For smoothing, instead of smoothing images based on local structures, we smooth based on the global optimal image structures. Our methods for segmentation, smoothing, and object detection perform competitively, and we also show promising results in shape-based tracking.

Edge smoothing for real-time simulation of a polygon face object system as viewed by a moving observer

NASA Technical Reports Server (NTRS)

Lotz, Robert W. (Inventor); Westerman, David J. (Inventor)

1980-01-01

The visual system within an aircraft flight simulation system receives flight data and terrain data which is formated into a buffer memory. The image data is forwarded to an image processor which translates the image data into face vertex vectors Vf, defining the position relationship between the vertices of each terrain object and the aircraft. The image processor then rotates, clips, and projects the image data into two-dimensional display vectors (Vd). A display generator receives the Vd faces, and other image data to provide analog inputs to CRT devices which provide the window displays for the simulated aircraft. The video signal to the CRT devices passes through an edge smoothing device which prolongs the rise time (and fall time) of the video data inversely as the slope of the edge being smoothed. An operational amplifier within the edge smoothing device has a plurality of independently selectable feedback capacitors each having a different value. The values of the capacitors form a series which doubles as a power of two. Each feedback capacitor has a fast switch responsive to the corresponding bit of a digital binary control word for selecting (1) or not selecting (0) that capacitor. The control word is determined by the slope of each edge. The resulting actual feedback capacitance for each edge is the sum of all the selected capacitors and is directly proportional to the value of the binary control word. The output rise time (or fall time) is a function of the feedback capacitance, and is controlled by the slope through the binary control word.

Energetics of edge oxidization of graphene nanoribbons

NASA Astrophysics Data System (ADS)

Yasuma, Airi; Yamanaka, Ayaka; Okada, Susumu

2018-06-01

On the basis of the density functional theory, we studied the geometries and energetics of O atoms adsorbed on graphene edges for simulating the initial stage of the edge oxidization of graphene. Our calculations showed that oxygen atoms are preferentially adsorbed onto the graphene edges with the zigzag portion, resulting in a large adsorption energy of about 5 eV. On the other hand, the edges with armchair shape are rarely oxidized, or the oxidization causes substantial structural reconstructions, because of the stable covalent bond at the armchair edge with the triple bond nature. Furthermore, the energetics sensitively depends on the edge angles owing to the inhomogeneity of the charge density at the edge atomic sites.

Theory of Magnetic Edge States in Chiral Graphene Nanoribbons

NASA Astrophysics Data System (ADS)

Capaz, Rodrigo; Yazyev, Oleg; Louie, Steven

2011-03-01

Using a model Hamiltonian approach including electron Coulomb interactions, we systematically investigate the electronic structure and magnetic properties of chiral graphene nanoribbons. We show that the presence of magnetic edge states is an intrinsic feature of any smooth graphene nanoribbons with chiral edges, and discover a number of structure-property relations. Specifically, we describe how the edge-state energy gap, zone-boundary edge-state energy splitting, and magnetic moment per edge length depend on the nanoribbon width and chiral angle. The role of environmental screening effects is also studied. Our results address a recent experimental observation of signatures of magnetic ordering at smooth edges of chiral graphene nanoribbons and provide an avenue towards tuning their properties via the structural and environmental degrees of freedom. This work was supported by National Science Foundation Grant No. DMR10-1006184, the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 and the ONR MURI program. RBC acknowledges financial support from Brazilian agencies CNPq, FAPERJ and INCT-Nanomateriais de Carbono.

How lithium atoms affect the first hyperpolarizability of BN edge-doped graphene.

PubMed

Song, Yao-Dong; Wu, Li-Ming; Chen, Qiao-Ling; Liu, Fa-Kun; Tang, Xiao-Wen

2016-01-01

How do lithium atoms affect the first hyperpolarizability (β0) of boron-nitrogen (BN) edge-doped graphene. In this work, using pentacene as graphene model, Lin@BN-1 edge-doped pentacene and Lin@BN-2 edge-doped pentacene (n = 1, 5) were designed to study this problem. First, two models (BN-1 edge-doped pentacene, and BN-2 edge-doped pentacene ) were formed by doping the BN into the pentacene with different order, and then Li@BN-1 edge-doped pentacene and Li@ BN-2 edge-doped pentacene were obtained by substituting the H atom in BN edge-doped pentacene with a Li atom. The results show that the first hyperpolarizabilities of BN-1 edge-doped pentacene and Li@BN-1 edge-doped pentacene were 4059 a.u. and 6249 a.u., respectively; the first hyperpolarizabilities of BN-2 edge-doped pentacene and Li@BN-2 edge-doped pentacene were 2491 a.u. and 4265 a.u., respectively. The results indicate that the effect of Li substitution is to greatly increase the β0 value. To further enhance the first hyperpolarizability, Li5@ BN-1 edge-doped pentacene and Li5@BN-2 edge-doped pentacene were designed, and were found to exhibit considerably larger first hyperpolarizabilities (β0) (12,112 a.u. and 7921a.u., respectively). This work may inspire further study of the nonlinear properties of BN edge-doped graphene.

Direct in situ observations of single Fe atom catalytic processes and anomalous diffusion at graphene edges

PubMed Central

Zhao, Jiong; Deng, Qingming; Avdoshenko, Stanislav M.; Fu, Lei; Eckert, Jürgen; Rümmeli, Mark H.

2014-01-01

Single-atom catalysts are of great interest because of their high efficiency. In the case of chemically deposited sp2 carbon, the implementation of a single transition metal atom for growth can provide crucial insight into the formation mechanisms of graphene and carbon nanotubes. This knowledge is particularly important if we are to overcome fabrication difficulties in these materials and fully take advantage of their distinct band structures and physical properties. In this work, we present atomically resolved transmission EM in situ investigations of single Fe atoms at graphene edges. Our in situ observations show individual iron atoms diffusing along an edge either removing or adding carbon atoms (viz., catalytic action). The experimental observations of the catalytic behavior of a single Fe atom are in excellent agreement with supporting theoretical studies. In addition, the kinetics of Fe atoms at graphene edges are shown to exhibit anomalous diffusion, which again, is in agreement with our theoretical investigations. PMID:25331874

Wisps in the outer edge of the Keeler Gap

NASA Astrophysics Data System (ADS)

Tiscareno, M. S.; Arnault, E. G.

2014-12-01

The outer part of Saturn's A ring contains five sharp edges: the inner and outer edges of the Encke Gap and of the Keeler Gap (which contain the moons Pan and Daphnis, respectively), and the outer edge of the A ring itself. Four of these five edges are characterized by structure at moderate to high spatial frequencies, with amplitudes ranging from 2 to 30 km (Tiscareno et al. 2005, DPS). Only the outer edge of the Keeler Gap is reasonably smooth in appearance (Tiscareno et al. 2005, DPS), with occultations indicating residuals less than 1 km upon a possibly non-zero eccentricity (R.G. French, personal communication, 2014). Superposed upon the relatively smooth outer edge of the Keeler Gap are a system of "wisps," which appear to be ring material protruding inward into the gap, usually with a sharp trailing edge and a smooth gradation back to the background edge location on the leading side (Porco et al. 2005, Science). The radial amplitude of wisps is usually 0.5 to 1 km, and their azimuthal extent is approximately a degree of longitude (~2400 km). Wisps are likely caused by an interplay between Daphnis (and perhaps other moons) and embedded moonlets within the ring, though the details remain unclear. We will present a catalogue of wisp detections in Cassini images. We carry out repeated gaussian fits of the radial edge location in order to characterize edge structure (see Figure, which compares our fitted edge to the figure presented by Porco et al. 2005) and visually scan those fitted edges in order to detect wisps. With extensive coverage in longitude and in time, we will report on how wisps evolve and move, both within an orbit period and on longer timescales. We will also report on the frequency and interpretation of wisps that deviate from the standard morphology. We will discuss the implications of our results for the origin and nature of wisps, and for the larger picture of how masses interact within Saturn's rings.

Visual enhancement of unmixed multispectral imagery using adaptive smoothing

USGS Publications Warehouse

Lemeshewsky, G.P.; Rahman, Z.-U.; Schowengerdt, R.A.; Reichenbach, S.E.

2004-01-01

Adaptive smoothing (AS) has been previously proposed as a method to smooth uniform regions of an image, retain contrast edges, and enhance edge boundaries. The method is an implementation of the anisotropic diffusion process which results in a gray scale image. This paper discusses modifications to the AS method for application to multi-band data which results in a color segmented image. The process was used to visually enhance the three most distinct abundance fraction images produced by the Lagrange constraint neural network learning-based unmixing of Landsat 7 Enhanced Thematic Mapper Plus multispectral sensor data. A mutual information-based method was applied to select the three most distinct fraction images for subsequent visualization as a red, green, and blue composite. A reported image restoration technique (partial restoration) was applied to the multispectral data to reduce unmixing error, although evaluation of the performance of this technique was beyond the scope of this paper. The modified smoothing process resulted in a color segmented image with homogeneous regions separated by sharpened, coregistered multiband edges. There was improved class separation with the segmented image, which has importance to subsequent operations involving data classification.

Atomization of Impinging Droplets on Superheated Superhydrophobic Surfaces

NASA Astrophysics Data System (ADS)

Emerson, Preston; Crockett, Julie; Maynes, Daniel

2017-11-01

Water droplets impinging smooth superheated surfaces may be characterized by dynamic vapor bubbles rising to the surface, popping, and causing a spray of tiny droplets to erupt from the droplet. This spray is called secondary atomization. Here, atomization is quantified experimentally for water droplets impinging superheated superhydrophobic surfaces. Smooth hydrophobic and superhydrophobic surfaces with varying rib and post microstructuring were explored. Each surface was placed on an aluminum heating block, and impingement events were captured with a high speed camera at 3000 fps. For consistency among tests, all events were normalized by the maximum atomization found over a range of temperatures on a smooth hydrophobic surface. An estimate of the level of atomization during an impingement event was created by quantifying the volume of fluid present in the atomization spray. Droplet diameter and Weber number were held constant, and atomization was found for a range of temperatures through the lifetime of the impinging droplet. The Leidenfrost temperature was also determined and defined to be the lowest temperature at which atomization ceases to occur. Both atomization and Leidenfrost temperature increase with decreasing pitch (distance between microstructures).

Paronychia

MedlinePlus

... toenails, and an emery board for smoothing the edges. Trim nails after bathing, when they are softer. Trim fingernails with a slightly rounded edge. Trim toenails straight across and do not cut ...

Tunable electronic properties of partially edge-hydrogenated armchair boron-nitrogen-carbon nanoribbons.

PubMed

Alaal, Naresh; Medhekar, Nikhil; Shukla, Alok

2018-04-18

We employ a first-principles calculations based density-functional-theory (DFT) approach to study the electronic properties of partially and fully edge-hydrogenated armchair boron-nitrogen-carbon (BNC) nanoribbons (ABNCNRs), with widths between 0.85 nm to 2.3 nm. Due to the partial passivation of edges, the electrons, which do not participate in the bonding, form new energy states located near the Fermi-level. Because of these additional bands, some ABNCNRs exhibit metallic behavior, which is quite uncommon in armchair nanoribbons. Our calculations reveal that metallic behavior is observed for the following passivation patterns: (i) when the B atom from one edge and the N atom from another edge are unpassivated. (ii) when the N atoms from both the edges are unpassivated. (iii) when the C atom from one edge and the N atom from another edge are unpassivated. Furthermore, spin-polarization is also observed for certain passivation schemes, which is also quite uncommon for armchair nanoribbons. Thus, our results suggest that the ABNCNRs exhibit a wide range of electronic and magnetic properties in that the fully edge-hydrogenated ABNCNRs are direct band gap semiconductors, while the partially edge-hydrogenated ones are either semiconducting, or metallic, while simultaneously exhibiting spin polarization, based on the nature of passivation. We also find that the ribbons with larger widths are more stable as compared to the narrower ones.

Wisps in the outer edge of the Keeler Gap

NASA Astrophysics Data System (ADS)

Tiscareno, Matthew S.; Arnault, Ethan G.

2015-11-01

Superposed upon the relatively smooth outer edge of the Keeler Gap are a system of "wisps," which appear to be ring material protruding inward into the gap, usually with a sharp trailing edge and a smooth gradation back to the background edge location on the leading side (Porco et al. 2005, Science). The radial amplitude of wisps is usually 0.5 to 1 km, and their azimuthal extent is approximately a degree of longitude (~2400 km). Wisps are likely caused by an interplay between Daphnis (and perhaps other moons) and embedded moonlets within the ring, though the details remain unclear.Aside from the wisps, the Keeler Gap outer edge is the only one of the five sharp edges in the outer part of Saturn's A ring that is reasonably smooth in appearance (Tiscareno et al. 2005, DPS), with occultations indicating residuals less than 1 km upon a possibly non-zero eccentricity (R.G. French, personal communication, 2014). The other four (the inner and outer edges of the Encke Gap, the inner edge of the Keeler Gap, and the outer edge of the A ring itself) are characterized by wavy structure at moderate to high spatial frequencies, with amplitudes ranging from 2 to 30 km (Tiscareno et al. 2005, DPS).We will present a catalogue of wisp detections in Cassini images. We carry out repeated gaussian fits of the radial edge location in order to characterize edge structure and visually scan those fitted edges in order to detect wisps. With extensive coverage in longitude and in time, we will report on how wisps evolve and move, both within an orbit period and on longer timescales. We will also report on the frequency and interpretation of wisps that deviate from the standard morphology. We will discuss the implications of our results for the origin and nature of wisps, and for the larger picture of how masses interact within Saturn's rings.

Airfoil lance apparatus for homogeneous humidification and sorbent dispersion in a gas stream

DOEpatents

Myers, R.B.; Yagiela, A.S.

1990-12-25

An apparatus for spraying an atomized mixture into a gas stream comprises a stream line airfoil member having a large radius leading edge and a small radius trailing edge. A nozzle assembly pierces the trailing edge of the airfoil member and is concentrically surrounded by a nacelle which directs shielding gas from the interior of the airfoil member around the nozzle assembly. Flowable medium to be atomized and atomizing gas for atomizing the medium are supplied in concentric conduits to the nozzle. A plurality of nozzles each surrounded by a nacelle are spaced along the trailing edge of the airfoil member. 3 figs.

Airfoil lance apparatus for homogeneous humidification and sorbent dispersion in a gas stream

DOEpatents

Myers, Robert B.; Yagiela, Anthony S.

1990-12-25

An apparatus for spraying an atomized mixture into a gas stream comprises a stream line airfoil member having a large radius leading edge and a small radius trailing edge. A nozzle assembly pierces the trailing edge of the airfoil member and is concentrically surrounded by a nacelle which directs shielding gas from the interior of the airfoil member around the nozzle assembly. Flowable medium to be atomized and atomizing gas for atomizing the medium are supplied in concentric conduits to the nozzle. A plurality of nozzles each surrounded by a nacelle are spaced along the trailing edge of the airfoil member.

Atom-atom interactions around the band edge of a photonic crystal waveguide.

PubMed

Hood, Jonathan D; Goban, Akihisa; Asenjo-Garcia, Ana; Lu, Mingwu; Yu, Su-Peng; Chang, Darrick E; Kimble, H J

2016-09-20

Tailoring the interactions between quantum emitters and single photons constitutes one of the cornerstones of quantum optics. Coupling a quantum emitter to the band edge of a photonic crystal waveguide (PCW) provides a unique platform for tuning these interactions. In particular, the cross-over from propagating fields [Formula: see text] outside the bandgap to localized fields [Formula: see text] within the bandgap should be accompanied by a transition from largely dissipative atom-atom interactions to a regime where dispersive atom-atom interactions are dominant. Here, we experimentally observe this transition by shifting the band edge frequency of the PCW relative to the [Formula: see text] line of atomic cesium for [Formula: see text] atoms trapped along the PCW. Our results are the initial demonstration of this paradigm for coherent atom-atom interactions with low dissipation into the guided mode.

Segmentation of blurred objects using wavelet transform: application to x-ray images

NASA Astrophysics Data System (ADS)

Barat, Cecile S.; Ducottet, Christophe; Bilgot, Anne; Desbat, Laurent

2004-02-01

First, we present a wavelet-based algorithm for edge detection and characterization, which is an adaptation of Mallat and Hwang"s method. This algorithm relies on a modelization of contours as smoothed singularities of three particular types (transitions, peaks and lines). On the one hand, it allows to detect and locate edges at an adapted scale. On the other hand, it is able to identify the type of each detected edge point and to measure its amplitude and smoothing size. The latter parameters represent respectively the contrast and the smoothness level of the edge point. Second, we explain that this method has been integrated in a 3D bone surface reconstruction algorithm designed for computer-assisted and minimal invasive orthopaedic surgery. In order to decrease the dose to the patient and to obtain rapidly a 3D image, we propose to identify a bone shape from few X-ray projections by using statistical shape models registered to segmented X-ray projections. We apply this approach to pedicle screw insertion (scoliosis, fractures...) where ten to forty percent of the screws are known to be misplaced. In this context, the proposed edge detection algorithm allows to overcome the major problem of vertebrae segmentation in the X-ray images.

Improved mobility in InAlN/AlGaN two-dimensional electron gas heterostructures with an atomically smooth heterointerface

NASA Astrophysics Data System (ADS)

Hosomi, Daiki; Miyachi, Yuta; Egawa, Takashi; Miyoshi, Makoto

2018-04-01

We attempted to improve the mobility of InAlN/AlGaN two-dimensional electron gas (2DEG) heterostructures by achieving an atomically smooth heterointerface in metalorganic chemical vapor deposition processes. In the result, it was confirmed that the high-growth-rate AlGaN layer was very effective to improve the surface morphology. The atomically smooth surface morphology with a root-mean-square roughness of 0.26 nm was achieved for an Al0.15Ga0.85N layer under the growth rate of approximately 6 µm/h. Furthermore, nearly lattice-matched In0.17Al0.83N/Al0.15Ga0.85N 2DEG heterostructures with the atomically smooth heterointerface exhibited a 2DEG mobility of 242 cm2 V-1 s-1 with a 2DEG density of 2.6 × 1013/cm2, which was approximately 1.5 times larger than the mobility in a sample grown under original conditions.

Interaction transfer of silicon atoms forming Co silicide for Co/√(3)×√(3)R30°-Ag/Si(111) and related magnetic properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chang, Cheng-Hsun-Tony; Fu, Tsu-Yi; Tsay, Jyh-Shen, E-mail: jstsay@phy.ntnu.edu.tw

Combined scanning tunneling microscopy, Auger electron spectroscopy, and surface magneto-optic Kerr effect studies were employed to study the microscopic structures and magnetic properties for ultrathin Co/√(3)×√(3)R30°-Ag/Si(111). As the annealing temperature increases, the upward diffusion of Si atoms and formation of Co silicides occurs at temperature above 400 K. Below 600 K, the √(3)×√(3)R30°-Ag/Si(111) surface structure persists. We propose an interaction transferring mechanism of Si atoms across the √(3)×√(3)R30°-Ag layer. The upward transferred Si atoms react with Co atoms to form Co silicide. The step height across the edge of the island, a separation of 0.75 nm from the analysis of the 2 × 2 structure,more » and the calculations of the normalized Auger signal serve as strong evidences for the formation of CoSi{sub 2} at the interface. The interaction transferring mechanism for Si atoms enhances the possibility of interactions between Co and Si atoms. The smoothness of the surface is advantage for that the easy axis of magnetization for Co/√(3)×√(3)R30°-Ag/Si(111) is in the surface plane. This provides a possible way of growing flat magnetic layers on silicon substrate with controllable silicide formation and shows potential applications in spintronics devices.« less

Microfabricated instrument for tissue biopsy and analysis

DOEpatents

Krulevitch, Peter A.; Lee, Abraham P.; Northrup, M. Allen; Benett, William J.

1999-01-01

A microfabricated biopsy/histology instrument which has several advantages over the conventional procedures, including minimal specimen handling, smooth cutting edges with atomic sharpness capable of slicing very thin specimens (approximately 2 .mu.m or greater), micro-liter volumes of chemicals for treating the specimens, low cost, disposable, fabrication process which renders sterile parts, and ease of use. The cutter is a "cheese-grater" style design comprising a block or substrate of silicon and which uses anisotropic etching of the silicon to form extremely sharp and precise cutting edges. As a specimen is cut, it passes through the silicon cutter and lies flat on a piece of glass which is bonded to the cutter. Microchannels are etched into the glass or silicon substrates for delivering small volumes of chemicals for treating the specimen. After treatment, the specimens can be examined through the glass substrate. For automation purposes, microvalves and micropumps may be incorporated. Also, specimens in parallel may be cut and treated with identical or varied chemicals. The instrument is disposable due to its low cost and thus could replace current expensive microtome and histology equipment.

Investigation of the Hydraulic Characteristics of Capillary Elements of the Injector Head of Jet Engines under Conditions of Isothermal Flow of A Liquid

NASA Astrophysics Data System (ADS)

Nigodjuk, V. E.; Sulinov, A. V.

2018-01-01

The article presents the results of an experimental study of the hydraulic characteristics of capillary elements of the injector head of jet engines in isothermal fluid flow and the proposed method of their calculation. The main geometric dimensions of the capillaries in the experiment were changed in the following range: Inner diameter from 0.16 to 0.36 mm, length from 4.3 to 158 mm and relative length from 25 to 614 and the inlet edge of the capillaries: sharp or smooth the leading edge. As the working fluid during the tests were distilled water, acetone and ethyl alcohol. Based on the results of a study of the dependences for calculation of ultimate losses in laminar and turbulent flow regimes in capillary tubes with smooth and sharp edges input. The influence of surface tension forces on loss of input on a sharp cutting edge. Experimentally confirmed the possibility of calculating the linear coefficient of hydraulic resistance of capillary tubes with a diameter of 0.16-0.36 mm in isothermal stable during the known dependencies that are valid for hydrodynamically smooth round tube.

A guide to the design of electronic properties of graphene nanoribbons.

PubMed

Yazyev, Oleg V

2013-10-15

Graphene nanoribbons (GNRs) are one-dimensional nanostructures predicted to display a rich variety of electronic behaviors. Depending on their structure, GNRs realize metallic and semiconducting electronic structures with band gaps that can be tuned across broad ranges. Certain GNRs also exhibit a peculiar gapped magnetic phase for which the half-metallic state can be induced as well as the topologically nontrivial quantum spin Hall electronic phase. Because their electronic properties are highly tunable, GNRs have quickly become a popular subject of research toward the design of graphene-based nanostructures for technological applications. This Account presents a pedagogical overview of the various degrees of freedom in the atomic structure and interactions that researchers can use to tailor the electronic structure of these materials. The Account provides a broad picture of relevant physical concepts that would facilitate the rational design of GNRs with desired electronic properties through synthetic techniques. We start by discussing a generic model of zigzag GNR within the tight-binding model framework. We then explain how different modifications and extensions of the basic model affect the electronic band structures of GNRs. We classify the modifications based on the following categories: (1) electron-electron and spin-orbit interactions, (2) GNR configuration, which includes width and the crystallographic orientation of the nanoribbon (chirality), and (3) the local structure of the edge. We subdivide this last category into two groups: the effects of the termination of the π-electron system and the variations of electrostatic potential at the edge. This overview of the structure-property relationships provides a view of the many different electronic properties that GNRs can realize. The second part of this Account reviews three recent experimental methods for the synthesis of structurally well-defined GNRs. We describe a family of techniques that use patterning and etching of graphene and graphite to produce GNRs. Chemical unzipping of carbon nanotubes also provides a route toward producing chiral GNRs with atomically smooth edges. Scanning tunneling microscopy/spectroscopy investigations of these unzipped GNRs have revealed edge states and strongly suggest that these GNRs are magnetic. The third approach exploits the surface-assisted self-assembly of GNRs from molecular precursors. This powerful method can provide full control over the atomic structure of narrow nanoribbons and could eventually produce more complex graphene nanostructures.

Synchrotron studies of top-down grown silicon nanowires

NASA Astrophysics Data System (ADS)

Turishchev, S. Yu.; Parinova, E. V.; Nesterov, D. N.; Koyuda, D. A.; Sivakov, V.; Schleusener, A.; Terekhov, V. A.

2018-06-01

Morphology of the top-down grown silicon nanowires obtained by metal-assisted wet-chemical approach on silicon substrates with different resistance were studied by scanning electron microscopy. Obtained arrays of compact grown Si nanowires were a subject for the high resolution electronic structures studies by X-ray absorption near edge structure technique performed with the usage of high intensity synchrotron radiation of the SRC storage ring of the University of Wisconsin-Madison. The different oxidation rates were found by investigation of silicon atoms local surrounding specificity of the highly developed surface and near surface layer that is not exceeded 70 nm. Flexibility of the wires arrays surface morphology and its composition is demonstrated allowing smoothly form necessary surface oxidation rate and using Si nanowires as a useful matrixes for a wide range of further functionalization.

Smoothed Two-Dimensional Edges for Laminar Flow

NASA Technical Reports Server (NTRS)

Holmes, B. J.; Liu, C. H.; Martin, G. L.; Domack, C. S.; Obara, C. J.; Hassan, A.; Gunzburger, M. D.; Nicolaides, R. A.

1986-01-01

New concept allows passive method for installing flaps, slats, iceprotection equipment, and other leading-edge devices on natural-laminar-flow (NLF) wings without causing loss of laminar flow. Two-dimensional roughness elements in laminar boundary layers strategically shaped to increase critical (allowable) height of roughness. Facilitates installation of leading-edge devices by practical manufacturing methods.

Bayesian prestack seismic inversion with a self-adaptive Huber-Markov random-field edge protection scheme

NASA Astrophysics Data System (ADS)

Tian, Yu-Kun; Zhou, Hui; Chen, Han-Ming; Zou, Ya-Ming; Guan, Shou-Jun

2013-12-01

Seismic inversion is a highly ill-posed problem, due to many factors such as the limited seismic frequency bandwidth and inappropriate forward modeling. To obtain a unique solution, some smoothing constraints, e.g., the Tikhonov regularization are usually applied. The Tikhonov method can maintain a global smooth solution, but cause a fuzzy structure edge. In this paper we use Huber-Markov random-field edge protection method in the procedure of inverting three parameters, P-velocity, S-velocity and density. The method can avoid blurring the structure edge and resist noise. For the parameter to be inverted, the Huber-Markov random-field constructs a neighborhood system, which further acts as the vertical and lateral constraints. We use a quadratic Huber edge penalty function within the layer to suppress noise and a linear one on the edges to avoid a fuzzy result. The effectiveness of our method is proved by inverting the synthetic data without and with noises. The relationship between the adopted constraints and the inversion results is analyzed as well.

Mechanical properties and electronic structure of edge-doped graphene nanoribbons with F, O, and Cl atoms.

PubMed

Piriz, Sebastián; Fernández-Werner, Luciana; Pardo, Helena; Jasen, Paula; Faccio, Ricardo; Mombrú, Álvaro W

2017-08-16

In this study, we present the structural, electronic, and mechanical properties of edge-doped zigzag graphene nanoribbons (ZGNRs) doped with fluorine, oxygen, and chlorine atoms. To the best of our knowledge, to date, no experimental results concerning the mechanical properties of graphene-derived nanoribbons have been reported in the literature. Simulations indicate that Cl- and F-doped ZGNRs present an equivalent 2-dimensional Young's modulus E 2D , which seems to be higher than those of graphene and H-doped ZGNRs. This is a consequence of the electronic structure of the system, particularly originating from strong interactions between the dopant atoms localized at the edges. The interaction between dopant atoms located at the edges is higher for Cl and lower for F and O atoms. This is the origin of the observed trend, in which E > E > E for all the analyzed ZGNRs.

A first-principles study of electronic properties of H and F-terminated zigzag BNC nanoribbons

DOE Office of Scientific and Technical Information (OSTI.GOV)

Alaal, Naresh; Department of Physics, Indian Institute of Technology Bombay, Powai, Mumbai 400076, India.; Department of Materials Engineering, Monash University, Clayton, Victoria -3800, Australia.

2016-05-06

Nanoribbons are quasi one-dimensional structures which have interesting electronic properties on the basis of their edge geometries, and width. We studied the electronic properties of hydrogen and fluorine-terminated zigzag BNC nanoribbons (BNCNRs) using a first-principles based density functional theory approach. We considered BNCNRs that were composed of an equal number of C-C and B-N dimers; one of the edges ends with an N atom and opposite edge ends with a C atom. These two edge atoms are passivated by H or F atoms. Our results suggest that hydrogen-terminated BNCNRs (H-BNCNRs) and flourine-terminated BNCNRs (F-BNCNRs) have different electronic properties. H-BNCNRs exhibitmore » intrinsic half-metallic behavior while F-BNCNRs are indirect band gap semiconductors. Chemical functionalization of BNCNRs with H and F atoms show that BNCNRs have a diverse range of electronic properties.« less

Spirit Scans Winter Haven

NASA Image and Video Library

2006-04-24

This approximately true-color image shows paper-thin layers of light-toned, jagged-edged rocks; a light gray rock with smooth, rounded edges atop and drifts; and several dark gray to black, angular rocks with vesicles typical of hardened lava

Edge-augmented Fourier partial sums with applications to Magnetic Resonance Imaging (MRI)

NASA Astrophysics Data System (ADS)

Larriva-Latt, Jade; Morrison, Angela; Radgowski, Alison; Tobin, Joseph; Iwen, Mark; Viswanathan, Aditya

2017-08-01

Certain applications such as Magnetic Resonance Imaging (MRI) require the reconstruction of functions from Fourier spectral data. When the underlying functions are piecewise-smooth, standard Fourier approximation methods suffer from the Gibbs phenomenon - with associated oscillatory artifacts in the vicinity of edges and an overall reduced order of convergence in the approximation. This paper proposes an edge-augmented Fourier reconstruction procedure which uses only the first few Fourier coefficients of an underlying piecewise-smooth function to accurately estimate jump information and then incorporate it into a Fourier partial sum approximation. We provide both theoretical and empirical results showing the improved accuracy of the proposed method, as well as comparisons demonstrating superior performance over existing state-of-the-art sparse optimization-based methods.

Optical perturbation of atoms in weak localization

NASA Astrophysics Data System (ADS)

Yedjour, A.

2018-01-01

We determine the microscopic transport parameters that are necessary to describe the diffusion process of the atomic gas in optical speckle. We use the self-consistent theory to calculate the self-energy of the atomic gas. We compute the spectral function numerically by an average over disorder realizations in terms of the Greens function. We focus mainly on the behaviour of the energy distribution of the atoms to estimate a correction to the mobility edge. Our results show that the energy distribution of the atoms locates the mobility edge position under the disorder amplitude. This behaviour changes for each disorder parameter. We conclude that the disorder amplitude potential induced modification of the energy distribution of the atoms that plays a major role for the prediction of the mobility edge.

Fast global image smoothing based on weighted least squares.

PubMed

Min, Dongbo; Choi, Sunghwan; Lu, Jiangbo; Ham, Bumsub; Sohn, Kwanghoon; Do, Minh N

2014-12-01

This paper presents an efficient technique for performing a spatially inhomogeneous edge-preserving image smoothing, called fast global smoother. Focusing on sparse Laplacian matrices consisting of a data term and a prior term (typically defined using four or eight neighbors for 2D image), our approach efficiently solves such global objective functions. In particular, we approximate the solution of the memory-and computation-intensive large linear system, defined over a d-dimensional spatial domain, by solving a sequence of 1D subsystems. Our separable implementation enables applying a linear-time tridiagonal matrix algorithm to solve d three-point Laplacian matrices iteratively. Our approach combines the best of two paradigms, i.e., efficient edge-preserving filters and optimization-based smoothing. Our method has a comparable runtime to the fast edge-preserving filters, but its global optimization formulation overcomes many limitations of the local filtering approaches. Our method also achieves high-quality results as the state-of-the-art optimization-based techniques, but runs ∼10-30 times faster. Besides, considering the flexibility in defining an objective function, we further propose generalized fast algorithms that perform Lγ norm smoothing (0 < γ < 2) and support an aggregated (robust) data term for handling imprecise data constraints. We demonstrate the effectiveness and efficiency of our techniques in a range of image processing and computer graphics applications.

Symmetrical metallic and magnetic edge states of nanoribbon from semiconductive monolayer PtS2

NASA Astrophysics Data System (ADS)

Liu, Shan; Zhu, Heyu; Liu, Ziran; Zhou, Guanghui

2018-03-01

Transition metal dichalcogenides (TMD) MoS2 or graphene could be designed to metallic nanoribbons, which always have only one edge show metallic properties due to symmetric protection. In present work, a nanoribbon with two parallel metallic and magnetic edges was designed from a noble TMD PtS2 by employing first-principles calculations based on density functional theory (DFT). Edge energy, bonding charge density, band structure, density of states (DOS) and simulated scanning tunneling microscopy (STM) of four possible edge states of monolayer semiconductive PtS2 were systematically studied. Detailed calculations show that only Pt-terminated edge state among four edge states was relatively stable, metallic and magnetic. Those metallic and magnetic properties mainly contributed from 5d orbits of Pt atoms located at edges. What's more, two of those central symmetric edges coexist in one zigzag nanoribbon, which providing two atomic metallic wires thus may have promising application for the realization of quantum effects, such as Aharanov-Bohm effect and atomic power transmission lines in single nanoribbon.

X-ray absorption spectroscopic studies of the active sites of nickel- and copper-containing metalloproteins

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tan, Grace O.

1993-06-01

X-ray absorption spectroscopy (XAS) is a useful tool for obtaining structural and chemical information about the active sites of metalloproteins and metalloenzymes. Information may be obtained from both the edge region and the extended X-ray absorption fine structure (EXAFS) or post-edge region of the K-edge X-ray absorption spectrum of a metal center in a compound. The edge contains information about the valence electronic structure of the atom that absorbs the X-rays. It is possible in some systems to infer the redox state of the metal atom in question, as well as the geometry and nature of ligands connected to it,more » from the features in the edge in a straightforward manner. The EXAFS modulations, being produced by the backscattering of the ejected photoelectron from the atoms surrounding the metal atom, provide, when analyzed, information about the number and type of neighbouring atoms, and the distances at which they occur. In this thesis, analysis of both the edge and EXAFS regions has been used to gain information about the active sites of various metalloproteins. The metalloproteins studied were plastocyanin (Pc), laccase and nickel carbon monoxide dehydrogenase (Ni CODH). Studies of Cu(I)-imidazole compounds, related to the protein hemocyanin, are also reported here.« less

Edge-functionalization of armchair graphene nanoribbons with pentagonal-hexagonal edge structures.

PubMed

Ryou, Junga; Park, Jinwoo; Kim, Gunn; Hong, Suklyun

2017-06-21

Using density functional theory calculations, we have studied the edge-functionalization of armchair graphene nanoribbons (AGNRs) with pentagonal-hexagonal edge structures. While the AGNRs with pentagonal-hexagonal edge structures (labeled (5,6)-AGNRs) are metallic, the edge-functionalized (5,6)-AGNRs with substitutional atoms opens a band gap. We find that the band structures of edge-functionalized (5,6)-N-AGNRs by substitution resemble those of defect-free (N-1)-AGNR at the Γ point, whereas those at the X point show the original ones of the defect-free N-AGNR. The overall electronic structures of edge-functionalized (5,6)-AGNRs depend on the number of electrons, supplied by substitutional atoms, at the edges of functionalized (5,6)-AGNRs.

A parallel finite element procedure for contact-impact problems using edge-based smooth triangular element and GPU

NASA Astrophysics Data System (ADS)

Cai, Yong; Cui, Xiangyang; Li, Guangyao; Liu, Wenyang

2018-04-01

The edge-smooth finite element method (ES-FEM) can improve the computational accuracy of triangular shell elements and the mesh partition efficiency of complex models. In this paper, an approach is developed to perform explicit finite element simulations of contact-impact problems with a graphical processing unit (GPU) using a special edge-smooth triangular shell element based on ES-FEM. Of critical importance for this problem is achieving finer-grained parallelism to enable efficient data loading and to minimize communication between the device and host. Four kinds of parallel strategies are then developed to efficiently solve these ES-FEM based shell element formulas, and various optimization methods are adopted to ensure aligned memory access. Special focus is dedicated to developing an approach for the parallel construction of edge systems. A parallel hierarchy-territory contact-searching algorithm (HITA) and a parallel penalty function calculation method are embedded in this parallel explicit algorithm. Finally, the program flow is well designed, and a GPU-based simulation system is developed, using Nvidia's CUDA. Several numerical examples are presented to illustrate the high quality of the results obtained with the proposed methods. In addition, the GPU-based parallel computation is shown to significantly reduce the computing time.

Determination of interstitial oxygen atom position in U2N3+xOy by near edge structure study

NASA Astrophysics Data System (ADS)

Jiang, A. K.; Zhao, Y. W.; Long, Z.; Hu, Y.; Wang, X. F.; Yang, R. L.; Bao, H. L.; Zeng, R. G.; Liu, K. Z.

2018-06-01

The determination of interstitial oxygen atom site in U2N3+xOy film could facilitate the understanding of the oxidation mechanism of α-U2N3 and the effect of U2N3+xOy on anti-oxidation. By comparing the similarities and variances between N K edge and O K edge electron energy loss spectra (EELS) for oxidized α-U2N3 and UO2, the present work looks at the local structure of nitrogen and oxygen atoms in U2N3+xOy film, identifying the most possible position of interstitial O atom.

Origin of spin polarization in an edge boron doped zigzag graphene nanoribbon: a potential spin filter.

PubMed

Chakrabarty, Soubhik; Wasey, A H M Abdul; Thapa, Ranjit; Das, G P

2018-08-24

To realize a graphene based spintronic device, the prime challenge is to control the electronic structure of edges. In this work we find the origin of the spin filtering property in edge boron doped zigzag graphene nanoribbons (ZGNRs) and provide a guide to preparing a graphene based next-generation spin filter based device. Here, we unveil the role of orbitals (p-electron) to tune the electronic, magnetic and transport properties of edge B doped ZGNRs. When all the edge carbon atoms at one of the edges of ZGNRs are replaced by B (100% edge B doping), the system undergoes a semiconductor to metal transition. The role of passivation of the edge with single/double atomic hydrogen on the electronic properties and its relation with the p-electron is correlated in-depth. 50% edge B doped ZGNRs (50% of the edge C atoms at one of the edges are replaced by B) also show half-metallicity when the doped edge is left unpassivated. The half-metallic systems show 100% spin filtering efficiency for a wide range of bias voltages. Zero-bias transmission function of the other configurations shows asymmetric behavior for the up and down spin channels, thereby indicating their possible application potential in nano-spintronics.

Magneto-electronic properties of graphene nanoribbons with various edge structures passivated by phosphorus and hydrogen atoms.

PubMed

Yu, Z L; Wang, D; Zhu, Z; Zhang, Z H

2015-10-07

The electronic and magnetic structures of graphene nanoribbons (GNRs) with various edge structures passivated by P atoms are investigated systematically, and compared with H passivation as well. GNRs with the entire reconstructed Klein edge or armchair edge are found to be nonmagnetic regardless of P or H passivation. However, if the edge of GNRs is a mixture of zigzag edge and reconstructed Klein edge, they are nonmagnetic for H passivation but significantly magnetic for P passivation, which could be attributed to the "charge transfer doping" effect. And the corresponding magnetic device shows a noticeable negative differential resistance phenomenon and an excellent spin filtering effect under AP configuration, which originate from the special energy band structure. The GNRs with zigzag edge, reconstructed Klein edge, or mixed edge shapes are all metals in the nonmagnetic state regardless of the H or P atoms involved. The relationship between the energy gap and the width in armchair-edged GNRs by P passivation with a dimer structure also satisfies the 3p periodicity, but different in detail from the case of H passivation. The calculated edge formation energy indicates that P-passivated GNRs are energetically more favorable, suggesting that they can stably exist in the experiment.

Silver Teflon blanket: LDEF tray C-08

NASA Technical Reports Server (NTRS)

Crutcher, E. Russ; Nishimura, L. S.; Warner, K. J.; Wascher, W. W.

1992-01-01

A study of the Teflon blanket surface at the edge of tray C-08 illustrates the complexity of the microenvironments on the Long Duration Exposure Facility (LDEF). The distribution of particulate contaminants varied dramatically over a distance of half a centimeter (quarter of an inch) near the edge of the blanket. The geometry and optical effects of the atomic oxygen erosion varied significantly over the few centimeters where the blanket folded over the edge of the tray resulting in a variety of orientations to the atomic oxygen flux. A very complex region of combined mechanical and atomic oxygen damage occurred where the blanket contacted the edge of the tray. A brown film deposit apparently fixed by ultraviolet light traveling by reflection through the Teflon film was conspicuous beyond the tray contract zone. Chemical and structural analysis of the surface of the brown film and beyond toward the protected edge of the blanket indicated some penetration of energetic atomic oxygen at least five millimeters past the blanket-tray contact interface.

Electronic Structures of Silicene Nanoribbons: Two-Edge-Chemistry Modification and First-Principles Study.

PubMed

Yao, Yin; Liu, Anping; Bai, Jianhui; Zhang, Xuanmei; Wang, Rui

2016-12-01

In this paper, we investigate the structural and electronic properties of zigzag silicene nanoribbons (ZSiNRs) with edge-chemistry modified by H, F, OH, and O, using the ab initio density functional theory method and local spin-density approximation. Three kinds of spin polarized configurations are considered: nonspin polarization (NM), ferromagnetic spin coupling for all electrons (FM), ferromagnetic ordering along each edge, and antiparallel spin orientation between the two edges (AFM). The H, F, and OH groups modified 8-ZSiNRs have the AFM ground state. The directly edge oxidized (O1) ZSiNRs yield the same energy and band structure for NM, FM, and AFM configurations, owning to the same s p (2) hybridization. And replacing the Si atoms on the two edges with O atoms (O2) yields FM ground state. The edge-chemistry-modified ZSiNRs all exhibit metallic band structures. And the modifications introduce special edge state strongly localized at the Si atoms in the edge, except for the O1 form. The modification of the zigzag edges of silicene nanoribbons is a key issue to apply the silicene into the field effect transistors (FETs) and gives more necessity to better understand the experimental findings.

Probing cluster surface morphology by cryo spectroscopy of N2 on cationic nickel clusters

NASA Astrophysics Data System (ADS)

Dillinger, Sebastian; Mohrbach, Jennifer; Niedner-Schatteburg, Gereon

2017-11-01

We present the cryogenic (26 K) IR spectra of selected [Nin(N2)m]+ (n = 5-20, m = 1 - mmax), which strongly reveal n- and m-dependent features in the N2 stretching region, in conjunction with density functional theory modeling of some of these findings. The observed spectral features allow us to refine the kinetic classification [cf. J. Mohrbach, S. Dillinger, and G. Niedner-Schatteburg, J. Chem. Phys. 147, 184304 (2017)] and to define four classes of structure related surface adsorption behavior: Class (1) of Ni6+, Ni13+, and Ni19+ are highly symmetrical clusters with all smooth surfaces of equally coordinated Ni atoms that entertain stepwise N2 adsorption up to stoichiometric N2:Nisurface saturation. Class (2) of Ni12+ and Ni18+ are highly symmetrical clusters minus one. Their relaxed smooth surfaces reorganize by enhanced N2 uptake toward some low coordinated Ni surface atoms with double N2 occupation. Class (3) of Ni5+ and Ni7+ through Ni11+ are small clusters of rough surfaces with low coordinated Ni surface atoms, and some reveal semi-internal Ni atoms of high next-neighbor coordination. Surface reorganization upon N2 uptake turns rough into rough surface by Ni atom migration and turns octahedral based structures into pentagonal bipyramidal structures. Class (4) of Ni14+ through Ni17+ and Ni20+ are large clusters with rough and smooth surface areas. They possess smooth icosahedral surfaces with some proximate capping atom(s) on one hemisphere of the icosahedron with the other one largely unaffected.

Finite-size effect on the dynamic and sensing performances of graphene resonators: the role of edge stress.

PubMed

Kim, Chang-Wan; Dai, Mai Duc; Eom, Kilho

2016-01-01

We have studied the finite-size effect on the dynamic behavior of graphene resonators and their applications in atomic mass detection using a continuum elastic model such as modified plate theory. In particular, we developed a model based on von Karman plate theory with including the edge stress, which arises from the imbalance between the coordination numbers of bulk atoms and edge atoms of graphene. It is shown that as the size of a graphene resonator decreases, the edge stress depending on the edge structure of a graphene resonator plays a critical role on both its dynamic and sensing performances. We found that the resonance behavior of graphene can be tuned not only through edge stress but also through nonlinear vibration, and that the detection sensitivity of a graphene resonator can be controlled by using the edge stress. Our study sheds light on the important role of the finite-size effect in the effective design of graphene resonators for their mass sensing applications.

Spirit Scans Winter Haven False Color

NASA Image and Video Library

2006-04-24

This false-color image shows paper-thin layers of light-toned, jagged-edged rocks; a light gray rock with smooth, rounded edges atop and drifts; and several dark gray to black, angular rocks with vesicles typical of hardened lava scattered across the sand

Nonuniform transmission line codirectional couplers for hybrid MIMIC and superconductive applications

NASA Astrophysics Data System (ADS)

Uysal, Sener; Turner, Charles W.; Watkins, John

1994-03-01

A new design approach for thin-film codirectional quadrature couplers and their applications is described. An in-depth analysis and semi-empirical design curves are presented for these couplers. Forward-wave coupling is achieved by making use of the difference between even- and odd-mode phase velocities. Modified nonuniform codirectional couplers with a dummy channel for continuously decreasing or increasing taper and employing wiggly, serpentined and smooth coupled edges have been designed and tested. It is found that a wiggly coupler can achieve a 50% length reduction compared to a smooth-edge coupler. A further 60% length reduction compared to a wiggly coupler is achieved by a serpentine coupler. Coupler performance for wiggly and serpentined configurations is computed by choosing a realizable phase velocity function for a given coupler length. Either constant 90deg or - 90deg phase shift is possible with these couplers giving significant design flexibility in some applications. The results for a K(sub u)-band Sigma-Delta Magic-T circuit employing a 0 dB wiggly coupler and a - 3 dB smooth-edge coupler are also presented.

Mechanism of Contact between a Droplet and an Atomically Smooth Substrate

NASA Astrophysics Data System (ADS)

Lo, Hau Yung; Liu, Yuan; Xu, Lei

2017-04-01

When a droplet gently lands on an atomically smooth substrate, it will most likely contact the underlying surface in about 0.1 s. However, theoretical estimation from fluid mechanics predicts a contact time of 10-100 s. What causes this large discrepancy, and how does nature speed up contact by 2 orders of magnitude? To probe this fundamental question, we prepare atomically smooth substrates by either coating a liquid film on glass or using a freshly cleaved mica surface, and visualize the droplet contact dynamics with 30-nm resolution. Interestingly, we discover two distinct speed-up approaches: (1) droplet skidding due to even minute perturbations breaks rotational symmetry and produces early contact at the thinnest gap location, and (2) for the unperturbed situation with rotational symmetry, a previously unnoticed boundary flow around only 0.1 mm /s expedites air drainage by over 1 order of magnitude. Together, these two mechanisms universally explain general contact phenomena on smooth substrates. The fundamental discoveries shed new light on contact and drainage research.

Detecting the Edge of the Tongue: A Tutorial

ERIC Educational Resources Information Center

Iskarous, Khalil

2005-01-01

The goal of this paper is to provide a tutorial introduction to the topic of edge detection of the tongue from ultrasound scans for researchers in speech science and phonetics. The method introduced here is Active Contours (also called snakes), a method for searching for an edge, assuming that it is a smooth curve in the image data. The advantage…

The dressed atom as binary phase modulator: towards attojoule/edge optical phase-shift keying.

PubMed

Kerckhoff, Joseph; Armen, Michael A; Pavlichin, Dmitri S; Mabuchi, Hideo

2011-03-28

We use a single 133Cs atom strongly coupled to an optical resonator to induce random binary phase modulation of a near infra-red, ∼ 500 pW laser beam, with each modulation edge caused by the dissipation of a single photon (≈ 0.23 aJ) by the atom. While our ability to deterministically induce phase edges with an additional optical control beam is limited thus far, theoretical analysis of an analogous, solid-state system indicates that efficient external control should be achievable in demonstrated nanophotonic systems.

Effect of edge defects on band structure of zigzag graphene nanoribbons

NASA Astrophysics Data System (ADS)

Wadhwa, Payal; Kumar, Shailesh; Dhilip Kumar, T. J.; Shukla, Alok; Kumar, Rakesh

2018-04-01

In this article, we report band structure studies of zigzag graphene nanoribbons (ZGNRs) on introducing defects (sp3 hybridized carbon atoms) in different concentrations at edges by varying the ratio of sp3 to sp2 hybridized carbon atoms. On the basis of theoretical analyses, bandgap values of ZGNRs are found to be strongly dependent on the relative arrangement of sp3 to sp2 hybridized carbon atoms at the edges for a defect concentration; so the findings would greatly help in understanding the bandgap of nanoribbons for their electronic applications.

Experimental Investigation of Dynamic Stall on an Airfoil with Leading Edge Tubercles

NASA Astrophysics Data System (ADS)

Hrynuk, John; Bohl, Douglas

2013-11-01

Humpback whales are unique in that their flippers have leading edge ``bumps'' or tubercles. Past work on airfoils modeled after whale flippers has centered on the static aerodynamic characteristics of these airfoils. In the current work, NACA 0012 airfoils modified with leading edge tubercles are investigated to determine the effect of the tubercles on the dynamic characteristics, specifically on dynamic stall vortex formation, of the airfoils. Molecular Tagging Velocimetry (MTV) is used to measure the flow field around the modified airfoils at nondimensional pitch rates of Ω = 0.1, 0.2, and 0.4. The results show that the characteristics of the dynamics stall vortex are dependent on the location relative to the peak or valley of the leading edge bumps. These characteristics are also found to be different than those observed in dynamic stall on a smooth leading edge airfoil. In specific, the location of the dynamic stall vortex appears to form further aft on the airfoil for the tubercle case versus the smooth case. This work supported by NSF Grant # 0845882.

Atom–atom interactions around the band edge of a photonic crystal waveguide

PubMed Central

Hood, Jonathan D.; Goban, Akihisa; Asenjo-Garcia, Ana; Lu, Mingwu; Yu, Su-Peng; Chang, Darrick E.; Kimble, H. J.

2016-01-01

Tailoring the interactions between quantum emitters and single photons constitutes one of the cornerstones of quantum optics. Coupling a quantum emitter to the band edge of a photonic crystal waveguide (PCW) provides a unique platform for tuning these interactions. In particular, the cross-over from propagating fields E(x)∝e±ikxx outside the bandgap to localized fields E(x)∝e−κx|x| within the bandgap should be accompanied by a transition from largely dissipative atom–atom interactions to a regime where dispersive atom–atom interactions are dominant. Here, we experimentally observe this transition by shifting the band edge frequency of the PCW relative to the D1 line of atomic cesium for N¯=3.0±0.5 atoms trapped along the PCW. Our results are the initial demonstration of this paradigm for coherent atom–atom interactions with low dissipation into the guided mode. PMID:27582467

Structural and optical properties of low temperature grown AlN films on sapphire using helicon sputtering system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Meei-Ru; Chen, Hou-Guang; Kao, Hui-Ling, E-mail: hlkao@cycu.edu.tw

2015-05-15

AlN thin films have been deposited directly on c-plane sapphire substrates at low temperatures by a helicon sputtering system. The structural quality of AlN epitaxial films was characterized by x-ray diffractometry and transmission electron microscopy. The films exhibit smooth surface with root-mean-square roughness as small as 0.7 nm evaluated by atomic force microscope. The optical transmittance spectra show a steep absorption edge at the wavelength of 200 nm and a high transmittance of over 80% in the visible range. The band-edge transition (6.30 eV) of AlN film was observed in the cathodoluminescence spectrum recorded at 11 K. The spectral response of metal–semiconductor–metal photodetectors constructedmore » with AlN/sapphire reveals the peak responsivity at 200 nm and a UV/visible rejection ratio of about two orders of magnitude. The results of this low temperature deposition suggest the feasibility of the epitaxial growth of AlN on sapphire substrates and the incorporation of the AlN films in the surface acoustic wave devices and the optical devices at deep ultraviolet region.« less

Near atomically smooth alkali antimonide photocathode thin films

DOE PAGES

Feng, Jun; Karkare, Siddharth; Nasiatka, James; ...

2017-01-24

Nano-roughness is one of the major factors degrading the emittance of electron beams that can be generated by high efficiency photocathodes, such as the thermally reacted alkali antimonide thin films. In this paper, we demonstrate a co-deposition based method for producing alkali antimonide cathodes that produce near atomic smoothness with high reproducibility. Here, we calculate the effect of the surface roughness on the emittance and show that such smooth cathode surfaces are essential for operation of alkali antimonide cathodes in high field, low emittance radio frequency electron guns and to obtain ultracold electrons for ultrafast electron diffraction applications.

Near atomically smooth alkali antimonide photocathode thin films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Feng, Jun; Karkare, Siddharth; Nasiatka, James

Nano-roughness is one of the major factors degrading the emittance of electron beams that can be generated by high efficiency photocathodes, such as the thermally reacted alkali antimonide thin films. In this paper, we demonstrate a co-deposition based method for producing alkali antimonide cathodes that produce near atomic smoothness with high reproducibility. Here, we calculate the effect of the surface roughness on the emittance and show that such smooth cathode surfaces are essential for operation of alkali antimonide cathodes in high field, low emittance radio frequency electron guns and to obtain ultracold electrons for ultrafast electron diffraction applications.

Segmentation of neuroanatomy in magnetic resonance images

NASA Astrophysics Data System (ADS)

Simmons, Andrew; Arridge, Simon R.; Barker, G. J.; Tofts, Paul S.

1992-06-01

Segmentation in neurological magnetic resonance imaging (MRI) is necessary for feature extraction, volume measurement and for the three-dimensional display of neuroanatomy. Automated and semi-automated methods offer considerable advantages over manual methods because of their lack of subjectivity, their data reduction capabilities, and the time savings they give. We have used dual echo multi-slice spin-echo data sets which take advantage of the intrinsically multispectral nature of MRI. As a pre-processing step, a rf non-uniformity correction is applied and if the data is noisy the images are smoothed using a non-isotropic blurring method. Edge-based processing is used to identify the skin (the major outer contour) and the eyes. Edge-focusing has been used to significantly simplify edge images and thus allow simple postprocessing to pick out the brain contour in each slice of the data set. Edge- focusing is a technique which locates significant edges using a high degree of smoothing at a coarse level and tracks these edges to a fine level where the edges can be determined with high positional accuracy. Both 2-D and 3-D edge-detection methods have been compared. Once isolated, the brain is further processed to identify CSF, and, depending upon the MR pulse sequence used, the brain itself may be sub-divided into gray matter and white matter using semi-automatic contrast enhancement and clustering methods.

Surface morphological evolution of epitaxial CrN(001) layers

NASA Astrophysics Data System (ADS)

Frederick, J. R.; Gall, D.

2005-09-01

CrN layers, 57 and 230 nm thick, were grown on MgO(001) at Ts=600-800 °C by ultrahigh-vacuum magnetron sputter deposition in pure N2 discharges from an oblique deposition angle α=80°. Layers grown at 600 °C nucleate as single crystals with a cube-on-cube epitaxial relationship with the substrate. However, rough surfaces with cauliflower-type morphologies cause the nucleation of misoriented CrN grains that develop into cone-shaped grains that protrude out of the epitaxial matrix to form triangular faceted surface mounds. The surface morphology of epitaxial CrN(001) grown at 700 °C is characterized by dendritic ridge patterns extending along the orthogonal <110> directions superposed by square-shaped super mounds with <100> edges. The ridge patterns are attributed to a Bales-Zangwill instability while the supermounds form due to atomic shadowing which leads to the formation of epitaxial inverted pyramids that are separated from the surrounding layer by tilted nanovoids. Growth at 800 °C yields complete single crystals with smooth surfaces. The root-mean-square surface roughness for 230-nm-thick layers decreases from 18.8 to 9.3 to 1.1 nm as Ts is raised from 600 to 700 to 800 °C. This steep decrease is due to a transition in the roughening mechanism from atomic shadowing to kinetic roughening. Atomic shadowing is dominant at 600 and 700 °C, where misoriented grains and supermounds, respectively, capture a larger fraction of the oblique deposition flux in comparison to the surrounding epitaxial matrix, resulting in a high roughening rate that is described by a power law with an exponent β>0.5. In contrast, kinetic roughening controls the surface morphology for Ts=800 °C, as well as the epitaxial fraction of the layers grown at 600 and 700 °C, yielding relatively smooth surfaces and β<=0.27.

Effects of erbium,chromium:YSGG laser irradiation on canine mandibular bone.

PubMed

Kimura, Y; Yu, D G; Fujita, A; Yamashita, A; Murakami, Y; Matsumoto, K

2001-09-01

Only relatively few reports have described the morphological effects on bone produced by erbium,chromium: yttrium,scandium,gallium,garnet (Er,Cr:YSGG) laser irradiation, and none has investigated the atomic changes or estimated the temperature increases involved. The objectives of this study were to investigate the morphological, atomic, and temperature changes in irradiated areas during and after laser irradiation, and to evaluate the cutting effect on canine mandibular bone in vitro. Two canine mandibular bones were cut into 3 to 5 cm pieces and irradiated by an Er,Cr:YSGG laser utilizing a water-air spray at 5 W and 8 Hz for 10 or 30 seconds. During and after laser irradiation, temperature increases in the irradiated areas were measured by thermography. The samples were then observed by stereoscopy and scanning electron microscopy to determine morphological changes and by energy dispersive x-ray spectroscopy to evaluate atomic alterations. Regular holes or grooves having sharp edges and smooth walls were produced, but no melting or carbonization was observed. The maximum temperature increase was an average 12.6 degrees C for 30-second irradiation. The continuous time of a temperature increase of more than 10 degrees C was consistently less than 10 seconds. An atomic analytical examination revealed that the calcium:phosphorus ratio was not significantly changed between the lased and unlased areas (P>0.0 1). These results showed that the Er,Cr:YSGG laser cuts canine mandibular bone effectively without burning, melting, or altering the calcium:phosphorus ratio of the irradiated bone.

Computational experience with a parallel algorithm for tetrangle inequality bound smoothing.

PubMed

Rajan, K; Deo, N

1999-09-01

Determining molecular structure from interatomic distances is an important and challenging problem. Given a molecule with n atoms, lower and upper bounds on interatomic distances can usually be obtained only for a small subset of the 2(n(n-1)) atom pairs, using NMR. Given the bounds so obtained on the distances between some of the atom pairs, it is often useful to compute tighter bounds on all the 2(n(n-1)) pairwise distances. This process is referred to as bound smoothing. The initial lower and upper bounds for the pairwise distances not measured are usually assumed to be 0 and infinity. One method for bound smoothing is to use the limits imposed by the triangle inequality. The distance bounds so obtained can often be tightened further by applying the tetrangle inequality--the limits imposed on the six pairwise distances among a set of four atoms (instead of three for the triangle inequalities). The tetrangle inequality is expressed by the Cayley-Menger determinants. For every quadruple of atoms, each pass of the tetrangle inequality bound smoothing procedure finds upper and lower limits on each of the six distances in the quadruple. Applying the tetrangle inequalities to each of the (4n) quadruples requires O(n4) time. Here, we propose a parallel algorithm for bound smoothing employing the tetrangle inequality. Each pass of our algorithm requires O(n3 log n) time on a REW PRAM (Concurrent Read Exclusive Write Parallel Random Access Machine) with O(log(n)n) processors. An implementation of this parallel algorithm on the Intel Paragon XP/S and its performance are also discussed.

Transition metal atomic multiplets in the ligand K-edge x-ray absorption spectra and multiple oxidation states in the L2,3 emission of strongly correlated compounds

NASA Astrophysics Data System (ADS)

Jiménez-Mier, J.; Olalde-Velasco, P.; Yang, W.-L.; Denlinger, J.

2014-07-01

We present results that show that atomic multiplet ligand field calculations are in very good agreement with experimental x-ray absorption spectra at the L2,3 edge of transition metal (TM) di-fluorides (MF2, MCrCu). For chromium more than one TM oxidation state is needed to achieve such an agreement. We also show that signature of the TM atomic multiplet can be found at the pre-edge of the fluorine K-edge x-ray absorption spectra. TM atomic multiplet ligand field calculations with a structureless core hole show good agreement with the observed pre-edges in the experimental fluorine absorption spectra. Preliminary results for the comparison between calculated and experimental resonant x-ray emission spectra for nominal CrF2 with more than one oxidation state indicate the presence of three chromium oxidation states in the bulk.

Edge-spin-derived magnetism in few-layer MoS2 nanomeshes

NASA Astrophysics Data System (ADS)

Kondo, G.; Yokoyama, N.; Yamada, S.; Hashimoto, Y.; Ohata, C.; Katsumoto, S.; Haruyama, J.

2017-12-01

Magnetism arising from edge spins is highly interesting, particularly in 2D atomically thin materials in which the influence of edges becomes more significant. Among such materials, molybdenum disulfide (MoS2; one of the transition metal dichalcogenide (TMD) family) is attracting significant attention. The causes for magnetism observed in the TMD family, including in MoS2, have been discussed by considering various aspects, such as pure zigzag atomic-structure edges, grain boundaries, and vacancies. Here, we report the observation of ferromagnetism (FM) in few-layer MoS2 nanomeshes (NMs; honeycomb-like array of hexagonal nanopores with low-contamination and low-defect pore edges), which have been created by a specific non-lithographic method. We confirm robust FM arising from pore edges in oxygen(O)-terminated MoS2-NMs at room temperature, while it disappears in hydrogen(H)-terminated samples. The observed high-sensitivity of FM to NM structures and critical annealing temperatures suggest a possibility that the Mo-atom dangling bond in pore edge is a dominant factor for the FM.

Exposure of LDEF materials to atomic oxygen: Results of EOIM 3

NASA Technical Reports Server (NTRS)

Jaggers, C. H.; Meshishnek, M. J.

1995-01-01

The third Effects of Oxygen Atom Interaction with Materials (EOIM 3) experiment flew on STS-46 from July 31 to August 8, 1992. The EOIM-3 sample tray was exposed to the low-earth orbit space environment for 58.55 hours at an altitude of 124 nautical miles resulting in a calculated total atomic oxygen (AO) fluence of 1.99 x 10(exp 20) atoms/sq cm. Five samples previously flown on the Long Duration Exposure Facility (LDEF) Experiment M0003 were included on the Aerospace EOIM 3 experimental tray: (1) Chemglaze A276 white thermal control paint from the LDEF trailing edge (TE); (2) S13GLO white thermal control paint from the LDEF TE; (3) S13GLO from the LDEF leading edge (LE) with a visible contamination layer from the LDEF mission; (4) Z306 black thermal control paint from the LDEF TE with a contamination layer from the LDEF mission; and (5) anodized aluminum from the LDEF TE with a contamination layer from the LDEF mission. The purpose of this experiment was twofold: (l) investigate the response of trailing edge LDEF materials to atomic oxygen exposure, thereby simulating LDEF leading edge phenomena; (2) investigate the response of contaminated LDEF samples to atomic oxygen in attempts to understand LDEF contamination-atomic oxygen interactions. This paper describes the response of these materials to atomic oxygen exposure, and compares the results of the EOIM 3 experiment to the LDEF mission and to ground-based atomic oxygen exposure studies.

Structural determination of Bi-doped magnetite multifunctional nanoparticles for contrast imaging.

PubMed

Laguna-Marco, M A; Piquer, C; Roca, A G; Boada, R; Andrés-Vergés, M; Veintemillas-Verdaguer, S; Serna, C J; Iadecola, A; Chaboy, J

2014-09-14

To determine with precision how Bi atoms are distributed in Bi-doped iron oxide nanoparticles their structural characterization has been carried out by X-ray absorption spectroscopy (XAS) recorded at the K edge of Fe and at the L3 edge of Bi. The inorganic nanoparticles are nominally hybrid structures integrating an iron oxide core and a bismuth oxide shell. Fe K-edge XAS indicates the formation of a structurally ordered, non-stoichiometric magnetite (Fe3-δO4) phase for all the nanoparticles. The XAS spectra show that, in the samples synthesized by precipitation in aqueous media and laser pyrolysis, the Bi atoms neither enter into the iron oxide spinel lattice nor form any other mixed Bi-Fe oxides. No modification of the local structure around the Fe atoms induced by the Bi atoms is observed at the Fe K edge. In addition, contrary to expectations, our results indicate that the Bi atoms do not form a well-defined Bi oxide structure. The XAS study at the Bi L3 edge indicates that the environment around Bi atoms is highly disordered and only a first oxygen coordination shell is observed. Indefinite [BiO6-x(OH)x] units (isolated or aggregated forming tiny amorphous clusters) bonded through hydroxyl bridges to the nanoparticle, rather than a well defined Bi2O3 shell, surround the nanoparticle. On the other hand, the XAS study indicates that, in the samples synthesized by thermal decomposition, the Bi atoms are embedded in a longer range ordered structure showing the first and second neighbors.

Classification Order of Surface-Confined Intermixing at Epitaxial Interface

NASA Astrophysics Data System (ADS)

Michailov, M.

The self-organization phenomena at epitaxial interface hold special attention in contemporary material science. Being relevant to the fundamental physical problem of competing, long-range and short-range atomic interactions in systems with reduced dimensionality, these phenomena have found exacting academic interest. They are also of great technological importance for their ability to bring spontaneous formation of regular nanoscale surface patterns and superlattices with exotic properties. The basic phenomenon involved in this process is surface diffusion. That is the motivation behind the present study which deals with important details of diffusion scenarios that control the fine atomic structure of epitaxial interface. Consisting surface imperfections (terraces, steps, kinks, and vacancies), the interface offers variety of barriers for surface diffusion. Therefore, the adatoms and clusters need a certain critical energy to overcome the corresponding diffusion barriers. In the most general case the critical energies can be attained by variation of the system temperature. Hence, their values define temperature limits of system energy gaps associated with different diffusion scenarios. This systematization imply classification order of surface alloying: blocked, incomplete, and complete. On that background, two diffusion problems, related to the atomic-scale surface morphology, will be discussed. The first problem deals with diffusion of atomic clusters on atomically smooth interface. On flat domains, far from terraces and steps, we analyzed the impact of size, shape, and cluster/substrate lattice misfit on the diffusion behavior of atomic clusters (islands). We found that the lattice constant of small clusters depends on the number N of building atoms at 1 < N ≤ 10. In heteroepitaxy, this effect of variable lattice constant originates from the enhanced charge transfer and the strong influence of the surface potential on cluster atomic arrangement. At constant temperature, the variation of the lattice constant leads to variable misfit which affects the island migration. The cluster/substrate commensurability influences the oscillation behavior of the diffusion coefficient caused by variation in the cluster shape. We discuss the results in a physical model that implies cluster diffusion with size-dependent cluster/substrate misfit. The second problem is devoted to diffusion phenomena in the vicinity of atomic terraces on stepped or vicinal surfaces. Here, we develop a computational model that refines important details of diffusion behavior of adatoms accounting for the energy barriers at specific atomic sites (smooth domains, terraces, and steps) located on the crystal surface. The dynamic competition between energy gained by mixing and substrate strain energy results in diffusion scenario where adatoms form alloyed islands and alloyed stripes in the vicinity of terrace edges. Being in agreement with recent experimental findings, the observed effect of stripe and island alloy formation opens up a way regular surface patterns to be configured at different atomic levels on the crystal surface. The complete surface alloying of the entire interface layer is also briefly discussed with critical analysis and classification of experimental findings and simulation data.

An efficient fully-implicit multislope MUSCL method for multiphase flow with gravity in discrete fractured media

NASA Astrophysics Data System (ADS)

Jiang, Jiamin; Younis, Rami M.

2017-06-01

The first-order methods commonly employed in reservoir simulation for computing the convective fluxes introduce excessive numerical diffusion leading to severe smoothing of displacement fronts. We present a fully-implicit cell-centered finite-volume (CCFV) framework that can achieve second-order spatial accuracy on smooth solutions, while at the same time maintain robustness and nonlinear convergence performance. A novel multislope MUSCL method is proposed to construct the required values at edge centroids in a straightforward and effective way by taking advantage of the triangular mesh geometry. In contrast to the monoslope methods in which a unique limited gradient is used, the multislope concept constructs specific scalar slopes for the interpolations on each edge of a given element. Through the edge centroids, the numerical diffusion caused by mesh skewness is reduced, and optimal second order accuracy can be achieved. Moreover, an improved smooth flux-limiter is introduced to ensure monotonicity on non-uniform meshes. The flux-limiter provides high accuracy without degrading nonlinear convergence performance. The CCFV framework is adapted to accommodate a lower-dimensional discrete fracture-matrix (DFM) model. Several numerical tests with discrete fractured system are carried out to demonstrate the efficiency and robustness of the numerical model.

Edge-Preserving Image Smoothing Constraint in Multivariate Curve Resolution-Alternating Least Squares (MCR-ALS) of Hyperspectral Data.

PubMed

Hugelier, Siewert; Vitale, Raffaele; Ruckebusch, Cyril

2018-03-01

This article explores smoothing with edge-preserving properties as a spatial constraint for the resolution of hyperspectral images with multivariate curve resolution-alternating least squares (MCR-ALS). For each constrained component image (distribution map), irrelevant spatial details and noise are smoothed applying an L 1 - or L 0 -norm penalized least squares regression, highlighting in this way big changes in intensity of adjacent pixels. The feasibility of the constraint is demonstrated on three different case studies, in which the objects under investigation are spatially clearly defined, but have significant spectral overlap. This spectral overlap is detrimental for obtaining a good resolution and additional spatial information should be provided. The final results show that the spatial constraint enables better image (map) abstraction, artifact removal, and better interpretation of the results obtained, compared to a classical MCR-ALS analysis of hyperspectral images.

Microcutting characteristics on the single crystal diamond tool with edge radius using molecular dynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Jeong-Du; Moon, Chan-Hong

1995-12-31

Ultraprecision metal cutting (UPMC) technology which makes possible submicrometer form accuracy and manometer roughness is developed to reach the 1nm nominal (undeformed) thickness of cut. At this thickness level, a few of atom`s layers should be considered. In this paper using the Molecuar Dynamics simulation, the phenomena of microcutting with a subnanometer chip thickness, the cutting mechanism for tool edge configuration to consider the sharp edge and round edge tool, the cut material and cutting speed are evaluated. Cutting mechanism of subnanometer depth of cut is evaluated.

Spanwise visualization of the flow around a three-dimensional foil with leading edge protuberances

NASA Astrophysics Data System (ADS)

Stanway, M. J.; Techet, A. H.

2006-11-01

Studies of model humpback whale fins have shown that leading edge protuberances, or tubercles, can lead to delayed stall and increased lift at higher angles of attack, compared to foils with geometrically smooth leading edges. Such enhanced performance characteristics could prove highly useful in underwater vehicles such as gliders or long range AUVs (autonomous underwater vehicles). In this work, Particle Imaging Velocimetry (PIV) is performed on two static wings in a water tunnel over a range of angles of attack. These three- dimensional, finite-aspect ratio wings are modeled after a humpback whale flipper and are identical in shape, tapered from root to tip, except for the leading edge. In one of the foils the leading edge is smooth, whereas in the other, regularly spaced leading edge bumps are machined to simulate the whale’s fin tubercles. Results from these PIV tests reveal distinct cells where coherent flow structures are destroyed as a result of the leading edge perturbations. Tests are performed at Reynolds numbers Re ˜ O(10^5), based on chordlength, in a recirculating water tunnel. An inline six-axis load cell is mounted to measure the forces on the foil over a range of static pitch angles. It is hypothesized that this spanwise breakup of coherent vortical structures is responsible for the delayed angle of stall. These quantitative experiments complement exiting qualitative studies with two dimensional foils.

Vacuum ultraviolet radiation/atomic oxygen synergism in fluorinated ethylene propylene Teflon erosion

NASA Technical Reports Server (NTRS)

Stiegman, A. E.; Brinza, David E.; Laue, Eric G.; Anderson, Mark S.; Liang, Ranty H.

1992-01-01

A micrographic investigation is reported of samples of the fluorinated ethylene propylene (FEP) Teflon thermal-blanketing materials recovered from the Long-Duration Exposure Facility (LDEF) satellite. The samples are taken from the trailing edge and row 8 which correspond to exposures to vacuum UV (VUV) and VUV + atomic O, respectively. Data are taken from SEM and IR-spectra observations, and the LDEF leading-edge FEP shows a high degree of erosion, roughening, and sharp peaks angled in the direction of the flow of atomic O. The trailing edge sample influenced primarily by VUV shows a hard brittle layer and some cracked mosaic patterns. Comparisons to a reference sample suggest that the brittle layer is related to exposure to VUV and is removed by atomic-O impingement. Polymers that are stable to VUV radiation appear to be more stable in terms of atomic oxygen.

In-situ laser nano-patterning for ordered InAs/GaAs(001) quantum dot growth

NASA Astrophysics Data System (ADS)

Zhang, Wei; Shi, Zhenwu; Huo, Dayun; Guo, Xiaoxiang; Zhang, Feng; Chen, Linsen; Wang, Qinhua; Zhang, Baoshun; Peng, Changsi

2018-04-01

A study of in-situ laser interference nano-patterning on InGaAs wetting layers was carried out during InAs/GaAs (001) quantum dot molecular beam epitaxy growth. Periodic nano-islands with heights of a few atomic layers were obtained via four-beam laser interference irradiation on the InGaAs wetting layer at an InAs coverage of 0.9 monolayer. The quantum dots nucleated preferentially at edges of nano-islands upon subsequent deposition of InAs on the patterned surface. When the nano-islands are sufficiently small, the patterned substrate could be spontaneously re-flattened and an ordered quantum dot array could be produced on the smooth surface. This letter discusses the mechanisms of nano-patterning and ordered quantum dot nucleation in detail. This study provides a potential technique leading to site-controlled, high-quality quantum dot fabrication.

Characterization of local atomic structure in Co/Zn based ZIFs by XAFS

NASA Astrophysics Data System (ADS)

Podkovyrina, Yulia; Butova, Vera; Bulanova, Elena; Budnyk, Andriy; Kremennaya, Maria; Soldatov, Alexander; Lamberti, Carlo

2018-03-01

The local atomic structure in bimetallic Co/Zn zeolitic imidazolate frameworks (ZIFs) was studied using X-ray Absorption Fine Structure (XAFS) spectroscopy and theoretical calculations. The experimental Co K-edge and Zn K-edge XANES (X-ray Absorption Near Edge Structure) spectra of Zn1-xCoxC8H10N4 samples (x = 0.05, 0.25, 0.75) synthesized by microwave synthesis were compared with the data for the ZIF-67 (x=1) and ZIF-8 (x=0). Theoretical XANES spectra for the bimetallic ZIFs were calculated. It was shown that in bimetallic ZIFs the Co and Zn atoms have the similar local environment.

A Novel Gradient Vector Flow Snake Model Based on Convex Function for Infrared Image Segmentation

PubMed Central

Zhang, Rui; Zhu, Shiping; Zhou, Qin

2016-01-01

Infrared image segmentation is a challenging topic because infrared images are characterized by high noise, low contrast, and weak edges. Active contour models, especially gradient vector flow, have several advantages in terms of infrared image segmentation. However, the GVF (Gradient Vector Flow) model also has some drawbacks including a dilemma between noise smoothing and weak edge protection, which decrease the effect of infrared image segmentation significantly. In order to solve this problem, we propose a novel generalized gradient vector flow snakes model combining GGVF (Generic Gradient Vector Flow) and NBGVF (Normally Biased Gradient Vector Flow) models. We also adopt a new type of coefficients setting in the form of convex function to improve the ability of protecting weak edges while smoothing noises. Experimental results and comparisons against other methods indicate that our proposed snakes model owns better ability in terms of infrared image segmentation than other snakes models. PMID:27775660

Plasmonic eigenmodes in individual and bow-tie graphene nanotriangles

NASA Astrophysics Data System (ADS)

Wang, Weihua; Christensen, Thomas; Jauho, Antti-Pekka; Thygesen, Kristian S.; Wubs, Martijn; Mortensen, N. Asger

2015-04-01

In classical electrodynamics, nanostructured graphene is commonly modeled by the computationally demanding problem of a three-dimensional conducting film of atomic-scale thickness. Here, we propose an efficient alternative two-dimensional electrostatic approach where all calculation procedures are restricted to the graphene sheet. Furthermore, to explore possible quantum effects, we perform tight-binding calculations, adopting a random-phase approximation. We investigate multiple plasmon modes in 20 nm equilateral triangles of graphene, treating the optical response classically as well as quantum mechanically. Compared to the classical plasmonic spectrum which is ``blind'' to the edge termination, we find that the quantum plasmon frequencies exhibit blueshifts in the case of armchair edge termination of the underlying atomic lattice, while redshifts are found for zigzag edges. Furthermore, we find spectral features in the zigzag case which are associated with electronic edge states not present for armchair termination. Merging pairs of triangles into dimers, plasmon hybridization leads to energy splitting that appears strongest in classical calculations while splitting is lower for armchair edges and even more reduced for zigzag edges. Our various results illustrate a surprising phenomenon: Even 20 nm large graphene structures clearly exhibit quantum plasmonic features due to atomic-scale details in the edge termination.

Electronic structure study of Ce1-xAxO2 (A = Zr & Hf) nanoparticles: NEXAFS and EXAFS investigations.

PubMed

Sharma, Aditya; Varshney, Mayora; Shin, Hyun-Joon; Park, Yong Jun; Kim, Min-Gyu; Ha, Tae-Kyun; Chae, Keun Hwa; Gautam, Sanjeev

2014-10-07

Single phase nanoparticles (NPs) of CeO2, Ce0.5Zr0.5O2, Ce0.5Hf0.5O2 and Ce0.5Hf0.25Zr0.25O2 were successfully synthesized by co-precipitation method at constant pH and temperature. The X-ray diffraction results revealed that the additive atoms did not segregate to form secondary phases but led to grain size variation in the NPs. The 10 Dq values in the near edge X-ray absorption fine structure (NEXAFS) spectra at the O K-edge did not vary in the same way as the average grain size was changed for the doped CeO2 NPs. The deconvolution of Ce M5-edge and detailed analysis of O K pre-edge peak have shown the higher Ce(+3)/(Ce(+3) + Ce(+4)) ratio in the Zr- and Hf-doped samples. The local atomic structure around the Ce, Zr and Hf atoms was investigated using extended X-ray absorption fine structure (EXAFS) spectroscopy at Ce K-edge, Zr K-edge and Hf L3-edge, respectively, and the EXAFS data were fitted with the theoretical calculations. The 4f occupancy, Ce(+3)/(Ce(+3) + Ce(+4)) ratio of Ce ions, coordination number of Ce and Ce-Ce/Ce-O bond distances were sensitive to the additive atoms but not explicitly changed according to the grain size variation in the NPs.

Effectiveness of Modal Decomposition for Tapping Atomic Force Microscopy Microcantilevers in Liquid Environment.

PubMed

Kim, Il Kwang; Lee, Soo Il

2016-05-01

The modal decomposition of tapping mode atomic force microscopy microcantilevers in liquid environments was studied experimentally. Microcantilevers with different lengths and stiffnesses and two sample surfaces with different elastic moduli were used in the experiment. The response modes of the microcantilevers were extracted as proper orthogonal modes through proper orthogonal decomposition. Smooth orthogonal decomposition was used to estimate the resonance frequency directly. The effects of the tapping setpoint and the elastic modulus of the sample under test were examined in terms of their multi-mode responses with proper orthogonal modes, proper orthogonal values, smooth orthogonal modes and smooth orthogonal values. Regardless of the stiffness of the microcantilever under test, the first mode was dominant in tapping mode atomic force microscopy under normal operating conditions. However, at lower tapping setpoints, the flexible microcantilever showed modal distortion and noise near the tip when tapping on a hard sample. The stiff microcantilever had a higher mode effect on a soft sample at lower tapping setpoints. Modal decomposition for tapping mode atomic force microscopy can thus be used to estimate the characteristics of samples in liquid environments.

Singularities of the quad curl problem

NASA Astrophysics Data System (ADS)

Nicaise, Serge

2018-04-01

We consider the quad curl problem in smooth and non smooth domains of the space. We first give an augmented variational formulation equivalent to the one from [25] if the datum is divergence free. We describe the singularities of the variational space which correspond to the ones of the Maxwell system with perfectly conducting boundary conditions. The edge and corner singularities of the solution of the corresponding boundary value problem with smooth data are also characterized. We finally obtain some regularity results of the variational solution.

Assembly, growth, and catalytic activity of gold nanoparticles in hollow carbon nanofibers.

PubMed

La Torre, Alessandro; Giménez-López, Maria del Carmen; Fay, Michael W; Rance, Graham A; Solomonsz, William A; Chamberlain, Thomas W; Brown, Paul D; Khlobystov, Andrei N

2012-03-27

Graphitized carbon nanofibers (GNFs) act as efficient templates for the growth of gold nanoparticles (AuNPs) adsorbed on the interior (and exterior) of the tubular nanostructures. Encapsulated AuNPs are stabilized by interactions with the step-edges of the individual graphitic nanocones, of which GNFs are composed, and their size is limited to approximately 6 nm, while AuNPs adsorbed on the atomically flat graphitic surfaces of the GNF exterior continue their growth to 13 nm and beyond under the same heat treatment conditions. The corrugated structure of the GNF interior imposes a significant barrier for the migration of AuNPs, so that their growth mechanism is restricted to Ostwald ripening. Conversely, nanoparticles adsorbed on smooth GNF exterior surfaces are more likely to migrate and coalesce into larger nanoparticles, as revealed by in situ transmission electron microscopy imaging. The presence of alkyl thiol surfactant within the GNF channels changes the dynamics of the AuNP transformations, as surfactant molecules adsorbed on the surface of the AuNPs diminished the stabilization effect of the step-edges, thus allowing nanoparticles to grow until their diameters reach the internal diameter of the host nanofiber. Nanoparticles thermally evolved within the GNF channel exhibit alignment, perpendicular to the GNF axis due to interactions with the step-edges and parallel to the axis because of graphitic facets of the nanocones. Despite their small size, AuNPs in GNF possess high stability and remain unchanged at temperatures up to 300 °C in ambient atmosphere. Nanoparticles immobilized at the step-edges within GNF are shown to act as effective catalysts promoting the transformation of dimethylphenylsilane to bis(dimethylphenyl)disiloxane with a greater than 10-fold enhancement of selectivity as compared to free-standing or surface-adsorbed nanoparticles. © 2012 American Chemical Society

On the physics of the pressure and temperature gradients in the edge of tokamak plasmas

NASA Astrophysics Data System (ADS)

Stacey, Weston M.

2018-04-01

An extended plasma fluid theory including atomic physics, radiation, electromagnetic and themodynamic forces, external sources of particles, momentum and energy, and kinetic ion orbit loss is employed to derive theoretical expressions that display the role of the various factors involved in the determination of the pressure and temperature gradients in the edge of tokamak plasmas. Calculations for current experiments are presented to illustrate the magnitudes of various effects including strong radiative and atomic physics edge cooling effects and strong reduction in ion particle and energy fluxes due to ion orbit loss in the plasma edge. An important new insight is the strong relation between rotation and the edge pressure gradient.

Atomic and electronic properties of quasi-one-dimensional MOS2 nanowires

PubMed Central

Seivane, Lucas Fernandez; Barron, Hector; Botti, Silvana; Marques, Miguel Alexandre Lopes; Rubio, Ángel; López-Lozano, Xóchitl

2013-01-01

The structural, electronic and magnetic properties of quasi-one-dimensional MoS2 nanowires, passivated by extra sulfur, have been determined using ab initio density-functional theory. The nanostructures were simulated using several different models based on experimental electron microscopy images. It is found that independently of the geometrical details and the coverage of extra sulfur at the Mo-edge, quasi-one-dimensional metallic states are predominant in all the low-energy model structures despite their reduced dimensionality. These metallic states are localized mainly at the edges. However, the electronic and magnetic character of the NWs does not depend only on the S saturation but also on the symmetry configuration of the S edge atoms. Our results show that for the same S saturation the magnetization can be decreased by increasing the pairing of the S and Mo edge atoms. In spite of the observed pairing of S dimers at the Mo-edge, the nanowires do not experience a Peierls-like metal-insulator transition PMID:25429189

Effect of aluminum on the local structure of silicon in zeolites as studied by Si K edge X-ray absorption near-edge fine structure: spectra simulation with a non-muffin tin atomic background.

PubMed

Bugaev, Lusegen A; Bokhoven, Jeroen A van; Khrapko, Valerii V

2009-04-09

Experimental Si K edge X-ray absorption near-edge fine structure (XANES) of zeolite faujasite, mordenite, and beta are interpreted by means of the FEFF8 code, replacing the theoretical atomic background mu(0) by a background that was extracted from an experimental spectrum. To some extent, this diminished the effect of the inaccuracy introduced by the MT potential and accounted for the intrinsic loss of photoelectrons. The agreement of the theoretical and experimental spectra at energies above the white lines enabled us to identify structural distortion around silicon, which occurs with increasing aluminum content. The Si K edge XANES spectra are very sensitive to slight distortions in the silicon coordination. Placing an aluminum atom on a nearest neighboring T site causes a distortion in the silicon tetrahedron, shortening one of the silicon-oxygen bonds relative to the other three.

Axial segmentation of lungs CT scan images using canny method and morphological operation

NASA Astrophysics Data System (ADS)

Noviana, Rina; Febriani, Rasal, Isram; Lubis, Eva Utari Cintamurni

2017-08-01

Segmentation is a very important topic in digital image process. It is found simply in varied fields of image analysis, particularly within the medical imaging field. Axial segmentation of lungs CT scan is beneficial in designation of abnormalities and surgery planning. It will do to ascertain every section within the lungs. The results of the segmentation are accustomed discover the presence of nodules. The method which utilized in this analysis are image cropping, image binarization, Canny edge detection and morphological operation. Image cropping is done so as to separate the lungs areas, that is the region of interest. Binarization method generates a binary image that has 2 values with grey level, that is black and white (ROI), from another space of lungs CT scan image. Canny method used for the edge detection. Morphological operation is applied to smoothing the lungs edge. The segmentation methodology shows an honest result. It obtains an awfully smooth edge. Moreover, the image background can also be removed in order to get the main focus, the lungs.

The asymptotics of large constrained graphs

NASA Astrophysics Data System (ADS)

Radin, Charles; Ren, Kui; Sadun, Lorenzo

2014-05-01

We show, through local estimates and simulation, that if one constrains simple graphs by their densities ɛ of edges and τ of triangles, then asymptotically (in the number of vertices) for over 95% of the possible range of those densities there is a well-defined typical graph, and it has a very simple structure: the vertices are decomposed into two subsets V1 and V2 of fixed relative size c and 1 - c, and there are well-defined probabilities of edges, gjk, between vj ∈ Vj, and vk ∈ Vk. Furthermore the four parameters c, g11, g22 and g12 are smooth functions of (ɛ, τ) except at two smooth ‘phase transition’ curves.

Identification of F impurities in F-doped ZnO by synchrotron X-ray absorption near edge structures

NASA Astrophysics Data System (ADS)

Na-Phattalung, Sutassana; Limpijumnong, Sukit; Min, Chul-Hee; Cho, Deok-Yong; Lee, Seung-Ran; Char, Kookrin; Yu, Jaejun

2018-04-01

Synchrotron X-ray absorption near edge structure (XANES) measurements of F K-edge in conjunction with first-principles calculations are used to identify the local structure of the fluorine (F) atom in F-doped ZnO. The ZnO film was grown by pulsed laser deposition with an Nd:YAG laser, and an oxyfluoridation method was used to introduce F ions into the ZnO films. The measured XANES spectrum of the sample was compared against the first-principles XANES calculations based on various models for local atomic structures surrounding F atoms. The observed spectral features are attributed to ZnF2 and FO defects in wurtzite bulk ZnO.

Formation of atomically smooth epitaxial metal films on a chemically reactive interface: Mg on Si(111)

NASA Astrophysics Data System (ADS)

Özer, Mustafa M.; Weitering, Hanno H.

2013-07-01

Deposition of Mg on Si(111)7 × 7 produces an epitaxial magnesium silicide layer. Under identical annealing conditions, the thickness of this Mg2Si(111) layer increases with deposition amount, reaching a maximum of 4 monolayer (ML) and decreasing to ˜3 ML at higher Mg coverage. Excess Mg coalesces into atomically flat, crystalline Mg(0001) films. This surprising growth mode can be attributed to the accidental commensurability of the Mg(0001), Si(111), and Mg2Si(111) interlayer spacing and the concurrent minimization of in-plane Si mass transfer and domain-wall energies. The commensurability of the interlayer spacing defines a highly unique solid-phase epitaxial growth process capable of producing trilayer structures with atomically abrupt interfaces and atomically smooth surface morphologies.

Detecting Multi-scale Structures in Chandra Images of Centaurus A

NASA Astrophysics Data System (ADS)

Karovska, M.; Fabbiano, G.; Elvis, M. S.; Evans, I. N.; Kim, D. W.; Prestwich, A. H.; Schwartz, D. A.; Murray, S. S.; Forman, W.; Jones, C.; Kraft, R. P.; Isobe, T.; Cui, W.; Schreier, E. J.

1999-12-01

Centaurus A (NGC 5128) is a giant early-type galaxy with a merger history, containing the nearest radio-bright AGN. Recent Chandra High Resolution Camera (HRC) observations of Cen A reveal X-ray multi-scale structures in this object with unprecedented detail and clarity. We show the results of an analysis of the Chandra data with smoothing and edge enhancement techniques that allow us to enhance and quantify the multi-scale structures present in the HRC images. These techniques include an adaptive smoothing algorithm (Ebeling et al 1999), and a multi-directional gradient detection algorithm (Karovska et al 1994). The Ebeling et al adaptive smoothing algorithm, which is incorporated in the CXC analysis s/w package, is a powerful tool for smoothing images containing complex structures at various spatial scales. The adaptively smoothed images of Centaurus A show simultaneously the high-angular resolution bright structures at scales as small as an arcsecond and the extended faint structures as large as several arc minutes. The large scale structures suggest complex symmetry, including a component possibly associated with the inner radio lobes (as suggested by the ROSAT HRI data, Dobereiner et al 1996), and a separate component with an orthogonal symmetry that may be associated with the galaxy as a whole. The dust lane and the x-ray ridges are very clearly visible. The adaptively smoothed images and the edge-enhanced images also suggest several filamentary features including a large filament-like structure extending as far as about 5 arcminutes to North-West.

Internal and external atomic steps in graphite exhibit dramatically different physical and chemical properties.

PubMed

Lee, Hyunsoo; Lee, Han-Bo-Ram; Kwon, Sangku; Salmeron, Miquel; Park, Jeong Young

2015-04-28

We report on the physical and chemical properties of atomic steps on the surface of highly oriented pyrolytic graphite (HOPG) investigated using atomic force microscopy. Two types of step edges are identified: internal (formed during crystal growth) and external (formed by mechanical cleavage of bulk HOPG). The external steps exhibit higher friction than the internal steps due to the broken bonds of the exposed edge C atoms, while carbon atoms in the internal steps are not exposed. The reactivity of the atomic steps is manifested in a variety of ways, including the preferential attachment of Pt nanoparticles deposited on HOPG when using atomic layer deposition and KOH clusters formed during drop casting from aqueous solutions. These phenomena imply that only external atomic steps can be used for selective electrodeposition for nanoscale electronic devices.

Dynamic Tunneling Junctions at the Atomic Intersection of Two Twisted Graphene Edges.

PubMed

Bellunato, Amedeo; Vrbica, Sasha D; Sabater, Carlos; de Vos, Erik W; Fermin, Remko; Kanneworff, Kirsten N; Galli, Federica; van Ruitenbeek, Jan M; Schneider, Grégory F

2018-04-11

The investigation of the transport properties of single molecules by flowing tunneling currents across extremely narrow gaps is relevant for challenges as diverse as the development of molecular electronics and sequencing of DNA. The achievement of well-defined electrode architectures remains a technical challenge, especially due to the necessity of high precision fabrication processes and the chemical instability of most bulk metals. Here, we illustrate a continuously adjustable tunneling junction between the edges of two twisted graphene sheets. The unique property of the graphene electrodes is that the sheets are rigidly supported all the way to the atomic edge. By analyzing the tunneling current characteristics, we also demonstrate that the spacing across the gap junction can be controllably adjusted. Finally, we demonstrate the transition from the tunneling regime to contact and the formation of an atomic-sized junction between the two edges of graphene.

Temperature and radiation effects at the fluorine K-edge in LiF

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schwartz, Craig P.; Ponce, Francisco; Friedrich, Stephan

Here, the fluorine K-edge of LiF is studied both experimentally and theoretically as a function of temperature. Instantaneous thermal fluctuations in atomic positions are shown in molecular dynamics simulations to increase in amplitude from 0.029 to 0.064 nm in the temperature range from 40 to 298 K. This is sufficient to cause instantaneous deviations from local octahedral atomic symmetry in this rock-salt crystal, resulting in altered electronic structure. The lowered symmetry of the lowest core-excited states of fluorine atoms is evident in X-ray absorption spectra at the F K-edge. In addition, sufficient radiation exposure produces a new X-ray absorption peak,more » below the F K-edge of LiF, which is assigned to defects in LiF based on both calculations and comparison to previous experiments.« less

Temperature and radiation effects at the fluorine K-edge in LiF

DOE PAGES

Schwartz, Craig P.; Ponce, Francisco; Friedrich, Stephan; ...

2017-05-30

Here, the fluorine K-edge of LiF is studied both experimentally and theoretically as a function of temperature. Instantaneous thermal fluctuations in atomic positions are shown in molecular dynamics simulations to increase in amplitude from 0.029 to 0.064 nm in the temperature range from 40 to 298 K. This is sufficient to cause instantaneous deviations from local octahedral atomic symmetry in this rock-salt crystal, resulting in altered electronic structure. The lowered symmetry of the lowest core-excited states of fluorine atoms is evident in X-ray absorption spectra at the F K-edge. In addition, sufficient radiation exposure produces a new X-ray absorption peak,more » below the F K-edge of LiF, which is assigned to defects in LiF based on both calculations and comparison to previous experiments.« less

Atomically precise edge chlorination of nanographenes and its application in graphene nanoribbons

PubMed Central

Tan, Yuan-Zhi; Yang, Bo; Parvez, Khaled; Narita, Akimitsu; Osella, Silvio; Beljonne, David; Feng, Xinliang; Müllen, Klaus

2013-01-01

Chemical functionalization is one of the most powerful and widely used strategies to control the properties of nanomaterials, particularly in the field of graphene. However, the ill-defined structure of the present functionalized graphene inhibits atomically precise structural characterization and structure-correlated property modulation. Here we present a general edge chlorination protocol for atomically precise functionalization of nanographenes at different scales from 1.2 to 3.4 nm and its application in graphene nanoribbons. The well-defined edge chlorination is unambiguously confirmed by X-ray single-crystal analysis, which also discloses the characteristic non-planar molecular shape and detailed bond lengths of chlorinated nanographenes. Chlorinated nanographenes and graphene nanoribbons manifest enhanced solution processability associated with decreases in the optical band gap and frontier molecular orbital energy levels, exemplifying the structure-correlated property modulation by precise edge chlorination. PMID:24212200

Dynamic Tunneling Junctions at the Atomic Intersection of Two Twisted Graphene Edges

PubMed Central

2018-01-01

The investigation of the transport properties of single molecules by flowing tunneling currents across extremely narrow gaps is relevant for challenges as diverse as the development of molecular electronics and sequencing of DNA. The achievement of well-defined electrode architectures remains a technical challenge, especially due to the necessity of high precision fabrication processes and the chemical instability of most bulk metals. Here, we illustrate a continuously adjustable tunneling junction between the edges of two twisted graphene sheets. The unique property of the graphene electrodes is that the sheets are rigidly supported all the way to the atomic edge. By analyzing the tunneling current characteristics, we also demonstrate that the spacing across the gap junction can be controllably adjusted. Finally, we demonstrate the transition from the tunneling regime to contact and the formation of an atomic-sized junction between the two edges of graphene. PMID:29513997

Sulfur K-edge extended X-ray absorption fine structure spectroscopy of homoleptic thiolato complexes with Zn(II) and Cd(II).

PubMed

Matsunaga, Yuki; Fujisawa, Kiyoshi; Ibi, Naoko; Fujita, Mitsuharu; Ohashi, Tetuya; Amir, Nagina; Miyashita, Yoshitaro; Aika, Ken-Ichi; Izumi, Yasuo; Okamoto, Ken-Ichi

2006-02-01

The sulfur K-edge extended X-ray absorption fine structure (EXAFS) spectroscopy is applied to homoleptic thiolato complexes with Zn(II) and Cd(II), (Et(4)N)[Zn(SAd)(3)] (1), (Et(4)N)(2)[{Zn(ScHex)(2)}(2)(mu-ScHex)(2)] (2), (Et(4)N)(2)[{Cd(ScHex)(2)}(2)(mu-ScHex)(2)] (3), (Et(4)N)(2)[{Cd(ScHex)}(4)(mu-ScHex)(6)] (4), [Zn(mu-SAd)(2)](n) (5), and [Cd(mu-SAd)(2)](n) (6) (HSAd=1-adamantanethiol, HScHex=cyclohexanethiol). The EXAFS results are consistent with the X-ray crystal data of 1-4. The structures of 5 and 6, which have not been determined by X-ray crystallography, are proposed to be polynuclear structures on the basis of the sulfur K-edge EXAFS, far-IR spectra, and elemental analysis. Clear evidences of the S...S interactions (between bridging atoms or neighboring sulfur atoms) and the S...C(far) interactions (in which C(far) atom is next to carbon atom directly bonded to sulfur atom) were observed in the EXAFS data for all complexes and thus lead to the reliable determination of the structures of 5 and 6 in combination with conventional zinc K-edge EXAFS analysis for 5. This new methodology, sulfur K-edge EXAFS, could be applied for the structural determination of in vivo metalloproteins as well as inorganic compounds.

Apparatus for cutting elastomeric materials

NASA Technical Reports Server (NTRS)

Corbett, A. B.

1974-01-01

Sharp thin cutting edge is held in head of milling machine designed for metal working. Controls of machine are used to position cutting edge in same plane as vibrating specimen. Controls then are operated, making blade come into contact with specimen, to cut it into shapes and sizes desired. Cut surfaces appear mirror-smooth; vibrating mechanism causes no visible striations.

Late movement of basin-edge lobate scarps on Mercury

NASA Astrophysics Data System (ADS)

Fegan, E. R.; Rothery, D. A.; Marchi, S.; Massironi, M.; Conway, S. J.; Anand, M.

2017-05-01

Basin-edge lobate scarps are a sub-type of tectonic shortening structure on the surface of Mercury that have formed at the edge of volcanic units that fill or partly fill impact basins. We have performed a global survey of these features and find that they are widespread in basins across the planet. We obtained model ages from crater size-frequency distribution analysis for a subset of our surveyed basins, for both the smooth plains infill and for the last resolvable tectonic activity on the associated basin-edge scarps. Our results indicate that some of these lobate scarps were still accumulating strain in the late Mansurian (approximately 1 Ga). From a photogeological assessment, we find that the orientations of these basin-edge lobate scarps are similar to those reported for the global population of lobate scarps in earlier studies, appearing to align ∼north-south at low latitudes and ∼east-west at higher latitudes. However, reassessing these landforms' orientation with artificially illuminated topographic data does not allow us to rule out the effect of illumination bias. We propose that these landforms, the result of crustal shortening in response to global contraction, formed along the interface between the basin floor and the smooth plains unit, which acted as a mechanical discontinuity along which shortening strains were concentrated.

The SKED: speckle knife edge detector

NASA Astrophysics Data System (ADS)

Sharpies, S. D.; Light, R. A.; Achamfuo-Yeboah, S. O.; Clark, M.; Somekh, M. G.

2014-06-01

The knife edge detector—also known as optical beam deflection—is a simple and robust method of detecting ultrasonic waves using a laser. It is particularly suitable for detection of high frequency surface acoustic waves as the response is proportional to variation of the local tilt of the surface. In the case of a specular reflection of the incident laser beam from a smooth surface, any lateral movement of the reflected beam caused by the ultrasonic waves is easily detected by a pair of photodiodes. The major disadvantage of the knife edge detector is that it does not cope well with optically rough surfaces, those that give a speckled reflection. The optical speckles from a rough surface adversely affect the efficiency of the knife edge detector, because 'dark' speckles move synchronously with 'bright' speckles, and their contributions to the ultrasonic signal cancel each other out. We have developed a new self-adapting sensor which can cope with the optical speckles reflected from a rough surface. It is inelegantly called the SKED—speckle knife edge detector—and like its smooth surface namesake it is simple, cheap, compact, and robust. We describe the theory of its operation, and present preliminary experimental results validating the overall concept and the operation of the prototype device.

An Interactive Procedure to Preserve the Desired Edges during the Image Processing of Noise Reduction

NASA Astrophysics Data System (ADS)

Hsu, Chih-Yu; Huang, Hsuan-Yu; Lee, Lin-Tsang

2010-12-01

The paper propose a new procedure including four stages in order to preserve the desired edges during the image processing of noise reduction. A denoised image can be obtained from a noisy image at the first stage of the procedure. At the second stage, an edge map can be obtained by the Canny edge detector to find the edges of the object contours. Manual modification of an edge map at the third stage is optional to capture all the desired edges of the object contours. At the final stage, a new method called Edge Preserved Inhomogeneous Diffusion Equation (EPIDE) is used to smooth the noisy images or the previously denoised image at the first stage for achieving the edge preservation. The Optical Character Recognition (OCR) results in the experiments show that the proposed procedure has the best recognition result because of the capability of edge preservation.

Density functional theory study the effects of oxygen-containing functional groups on oxygen molecules and oxygen atoms adsorbed on carbonaceous materials.

PubMed

Qi, Xuejun; Song, Wenwu; Shi, Jianwei

2017-01-01

Density functional theory was used to study the effects of different types of oxygen-containing functional groups on the adsorption of oxygen molecules and single active oxygen atoms on carbonaceous materials. During gasification or combustion reactions of carbonaceous materials, oxygen-containing functional groups such as hydroxyl(-OH), carbonyl(-CO), quinone(-O), and carboxyl(-COOH) are often present on the edge of graphite and can affect graphite's chemical properties. When oxygen-containing functional groups appear on a graphite surface, the oxygen molecules are strongly adsorbed onto the surface to form a four-member ring structure. At the same time, the O-O bond is greatly weakened and easily broken. The adsorption energy value indicates that the adsorption of oxygen molecules changes from physisorption to chemisorption for oxygen-containing functional groups on the edge of a graphite surface. In addition, our results indicate that the adsorption energy depends on the type of oxygen-containing functional group. When a single active oxygen atom is adsorbed on the bridge site of graphite, it gives rise to a stable epoxy structure. Epoxy can cause deformation of the graphite lattice due to the transition of graphite from sp2 to sp3 after the addition of an oxygen atom. For quinone group on the edge of graphite, oxygen atoms react with carbon atoms to form the precursor of CO2. Similarly, the single active oxygen atoms of carbonyl groups can interact with edge carbon atoms to form the precursor of CO2. The results show that oxygen-containing functional groups on graphite surfaces enhance the activity of graphite, which promotes adsorption on the graphite surface.

Density functional theory study the effects of oxygen-containing functional groups on oxygen molecules and oxygen atoms adsorbed on carbonaceous materials

PubMed Central

Song, Wenwu; Shi, Jianwei

2017-01-01

Density functional theory was used to study the effects of different types of oxygen-containing functional groups on the adsorption of oxygen molecules and single active oxygen atoms on carbonaceous materials. During gasification or combustion reactions of carbonaceous materials, oxygen-containing functional groups such as hydroxyl(-OH), carbonyl(-CO), quinone(-O), and carboxyl(-COOH) are often present on the edge of graphite and can affect graphite’s chemical properties. When oxygen-containing functional groups appear on a graphite surface, the oxygen molecules are strongly adsorbed onto the surface to form a four-member ring structure. At the same time, the O-O bond is greatly weakened and easily broken. The adsorption energy value indicates that the adsorption of oxygen molecules changes from physisorption to chemisorption for oxygen-containing functional groups on the edge of a graphite surface. In addition, our results indicate that the adsorption energy depends on the type of oxygen-containing functional group. When a single active oxygen atom is adsorbed on the bridge site of graphite, it gives rise to a stable epoxy structure. Epoxy can cause deformation of the graphite lattice due to the transition of graphite from sp2 to sp3 after the addition of an oxygen atom. For quinone group on the edge of graphite, oxygen atoms react with carbon atoms to form the precursor of CO2. Similarly, the single active oxygen atoms of carbonyl groups can interact with edge carbon atoms to form the precursor of CO2. The results show that oxygen-containing functional groups on graphite surfaces enhance the activity of graphite, which promotes adsorption on the graphite surface. PMID:28301544

Time-dependent edge-notch sensitivity of oxide and gamma prime dispersion strengthened sheet materials at 1000 to 1800 F (538 - 982 C)

NASA Technical Reports Server (NTRS)

Wilson, D. J.

1972-01-01

Research was carried out to determine whether an oxide dispersion hardened alloy, TD-Ni, Cr, and low volume fraction gamma prime strengthened nickel-base alloy, Modified Waspaloy, were susceptible to time-dependent edge-notch sensitivity. The results were evaluated in terms of the mechanical characteristics of the alloys and the dislocation motion mechanisms operative. As far as could be determined, the results of the investigation were consistent with the following important concepts developed for Waspaloy and Inconel 718: (1) Time-dependent edge-notch sensitivity occurs when notched specimens are loaded below the approximate 0.2 percent smooth specimen offset yield strength and when data from smooth specimens indicate that small amounts of creep consume large rupture life fractions. (2) When precipitate particles are sheared by dislocations, the deformation is localized and time-dependent notch sensitivity occurs. When dislocations by-pass precipitate particles the deformation is homogeneous. Under these conditions, no time-dependent notch sensitivity has been observed.

Computer programs for smoothing and scaling airfoil coordinates

NASA Technical Reports Server (NTRS)

Morgan, H. L., Jr.

1983-01-01

Detailed descriptions are given of the theoretical methods and associated computer codes of a program to smooth and a program to scale arbitrary airfoil coordinates. The smoothing program utilizes both least-squares polynomial and least-squares cubic spline techniques to smooth interatively the second derivatives of the y-axis airfoil coordinates with respect to a transformed x-axis system which unwraps the airfoil and stretches the nose and trailing-edge regions. The corresponding smooth airfoil coordinates are then determined by solving a tridiagonal matrix of simultaneous cubic-spline equations relating the y-axis coordinates and their corresponding second derivatives. A technique for computing the camber and thickness distribution of the smoothed airfoil is also discussed. The scaling program can then be used to scale the thickness distribution generated by the smoothing program to a specific maximum thickness which is then combined with the camber distribution to obtain the final scaled airfoil contour. Computer listings of the smoothing and scaling programs are included.

Fast Edge Detection and Segmentation of Terrestrial Laser Scans Through Normal Variation Analysis

NASA Astrophysics Data System (ADS)

Che, E.; Olsen, M. J.

2017-09-01

Terrestrial Laser Scanning (TLS) utilizes light detection and ranging (lidar) to effectively and efficiently acquire point cloud data for a wide variety of applications. Segmentation is a common procedure of post-processing to group the point cloud into a number of clusters to simplify the data for the sequential modelling and analysis needed for most applications. This paper presents a novel method to rapidly segment TLS data based on edge detection and region growing. First, by computing the projected incidence angles and performing the normal variation analysis, the silhouette edges and intersection edges are separated from the smooth surfaces. Then a modified region growing algorithm groups the points lying on the same smooth surface. The proposed method efficiently exploits the gridded scan pattern utilized during acquisition of TLS data from most sensors and takes advantage of parallel programming to process approximately 1 million points per second. Moreover, the proposed segmentation does not require estimation of the normal at each point, which limits the errors in normal estimation propagating to segmentation. Both an indoor and outdoor scene are used for an experiment to demonstrate and discuss the effectiveness and robustness of the proposed segmentation method.

Atomic resolution chemical bond analysis of oxygen in La2CuO4

NASA Astrophysics Data System (ADS)

Haruta, M.; Nagai, T.; Lugg, N. R.; Neish, M. J.; Nagao, M.; Kurashima, K.; Allen, L. J.; Mizoguchi, T.; Kimoto, K.

2013-08-01

The distorted CuO6 octahedron in La2CuO4 was studied using aberration-corrected scanning transmission electron microscopy at atomic resolution. The near-edge structure in the oxygen K-edge electron energy-loss spectrum was recorded as a function of the position of the electron probe. After background subtraction, the measured spectrum image was processed using a recently developed inversion process to remove the mixing of signals on the atomic columns due to elastic and thermal scattering. The spectra were then compared with first-principles band structure calculations based on the local-density approximation plus on-site Coulomb repulsion (LDA + U) approach. In this article, we describe in detail not only anisotropic chemical bonding of the oxygen 2p state with the Cu 3d state but also with the Cu 4p and La 5d/4f states. Furthermore, it was found that buckling of the CuO2 plane was also detectable at the atomic resolution oxygen K-edge. Lastly, it was found that the effects of core-hole in the O K-edge were strongly dependent on the nature of the local chemical bonding, in particular, whether it is ionic or covalent.

Quantized edge modes in atomic-scale point contacts in graphene

NASA Astrophysics Data System (ADS)

Kinikar, Amogh; Phanindra Sai, T.; Bhattacharyya, Semonti; Agarwala, Adhip; Biswas, Tathagata; Sarker, Sanjoy K.; Krishnamurthy, H. R.; Jain, Manish; Shenoy, Vijay B.; Ghosh, Arindam

2017-07-01

The zigzag edges of single- or few-layer graphene are perfect one-dimensional conductors owing to a set of gapless states that are topologically protected against backscattering. Direct experimental evidence of these states has been limited so far to their local thermodynamic and magnetic properties, determined by the competing effects of edge topology and electron-electron interaction. However, experimental signatures of edge-bound electrical conduction have remained elusive, primarily due to the lack of graphitic nanostructures with low structural and/or chemical edge disorder. Here, we report the experimental detection of edge-mode electrical transport in suspended atomic-scale constrictions of single and multilayer graphene created during nanomechanical exfoliation of highly oriented pyrolytic graphite. The edge-mode transport leads to the observed quantization of conductance close to multiples of G0 = 2e2/h. At the same time, conductance plateaux at G0/2 and a split zero-bias anomaly in non-equilibrium transport suggest conduction via spin-polarized states in the presence of an electron-electron interaction.

One dimensional metallic edges in atomically thin WSe2 induced by air exposure

NASA Astrophysics Data System (ADS)

Addou, Rafik; Smyth, Christopher M.; Noh, Ji-Young; Lin, Yu-Chuan; Pan, Yi; Eichfeld, Sarah M.; Fölsch, Stefan; Robinson, Joshua A.; Cho, Kyeongjae; Feenstra, Randall M.; Wallace, Robert M.

2018-04-01

Transition metal dichalcogenides are a unique class of layered two-dimensional (2D) crystals with extensive promising applications. Tuning the electronic properties of low-dimensional materials is vital for engineering new functionalities. Surface oxidation is of particular interest because it is a relatively simple method of functionalization. By means of scanning probe microscopy and x-ray photoelectron spectroscopy, we report the observation of metallic edges in atomically thin WSe2 monolayers grown by chemical vapor deposition on epitaxial graphene. Scanning tunneling microscopy shows structural details of WSe2 edges and scanning tunneling spectroscopy reveals the metallic nature of the oxidized edges. Photoemission demonstrates that the formation of metallic sub-stoichiometric tungsten oxide (WO2.7) is responsible for the high conductivity measured along the edges. Ab initio calculations validate the susceptibility of WSe2 nanoribbon edges to oxidation. The zigzag terminated edge exhibits metallic behavior prior the air-exposure and remains metallic after oxidation. Comprehending and exploiting this property opens a new opportunity for application in advanced electronic devices.

Quantized edge modes in atomic-scale point contacts in graphene.

PubMed

Kinikar, Amogh; Phanindra Sai, T; Bhattacharyya, Semonti; Agarwala, Adhip; Biswas, Tathagata; Sarker, Sanjoy K; Krishnamurthy, H R; Jain, Manish; Shenoy, Vijay B; Ghosh, Arindam

2017-07-01

The zigzag edges of single- or few-layer graphene are perfect one-dimensional conductors owing to a set of gapless states that are topologically protected against backscattering. Direct experimental evidence of these states has been limited so far to their local thermodynamic and magnetic properties, determined by the competing effects of edge topology and electron-electron interaction. However, experimental signatures of edge-bound electrical conduction have remained elusive, primarily due to the lack of graphitic nanostructures with low structural and/or chemical edge disorder. Here, we report the experimental detection of edge-mode electrical transport in suspended atomic-scale constrictions of single and multilayer graphene created during nanomechanical exfoliation of highly oriented pyrolytic graphite. The edge-mode transport leads to the observed quantization of conductance close to multiples of G 0  = 2e 2 /h. At the same time, conductance plateaux at G 0 /2 and a split zero-bias anomaly in non-equilibrium transport suggest conduction via spin-polarized states in the presence of an electron-electron interaction.

Electron Pair Repulsion Responsible for the Peculiar Edge Effects and Surface Chemistry of Black Phosphorus.

PubMed

Kong, Xiang-Peng; Shen, Xiaomei; Jang, Joonkyung; Gao, Xingfa

2018-03-01

The electronic and optical properties of black phosphorus (black-P) are significantly modulated by fabricating the edges of this two-dimensional material. Electron lone pairs (ELPs) are ubiquitous in black-P, but their role in creating the edge effects of black-P is poorly understood. Using first-principle calculations, we report ELPs of black-P experience severe Coulomb repulsion and play a central role in creating the edge effects of black-P. We discover the outermost P atoms of the zigzag edges of black-PQDs are free of the Coulomb repulsion, but the P atoms of the armchair edges do experience the Coulomb repulsion. The Coulomb repulsion serves as a new chemical driving force to make electron donor-acceptor bonds with chemical groups bearing vacant orbitals. Our results provide insights into the mechanism responsible for the peculiar edge effects of black-P and highlight the opportunity to use the ELPs of black-P for their damage-free surface functionalization.

Electron-intramolecular-vibration interactions in positively charged phenanthrene-edge-type hydrocarbons

NASA Astrophysics Data System (ADS)

Kato, Takashi; Yamabe, Tokio

2004-02-01

Electron-phonon interactions in positively charged phenanthrene-edge-type hydrocarbons such as phenanthrene, chrysene, and picene are studied. The C-C stretching modes around 1500 cm-1 and the low-frequency modes around 500 cm-1 strongly couple to the highest occupied molecular orbitals (HOMO) in phenanthrene-edge-type hydrocarbons. The total electron-phonon coupling constants for the monocations (lHOMO) of 0.251, 0.135, and 0.149 eV for phenanthrene, chrysene, and picene, respectively, are estimated to be larger than those of 0.130, 0.107, and 0.094 eV for anthracene, tetracene, and pentacene, respectively. The phase patterns difference between the HOMO localized on carbon atoms which are located at the molecular edge in acene-edge-type hydrocarbons and the delocalized HOMO in phenanthrene-edge-type hydrocarbons is the main reason for the result. Strengths of orbital interactions between two neighboring carbon atoms in the HOMO become weaker with an increase in molecular size because the electron density on each carbon atom in the HOMO becomes smaller with an increase in molecular size in phenanthrene-edge-type hydrocarbons. On the other hand, the frontier orbitals of acene-edge-type hydrocarbons have somewhat nonbonding characters and thus cannot strongly couple to the totally symmetric vibrational modes compared with the frontier orbitals of phenanthrene-edge-type hydrocarbons. This is the reason why the lHOMO value for phenanthrene-edge-type hydrocarbons decreases with an increase in molecular size more significantly than that for acene-edge-type hydrocarbons, and the reason why the lHOMO value for polyphenanthrene with C2v geometry (0.033 eV) is estimated to be similar to that for polyacene (0.036 eV). The reorganization energies between the neutral molecules and the corresponding monocations for phenanthrene-edge-type hydrocarbons with large molecular size are estimated to be larger than those for acene-edge-type hydrocarbons with large molecular size.

Electronic distributions within protein phenylalanine aromatic rings are reflected by the three-dimensional oxygen atom environments.

PubMed Central

Thomas, K A; Smith, G M; Thomas, T B; Feldmann, R J

1982-01-01

The atomic environments of 170 phenylalanine-residue aromatic rings from 28 protein crystal structures are transformed into a common orientation and combined to calculate an average three-dimensional environment. The spatial distribution of atom types in this environment reveals a preferred interaction between oxygen atoms and the edge of the planar aromatic rings. From the difference in frequency of interaction of oxygen atoms with the edge and the top of the ring, an apparent net free energy difference of interaction favoring the edge of the ring is estimated to be about -1 kcal/mol (1 cal = 4.184 J). Ab initio quantum mechanical calculations, performed on a model consisting of benzene and formamide, indicate that the observed geometry is stabilized by a favorable enthalpic interaction. Although benzene rings are considered to be nonpolar, the electron distribution is a complex multipole with no net dipole moment. The observed interaction orientation frequencies demonstrate that these multipolar electron distributions, when occurring at the short distances encountered in densely packed protein molecules, are significant determinants of internal packing geometries. PMID:6956896

A Novel Four-Node Quadrilateral Smoothing Element for Stress Enhancement and Error Estimation

NASA Technical Reports Server (NTRS)

Tessler, A.; Riggs, H. R.; Dambach, M.

1998-01-01

A four-node, quadrilateral smoothing element is developed based upon a penalized-discrete-least-squares variational formulation. The smoothing methodology recovers C1-continuous stresses, thus enabling effective a posteriori error estimation and automatic adaptive mesh refinement. The element formulation is originated with a five-node macro-element configuration consisting of four triangular anisoparametric smoothing elements in a cross-diagonal pattern. This element pattern enables a convenient closed-form solution for the degrees of freedom of the interior node, resulting from enforcing explicitly a set of natural edge-wise penalty constraints. The degree-of-freedom reduction scheme leads to a very efficient formulation of a four-node quadrilateral smoothing element without any compromise in robustness and accuracy of the smoothing analysis. The application examples include stress recovery and error estimation in adaptive mesh refinement solutions for an elasticity problem and an aerospace structural component.

Si K EDGE STRUCTURE AND VARIABILITY IN GALACTIC X-RAY BINARIES

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schulz, Norbert S.; Corrales, Lia; Canizares, Claude R.

2016-08-10

We survey the Si K edge structure in various absorbed Galactic low-mass X-ray binaries (LMXBs) to study states of silicon in the inter- and circum-stellar medium. The bulk of these LMXBs lie toward the Galactic bulge region and all have column densities above 10{sup 22} cm{sup −2}. The observations were performed using the Chandra High Energy Transmission Grating Spectrometer. The Si K edge in all sources appears at an energy value of 1844 ± 0.001 eV. The edge exhibits significant substructure that can be described by a near edge absorption feature at 1849 ± 0.002 eV and a far edgemore » absorption feature at 1865 ± 0.002 eV. Both of these absorption features appear variable with equivalent widths up to several mÅ. We can describe the edge structure using several components: multiple edge functions, near edge absorption excesses from silicates in dust form, signatures from X-ray scattering optical depths, and a variable warm absorber from ionized atomic silicon. The measured optical depths of the edges indicate much higher values than expected from atomic silicon cross sections and interstellar medium abundances, and they appear consistent with predictions from silicate X-ray absorption and scattering. A comparison with models also indicates a preference for larger dust grain sizes. In many cases, we identify Si xiii resonance absorption and determine ionization parameters between log ξ = 1.8 and 2.8 and turbulent velocities between 300 and 1000 km s{sup −1}. This places the warm absorber in close vicinity of the X-ray binaries. In some data, we observe a weak edge at 1.840 keV, potentially from a lesser contribution of neutral atomic silicon.« less

Formation Dynamics of Potassium-Based Graphite Intercalation Compounds: An Ab Initio Study

NASA Astrophysics Data System (ADS)

Jiang, Xiankai; Song, Bo; Tománek, David

2018-04-01

This paper is a contribution to the Physical Review Applied collection in memory of Mildred S. Dresselhaus. We use ab initio molecular dynamics simulations to study the microscopic dynamics of potassium intercalation in graphite. Upon adsorbing on graphite from the vapor phase, K atoms transfer their valence charge to the substrate. K atoms adsorbed on the surface diffuse rapidly along the graphene basal plane and eventually enter the interlayer region following a "U -turn" across the edge, gaining additional energy. This process is promoted at higher coverages associated with higher K pressure, leading to the formation of a stable intercalation compound. We find that the functionalization of graphene edges is an essential prerequisite for intercalation since bare edges reconstruct and reconnect, closing off the entry channels for the atoms.

Low Dose CT Reconstruction via Edge-preserving Total Variation Regularization

PubMed Central

Tian, Zhen; Jia, Xun; Yuan, Kehong; Pan, Tinsu; Jiang, Steve B.

2014-01-01

High radiation dose in CT scans increases a lifetime risk of cancer and has become a major clinical concern. Recently, iterative reconstruction algorithms with Total Variation (TV) regularization have been developed to reconstruct CT images from highly undersampled data acquired at low mAs levels in order to reduce the imaging dose. Nonetheless, the low contrast structures tend to be smoothed out by the TV regularization, posing a great challenge for the TV method. To solve this problem, in this work we develop an iterative CT reconstruction algorithm with edge-preserving TV regularization to reconstruct CT images from highly undersampled data obtained at low mAs levels. The CT image is reconstructed by minimizing an energy consisting of an edge-preserving TV norm and a data fidelity term posed by the x-ray projections. The edge-preserving TV term is proposed to preferentially perform smoothing only on non-edge part of the image in order to better preserve the edges, which is realized by introducing a penalty weight to the original total variation norm. During the reconstruction process, the pixels at edges would be gradually identified and given small penalty weight. Our iterative algorithm is implemented on GPU to improve its speed. We test our reconstruction algorithm on a digital NCAT phantom, a physical chest phantom, and a Catphan phantom. Reconstruction results from a conventional FBP algorithm and a TV regularization method without edge preserving penalty are also presented for comparison purpose. The experimental results illustrate that both TV-based algorithm and our edge-preserving TV algorithm outperform the conventional FBP algorithm in suppressing the streaking artifacts and image noise under the low dose context. Our edge-preserving algorithm is superior to the TV-based algorithm in that it can preserve more information of low contrast structures and therefore maintain acceptable spatial resolution. PMID:21860076

Anomalous small-angle scattering as a way to solve the Babinet principle problem

DOE Office of Scientific and Technical Information (OSTI.GOV)

Boiko, M. E., E-mail: m.e.boiko@mail.ioffe.ru; Sharkov, M. D.; Boiko, A. M.

2013-12-15

X-ray absorption spectra (XAS) have been used to determine the absorption edges of atoms present in a sample under study. A series of small-angle X-ray scattering (SAXS) measurements using different monochromatic X-ray beams at different wavelengths near the absorption edges is performed to solve the Babinet principle problem. The sizes of clusters containing atoms determined by the method of XAS were defined in SAXS experiments. In contrast to differential X-ray porosimetry, anomalous SAXS makes it possible to determine sizes of clusters of different atomic compositions.

Raman fingerprints of atomically precise graphene nanoribbons

DOE PAGES

Verzhbitskiy, Ivan A.; Corato, Marzio De; Ruini, Alice; ...

2016-02-23

Bottom-up approaches allow the production of ultranarrow and atomically precise graphene nanoribbons (GNRs) with electronic and optical properties controlled by the specific atomic structure. Combining Raman spectroscopy and ab initio simulations, we show that GNR width, edge geometry, and functional groups all influence their Raman spectra. As a result, the low-energy spectral region below 1000 cm –1 is particularly sensitive to edge morphology and functionalization, while the D peak dispersion can be used to uniquely fingerprint the presence of GNRs and differentiates them from other sp 2 carbon nanostructures.

Anomalous small-angle scattering as a way to solve the Babinet principle problem

NASA Astrophysics Data System (ADS)

Boiko, M. E.; Sharkov, M. D.; Boiko, A. M.; Bobyl, A. V.

2013-12-01

X-ray absorption spectra (XAS) have been used to determine the absorption edges of atoms present in a sample under study. A series of small-angle X-ray scattering (SAXS) measurements using different monochromatic X-ray beams at different wavelengths near the absorption edges is performed to solve the Babinet principle problem. The sizes of clusters containing atoms determined by the method of XAS were defined in SAXS experiments. In contrast to differential X-ray porosimetry, anomalous SAXS makes it possible to determine sizes of clusters of different atomic compositions.

Out-of-plane spin polarization of edge currents in Chern insulator with Rashba spin-orbit interaction

NASA Astrophysics Data System (ADS)

Chen, Tsung-Wei; Hsiao, Chin-Lun; Hu, Chong-Der

2016-07-01

We investigate the change in the non-zero Chern number and out-of-plane spin polarization of the edge currents in a honeycomb lattice with the Haldane-Rashba interaction. This interaction breaks the time-reversal symmetry due to the Haldane phase caused by a current loop at the site-I and site-II atoms, and also accounts for the Rashba-type spin-orbit interaction. The Rashba spin-orbit interaction increases the number of Dirac points and the band-touching phenomenon can be generated by tuning the on-site potential in the non-zero Haldane phase. By using the Pontryagin winding number and numerical Berry curvature methods, we find that the Chern number pattern is {+2, -1, 0} and {-2, +1, 0} for the positive and negative Haldane phase, respectively. A non-zero Chern number is called a Chern-insulating phase. We discovered that changes in both the Haldane phase and on-site potential leads to a change in the orientation of the bulk spin polarization of site-I and site-II atoms. Interestingly, in a ribbon with a zigzag edge, which naturally has site-I atoms at one outer edge and site-II atoms at the opposite outer edge, the spin polarization of the edge states approximately obeys the properties of bulk spin polarization regardless of the change in the Chern number. In addition, even when the Chern number changes from  +2 to  -1 (or  -2 to  +1), by tuning the strength of the on-site potential, the sign of the spin polarization of the edge states persists. This approximate bulk-edge correspondence of the spin polarization in the Haldane-Rashba system would play an important role in spintronics, because it enables us to control the orientation of the spin polarization in a single Chern-insulating phase.

Out-of-plane spin polarization of edge currents in Chern insulator with Rashba spin-orbit interaction.

PubMed

Chen, Tsung-Wei; Hsiao, Chin-Lun; Hu, Chong-Der

2016-07-13

We investigate the change in the non-zero Chern number and out-of-plane spin polarization of the edge currents in a honeycomb lattice with the Haldane-Rashba interaction. This interaction breaks the time-reversal symmetry due to the Haldane phase caused by a current loop at the site-I and site-II atoms, and also accounts for the Rashba-type spin-orbit interaction. The Rashba spin-orbit interaction increases the number of Dirac points and the band-touching phenomenon can be generated by tuning the on-site potential in the non-zero Haldane phase. By using the Pontryagin winding number and numerical Berry curvature methods, we find that the Chern number pattern is {+2, -1, 0} and {-2, +1, 0} for the positive and negative Haldane phase, respectively. A non-zero Chern number is called a Chern-insulating phase. We discovered that changes in both the Haldane phase and on-site potential leads to a change in the orientation of the bulk spin polarization of site-I and site-II atoms. Interestingly, in a ribbon with a zigzag edge, which naturally has site-I atoms at one outer edge and site-II atoms at the opposite outer edge, the spin polarization of the edge states approximately obeys the properties of bulk spin polarization regardless of the change in the Chern number. In addition, even when the Chern number changes from  +2 to  -1 (or  -2 to  +1), by tuning the strength of the on-site potential, the sign of the spin polarization of the edge states persists. This approximate bulk-edge correspondence of the spin polarization in the Haldane-Rashba system would play an important role in spintronics, because it enables us to control the orientation of the spin polarization in a single Chern-insulating phase.

Partially turbulated trailing edge cooling passages for gas turbine nozzles

DOEpatents

Thatcher, Jonathan Carl; Burdgick, Steven Sebastian

2001-01-01

A plurality of passages are spaced one from the other along the length of a trailing edge of a nozzle vane in a gas turbine. The passages lie in communication with a cavity in the vane for flowing cooling air from the cavity through the passages through the tip of the trailing edge into the hot gas path. Each passage is partially turbulated and includes ribs in an aft portion thereof to provide enhanced cooling effects adjacent the tip of the trailing edge. The major portions of the passages are smooth bore. By this arrangement, reduced temperature gradients across the trailing edge metal are provided. Additionally, the inlets to each of the passages have a restriction whereby a reduced magnitude of compressor bleed discharge air is utilized for trailing edge cooling purposes.

Magic Clusters of MoS2 by Edge S2 Interdimer Spacing Modulation.

PubMed

Ryou, Junga; Kim, Yong-Sung

2018-05-17

Edge atomic and electronic structures of S-saturated Mo-edge triangular MoS 2 nanoclusters are investigated using density functional theory calculations. The edge electrons described by the S 2 -p x p x π* (S 2 -Π x ) and Mo-d xy orbitals are found to interplay to pin the S 2 -Π x Fermi wavenumber at k F = 2/5 as the nanocluster size increases, and correspondingly, the ×5 Peierls edge S 2 interdimer spacing modulation is induced. For the particular sizes of N = 5 n - 2 and 5 n, where N is the number of Mo atoms at one edge representing the nanocluster size and n is a positive integer, the effective ×5 interdimer spacing modulation stabilizes the nanoclusters, which are identified here to be the magic S-saturated Mo-edge triangular MoS 2 nanoclusters. With the S 2 -Π x Peierls gap, the MoS 2 nanoclusters become far-edge S 2 -Π x semiconducting and subedge Mo-d xy metallic as N → ∞.

Thermal motion in proteins: Large effects on the time-averaged interaction energies

NASA Astrophysics Data System (ADS)

Goethe, Martin; Fita, Ignacio; Rubi, J. Miguel

2016-03-01

As a consequence of thermal motion, inter-atomic distances in proteins fluctuate strongly around their average values, and hence, also interaction energies (i.e. the pair-potentials evaluated at the fluctuating distances) are not constant in time but exhibit pronounced fluctuations. These fluctuations cause that time-averaged interaction energies do generally not coincide with the energy values obtained by evaluating the pair-potentials at the average distances. More precisely, time-averaged interaction energies behave typically smoother in terms of the average distance than the corresponding pair-potentials. This averaging effect is referred to as the thermal smoothing effect. Here, we estimate the strength of the thermal smoothing effect on the Lennard-Jones pair-potential for globular proteins at ambient conditions using x-ray diffraction and simulation data of a representative set of proteins. For specific atom species, we find a significant smoothing effect where the time-averaged interaction energy of a single atom pair can differ by various tens of cal/mol from the Lennard-Jones potential at the average distance. Importantly, we observe a dependency of the effect on the local environment of the involved atoms. The effect is typically weaker for bulky backbone atoms in beta sheets than for side-chain atoms belonging to other secondary structure on the surface of the protein. The results of this work have important practical implications for protein software relying on free energy expressions. We show that the accuracy of free energy expressions can largely be increased by introducing environment specific Lennard-Jones parameters accounting for the fact that the typical thermal motion of protein atoms depends strongly on their local environment.

Photo-oxidative doping in π-conjugated zig-zag chain of carbon atoms with sulfur-functional group

NASA Astrophysics Data System (ADS)

Ikeura-Sekiguchi, Hiromi; Sekiguchi, Tetsuhiro

2017-12-01

Photo-oxidative doping processes were studied for the trans-polyacetylene backbone with the -SCH3 side group as a chemically representative of the precisely controlled S-functionalized zig-zag graphene nanoribbon edge. Sulfur K-edge X-ray absorption near edge structure (XANES) spectroscopy indicates that photochemical reaction of S-CH3 with atmospheric O2 forms selectively oxidized products such as -S(O)CH3 and -SO3- bound to the polyacetylene (PA) backbone. Using the correlation between the oxidation states of sulfur and the XANES peak positions, the partial charge distribution of CH3Sδ+-PAδ- has been estimated. Such positively charged sulfur atoms can attract higher electronegative oxygen atoms and expect to enhance the photooxidization capabilities. The formation of the -SO3- side group is evidently responsible for hole doping into the PA backbone. The results can provide some strategy for area-selective and controllable doping processes of atomic-scale molecular systems with the assistance of UV light.

A geometric level set model for ultrasounds analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sarti, A.; Malladi, R.

We propose a partial differential equation (PDE) for filtering and segmentation of echocardiographic images based on a geometric-driven scheme. The method allows edge-preserving image smoothing and a semi-automatic segmentation of the heart chambers, that regularizes the shapes and improves edge fidelity especially in presence of distinct gaps in the edge map as is common in ultrasound imagery. A numerical scheme for solving the proposed PDE is borrowed from level set methods. Results on human in vivo acquired 2D, 2D+time,3D, 3D+time echocardiographic images are shown.

Sectioning Coated Specimens Without Edge Rounding

NASA Technical Reports Server (NTRS)

Mckechnie, Timothy N.

1988-01-01

New method devised for preparation of cross sections of coated specimens for scanning electron microscopy or energy-dispersive analysis without rounding edges of coatings. After cutting and polishing, specimen section remains smooth and flat so it can be examined under high magnification out to edge of coating. Sectioned blade first electroplated with hard nickel 0.003 in., then encapsulated in two layers of material: soft conductive material at bottom and 0.25 in. of hard diallyl phthalate at top. Nickel plate provides electrical path from surface of section to conductive material below.

Judder-Induced Edge Flicker at Zero Spatial Contrast

NASA Technical Reports Server (NTRS)

Larimer, James; Feng, Christine; Gille, Jennifer; Cheung, Victor

2004-01-01

Judder is a motion artifact that degrades the quality of video imagery. Smooth motion appears jerky and can appear to flicker along the leading and trailing edge of the moving object. In a previous paper, we demonstrated that the strength of the edge flicker signal depended upon the brightness of the scene and the contrast of the moving object relative to the background. Reducing the contrast between foreground and background reduced the flicker signal. In this report, we show that the contrast signal required for judder-induced edge flicker is due to temporal contrast and not simply to spatial contrast. Bars made of random dots of the same dot density as the background exhibit edge flicker when moved at sufficient rate.

Spontaneous emission near the edge of a photonic band gap

NASA Astrophysics Data System (ADS)

John, Sajeev; Quang, Tran

1994-08-01

The spectral and dynamical features of spontaneous emission from two and three-level atoms in which one transition frequency lay near the edge of a photonic band gap (PBG) were derived. These features included temporal oscillations, fractionalized steady-state atomic population on the excited state, spectral splitting and subnatural bandwidth. The effect of N-1 unexcited atoms were also taken into account. The direct consequences of photon localization as embodied in the photon-atom bound state were observed. One feasible experimental accomplishment of these effects may ensue from laser-cooled atoms in the void regions of a PBG medium. Another option is the application of an organic impurity molecule such as pentacene. Such molecules were known to show extremely narrow linewidths when placed in fitting solid hosts.

Liquid-film electron stripper

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gavin, B.F.

1986-12-02

This patent describes an improved liquid-film electron stripper for high intensity heavy ion beams comprising: at least one rotatable disc mounted in a housing, means for rotating the disc, a liquid reservoir operatively connected to the housing, means for directing liquid from the reservoir onto the rotatable disc for forming a film of liquid as liquid is spun from the disc, the disc being configured to define a sharp edge located at one side of the periphery of the disc, and configured to include a flat, smooth radially outer section located adjacent the sharp edge, the liquid being directed ontomore » the flat, smooth section of the disc, the means for directing liquid onto the disc including a nozzle positioned with respect to the disc so that liquid from the nozzle impinges at about a 90/sup 0/ angle with respect to the flat, smooth surface of the disc, and liquid film terminator means located in spaced relation to the disc and approximately perpendicular to a formed liquid film, the terminator means comprising at least one ribbon of material secured to the housing.« less

Atomistic simulations of contact area and conductance at nanoscale interfaces.

PubMed

Hu, Xiaoli; Martini, Ashlie

2017-11-09

Atomistic simulations were used to study conductance across the interface between a nanoscale gold probe and a graphite surface with a step edge. Conductance on the graphite terrace was observed to increase with load and be approximately proportional to contact area calculated from the positions of atoms in the interface. The relationship between area and conductance was further explored by varying the position of the contact relative to the location of the graphite step edge. These simulations reproduced a previously-reported current dip at step edges measured experimentally and the trend was explained by changes in both contact area and the distribution of distances between atoms in the interface. The novel approach reported here provides a foundation for future studies of the fundamental relationships between conductance, load and surface topography at the atomic scale.

Optimization of Neutral Atom Imagers

NASA Technical Reports Server (NTRS)

Shappirio, M.; Coplan, M.; Balsamo, E.; Chornay, D.; Collier, M.; Hughes, P.; Keller, J.; Ogilvie, K.; Williams, E.

2008-01-01

The interactions between plasma structures and neutral atom populations in interplanetary space can be effectively studied with energetic neutral atom imagers. For neutral atoms with energies less than 1 keV, the most efficient detection method that preserves direction and energy information is conversion to negative ions on surfaces. We have examined a variety of surface materials and conversion geometries in order to identify the factors that determine conversion efficiency. For chemically and physically stable surfaces smoothness is of primary importance while properties such as work function have no obvious correlation to conversion efficiency. For the noble metals, tungsten, silicon, and graphite with comparable smoothness, conversion efficiency varies by a factor of two to three. We have also examined the way in which surface conversion efficiency varies with the angle of incidence of the neutral atom and have found that the highest efficiencies are obtained at angles of incidence greater then 80deg. The conversion efficiency of silicon, tungsten and graphite were examined most closely and the energy dependent variation of conversion efficiency measured over a range of incident angles. We have also developed methods for micromachining silicon in order to reduce the volume to surface area over that of a single flat surface and have been able to reduce volume to surface area ratios by up to a factor of 60. With smooth micro-machined surfaces of the optimum geometry, conversion efficiencies can be increased by an order of magnitude over instruments like LENA on the IMAGE spacecraft without increase the instruments mass or volume.

Dynamics behavior of lithium in graphite lattice: MD calculation approach

NASA Astrophysics Data System (ADS)

Shimizu, A.; Tachikawa, H.

2000-12-01

In order to investigate the diffusion process of Li atom in graphite, molecular dynamics simulation was achieved on the basis of molecular mechanics 2 (MM2) method using four layers cluster model one of which is composed of C150H30 with terminating hydrogen atoms. According to the simulations at 500 K, Li atom stabilizes initially around the center of mass, gets out of the graphite layers after 3.0 ps through diffusion, which is different from the movement of Li+ ion captured by the dangling bonds of the edge carbon atoms. The diffusion process of Li atom is found to be composed of following four steps in series: (1) vibration around the stabilization point; (2) bulk diffusion; (3) vibration under influence of the dangling bonds of edge carbon atoms; and (4) escape from the graphite layers. The diffusivity for step (3) is smaller than that for step (2).

Experimental observation of edge transport in graphene nanostructures

NASA Astrophysics Data System (ADS)

Kinikar, Amogh; Sai, T. Phanindra; Bhattacharyya, Semonti; Agarwala, Adhip; Biswas, Tathagata; Sarker, Sanjoy K.; Krishnamurthy, H. R.; Jain, Manish; Shenoy, Vijay B.; Ghosh, Arindam

The zizzag edges of graphene, whether single or few layers, host zero energy gapless states and are perfect 1D ballistic conductors. Conclusive observations of electrical conduction through edge states has been elusive. We report the observation of edge bound transport in atomic-scale constrictions of single and multilayer suspended graphene created stochastically by nanomechanical exfoliation of graphite. We observe that the conductance is quantized in near multiples of e2/h. Non-equilibrium transport shows a split zero bias anomaly and, the magneto-conductance is hysteretic; indicating that the electron transport is through spin polarized edge states in the presence of electron-electron interaction. Atomic force microscope scans on the graphite surface post exfoliation reveal that the final constriction is usually a single layer graphene with a constricting angle of 30o. Tearing along crystallographic angles suggests the tears occur along zigzag and armchair configurations with high fidelity of the edge morphology. We acknowledge the financial support from the DST, Government of India. SS acknowledges support from the NSF (DMR-1508680).

Majorana edge States in atomic wires coupled by pair hopping.

PubMed

Kraus, Christina V; Dalmonte, Marcello; Baranov, Mikhail A; Läuchli, Andreas M; Zoller, P

2013-10-25

We present evidence for Majorana edge states in a number conserving theory describing a system of spinless fermions on two wires that are coupled by pair hopping. Our analysis is based on a combination of a qualitative low energy approach and numerical techniques using the density matrix renormalization group. In addition, we discuss an experimental realization of pair-hopping interactions in cold atom gases confined in optical lattices.

EXAFS and XANES investigation of the ETS-10 microporous titanosilicate.

PubMed

Prestipino, C; Solari, P L; Lamberti, C

2005-07-14

In this work, we report state-of-the-art analysis of both Ti K-edge high-resolution XANES and EXAFS data collected on the ETS-10 molecular sieve at the GILDA BM8 beamline of the ESRF facility. The interatomic distances and the angles obtained in our EXAFS study are in fair agreement with the single-crystal XRD data of Wang and Jacobson (Chem. Commun. 1999, 973) and with the recent ab initio periodic study of Damin et al. (J. Phys. Chem. B 2004, 108, 1328) Differently from previous EXAFS work (J. Phys. Chem. 1996, 100, 449), our study supports a model of ETS-10 where the Ti atoms are bonded with two equivalent axial oxygen atoms. This model is also able to reproduce the edge and the post-edge region of the XANES spectrum. Conversely, the weak but well-defined pre-edge peak at 4971.3 eV can be explained only by assuming that a fraction of Ti atoms are in a local geometry similar to that of the pentacoordinated Ti sites in the ETS-4 structure. These Ti atoms in ETS-10 should be the terminal of the -Ti-O-Ti-O-Ti- chains, of which the actual number is strongly increased by the high crystal defectivity (Ti vacancies).

Local structure in LaMnO3 and CaMnO3 perovskites: A quantitative structural refinement of Mn K -edge XANES data

NASA Astrophysics Data System (ADS)

Monesi, C.; Meneghini, C.; Bardelli, F.; Benfatto, M.; Mobilio, S.; Manju, U.; Sarma, D. D.

2005-11-01

Hole-doped perovskites such as La1-xCaxMnO3 present special magnetic and magnetotransport properties, and it is commonly accepted that the local atomic structure around Mn ions plays a crucial role in determining these peculiar features. Therefore experimental techniques directly probing the local atomic structure, like x-ray absorption spectroscopy (XAS), have been widely exploited to deeply understand the physics of these compounds. Quantitative XAS analysis usually concerns the extended region [extended x-ray absorption fine structure (EXAFS)] of the absorption spectra. The near-edge region [x-ray absorption near-edge spectroscopy (XANES)] of XAS spectra can provide detailed complementary information on the electronic structure and local atomic topology around the absorber. However, the complexity of the XANES analysis usually prevents a quantitative understanding of the data. This work exploits the recently developed MXAN code to achieve a quantitative structural refinement of the Mn K -edge XANES of LaMnO3 and CaMnO3 compounds; they are the end compounds of the doped manganite series LaxCa1-xMnO3 . The results derived from the EXAFS and XANES analyses are in good agreement, demonstrating that a quantitative picture of the local structure can be obtained from XANES in these crystalline compounds. Moreover, the quantitative XANES analysis provides topological information not directly achievable from EXAFS data analysis. This work demonstrates that combining the analysis of extended and near-edge regions of Mn K -edge XAS spectra could provide a complete and accurate description of Mn local atomic environment in these compounds.

Local structure and polarization resistance of Ce doped SrMnO{sub 3} using extended x-ray fine structure analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ryu, Jiseung; Lee, Heesoo, E-mail: heesoo@pusan.ac.kr

2014-09-15

Changes to the local structure of Sr and Mn atoms in Sr{sub 1−x}Ce{sub x}MnO{sub 3} (SCM) according to increasing Ce content and the effect of the structural change on the polarization resistance of SCM were investigated. The reduction of manganese was confirmed by the absorption edge shift of the Mn K-edge toward lower energies. The noise of oscillation in extended X-ray absorption fine structure k{sup 3}χ data at Mn K-edge reveals the distortion of the local structure of Mn atoms, and the peak that indicates the bonding length of Mn-O, Sr/Ce, and -Mn decreased with the addition of Ce contentmore » in Fourier transformations of the Mn K-edge. The distortion of the local structure at Mn atoms was affected by the reduced manganese ions having larger ionic radii than Mn{sup 4+}. Meanwhile, few distortions of local atomic structures of Sr atoms occurred, and the average nearest neighboring distances of Sr-O and Sr-Mn are ∼2.13 Å and ∼2.95 Å, respectively. The average bonding lengths of the Ce-O and Ce-Mn increased because the ionic radius of substituted Ce ion with 12 coordination number is smaller than that of Sr ion, which leads the reduction of Mn ions and the distortion of local structure at the substituted A-site. Therefore, we reasoned that the distortion of the local atomic structure at Mn atoms in MnO{sub 6} and Ce atoms in A-site is one of the causes for interrupting oxygen ion transfers as a geometric factor, which results in an increase in the polarization resistance of SCM within the Ce composition range from 10 mol. % to 30 mol. %.« less

Structural and Dynamical Properties of 2:1 Phyllosilicates Edges and Nanoparticles

NASA Astrophysics Data System (ADS)

Newton, A. G.; Sposito, G.

2012-12-01

Classical mechanics simulations of bulk 2:1 phyllosilicate minerals provide atomic scale perspectives of the macroscopic sorption and diffusion phenomena in interlayer nanopores. An equivalent perspective of these interfacial phenomena in macropores bounded by the edges of stacked phyllosilicate particles is not possible due to the absence of a forcefield for the edges of phyllosilicate minerals. A valid forcefield to describe the phyllosilicate edge is essential to link the quantum and continuum mechanical models. The inherently disordered edge of 2:1 phyllosilicate minerals and rarity of well-crystallized samples further complicates the task of validating a forcefield for the phyllosilicate edge. Periodic bond chain theory identifies three tetrahedral-octahedral-tetrahedral (TOT) structures that parallel the edge faces of pseudohexagonal phyllosilicate particles. These TOT structures are the basis of atomistic models of the dominant edge interface and nanoparticles. The CLAYFF forcefield describes all pairwise atomic interactions with only minimal partial charge adjustments to maintain model neutrality, where necessary. Atomistic simulations in the isobaric-isothermal ensemble at nanosecond timescales predict equilibrium edge structures and dynamical properties of the aqueous interface. The CLAYFF forcefield and the limited adjustments to parameters predict edge and particle structures that are consistent with the results of ab initio MD simulations, support macroscopic observations of phyllosilicate reactivity, and provide legitimacy for disordered models of 2:1 phyllosilicates. The heterogeneous edge structures can be explained by the chemistry of the octahedral cation and surface charge anisotropy. In the plane of the octahedral sheet, the cations of the octahedral layer can assume four-, five-, and six-coordinate polyhedral geometries at the edge interface. These disordered edge structures create alternate alignments in the tetrahedral sheet. The structural and dynamical properties of the phyllosilicate edge interface differ from those of the 2:1 phyllosilicate basal surface. The non-planar surface structure and abundant oxygen atoms and hydroxyl groups at the edge order the water layers such that a steep gradient in the water self-diffusion coefficient exists near the surface. Isolated phyllosilicate nanoparticles maintain the original crystal habit; disordered edge structures emerge upon stacking of the particles. These simulations validate CLAYFF as a general forcefield for 2:1 phyllosilicate edges and nanoparticles and demonstrate a powerful method for future investigations of geologic media at the mesoscale.

Entropy-guided switching trimmed mean deviation-boosted anisotropic diffusion filter

NASA Astrophysics Data System (ADS)

Nnolim, Uche A.

2016-07-01

An effective anisotropic diffusion (AD) mean filter variant is proposed for filtering of salt-and-pepper impulse noise. The implemented filter is robust to impulse noise ranging from low to high density levels. The algorithm involves a switching scheme in addition to utilizing the unsymmetric trimmed mean/median deviation to filter image noise while greatly preserving image edges, regardless of impulse noise density (ND). It operates with threshold parameters selected manually or adaptively estimated from the image statistics. It is further combined with the partial differential equations (PDE)-based AD for edge preservation at high NDs to enhance the properties of the trimmed mean filter. Based on experimental results, the proposed filter easily and consistently outperforms the median filter and its other variants ranging from simple to complex filter structures, especially the known PDE-based variants. In addition, the switching scheme and threshold calculation enables the filter to avoid smoothing an uncorrupted image, and filtering is activated only when impulse noise is present. Ultimately, the particular properties of the filter make its combination with the AD algorithm a unique and powerful edge-preservation smoothing filter at high-impulse NDs.

Characterization of poly(Sodium Styrene Sulfonate) Thin Films Grafted from Functionalized Titanium Surfaces

PubMed Central

Zorn, Gilad; Baio, Joe E.; Weidner, Tobias; Migonney, Veronique; Castner, David G.

2011-01-01

Biointegration of titanium implants in the body is controlled by their surface properties. Improving surface properties by coating with a bioactive polymer is a promising approach to improve the biological performance of titanium implants. To optimize the grafting processes, it is important to fully understand the composition and structure of the modified surfaces. The main focus of this study is to provide a detailed, multi-technique characterization of a bioactive poly(sodium styrene sulfonate) (pNaSS) thin film grafted from titanium surfaces via a two-step procedure. Thin titanium films (~50 nm thick with an average surface roughness of 0.9±0.2nm) prepared by evaporation onto silicon wafers were used as smooth model substrates. X-ray photoelectron spectroscopy (XPS) and time-of-flight secondary ion mass spectrometry (ToF-SIMS) showed that the titanium film was covered with a TiO2 layer that was at least 10nm thick and contained hydroxyl groups present at the outermost surface. These hydroxyl groups were first modified with a 3-methacryloxypropyltrimethoxysilane (MPS) cross linker. XPS and ToF-SIMS showed that a monolayer of the MPS molecules were successfully attached onto the titanium surfaces. The pNaSS film was grafted from the MPS modified titanium through atom transfer radical polymerization. Again, XPS and ToF-SIMS were used to verify that the pNaSS molecules were successfully grafted onto the modified surfaces. Atomic force microscopy analysis showed that the film was smooth and uniformly covered the surface. Fourier transform infrared spectroscopy indicated an ordered array of grafted NaSS molecules were present on the titanium surfaces. Sum frequency generation vibration spectroscopy and near edge X-ray absorption fine structure spectroscopy illustrated that the NaSS molecules were grafted onto the titanium surface with a substantial degree of orientational order in the styrene rings. PMID:21892821

Markov random field model-based edge-directed image interpolation.

PubMed

Li, Min; Nguyen, Truong Q

2008-07-01

This paper presents an edge-directed image interpolation algorithm. In the proposed algorithm, the edge directions are implicitly estimated with a statistical-based approach. In opposite to explicit edge directions, the local edge directions are indicated by length-16 weighting vectors. Implicitly, the weighting vectors are used to formulate geometric regularity (GR) constraint (smoothness along edges and sharpness across edges) and the GR constraint is imposed on the interpolated image through the Markov random field (MRF) model. Furthermore, under the maximum a posteriori-MRF framework, the desired interpolated image corresponds to the minimal energy state of a 2-D random field given the low-resolution image. Simulated annealing methods are used to search for the minimal energy state from the state space. To lower the computational complexity of MRF, a single-pass implementation is designed, which performs nearly as well as the iterative optimization. Simulation results show that the proposed MRF model-based edge-directed interpolation method produces edges with strong geometric regularity. Compared to traditional methods and other edge-directed interpolation methods, the proposed method improves the subjective quality of the interpolated edges while maintaining a high PSNR level.

Edge effects on the electronic properties of phosphorene nanoribbons

DOE Office of Scientific and Technical Information (OSTI.GOV)

Peng, Xihong, E-mail: xihong.peng@asu.edu; Copple, Andrew; Wei, Qun

2014-10-14

Two dimensional few-layer black phosphorus crystal structures have recently been fabricated and have demonstrated great potential in electronic applications. In this work, we employed first principles density functional theory calculations to study the edge and quantum confinement effects on the electronic properties of the phosphorene nanoribbons (PNR). Different edge functionalization groups, such as H, F, Cl, OH, O, S, and Se, in addition to a pristine case were studied for a series of ribbon widths up to 3.5 nm. It was found that the armchair-PNRs (APNRs) are semiconductors for all edge groups considered in this work. However, the zigzag-PNRs (ZPNRs)more » show either semiconductor or metallic behavior in dependence on their edge chemical species. Family 1 edges (i.e., H, F, Cl, OH) form saturated bonds with P atoms in the APNRs and ZPNRs, and the edge states keep far away from the band gap. However, Family 2 edges (pristine, O, S, Se) form weak unsaturated bonds with the p{sub z} orbital of the phosphorus atoms and bring edge states within the band gap of the ribbons. For the ZPNRs, the edge states of Family 2 are present around the Fermi level within the band gap, which close up the band gap of the ZPNRs. For the APNRs, these edge states are located at the bottom of the conduction band and result in a reduced band gap.« less

Unoccupied states in Cu and Zn octaethyl-porphyrin and phthalocyanine.

PubMed

Cook, Peter L; Yang, Wanli; Liu, Xiaosong; García-Lastra, Juan María; Rubio, Angel; Himpsel, F J

2011-05-28

Copper and zinc phthalocyanines and porphyrins are used in organic light emitting diodes and dye-sensitized solar cells. Using near edge x-ray absorption fine structure (NEXAFS) spectroscopy at the Cu 2p and Zn 2p edges, the unoccupied valence states at the Cu and Zn atoms are probed and decomposed into 3d and 4s contributions with the help of density functional calculations. A comparison with the N 1s edge provides the 2p states of the N atoms surrounding the metal, and a comparison with inverse photoemission provides a combined density of states. © 2011 American Institute of Physics

Selective Population of Edge States in a 2D Topological Band System.

PubMed

Galilo, Bogdan; Lee, Derek K K; Barnett, Ryan

2015-12-11

We consider a system of interacting spin-one atoms in a hexagonal lattice under the presence of a synthetic gauge field. Quenching the quadratic Zeeman field is shown to lead to a dynamical instability of the edge modes. This, in turn, leads to a spin current along the boundary of the system which grows exponentially fast in time following the quench. Tuning the magnitude of the quench can be used to selectively populate edge modes of different momenta. Implications of the intrinsic symmetries of the Hamiltonian on the dynamics are discussed. The results hold for atoms with both antiferromagnetic and ferromagnetic interactions.

Improvement and implementation for Canny edge detection algorithm

NASA Astrophysics Data System (ADS)

Yang, Tao; Qiu, Yue-hong

2015-07-01

Edge detection is necessary for image segmentation and pattern recognition. In this paper, an improved Canny edge detection approach is proposed due to the defect of traditional algorithm. A modified bilateral filter with a compensation function based on pixel intensity similarity judgment was used to smooth image instead of Gaussian filter, which could preserve edge feature and remove noise effectively. In order to solve the problems of sensitivity to the noise in gradient calculating, the algorithm used 4 directions gradient templates. Finally, Otsu algorithm adaptively obtain the dual-threshold. All of the algorithm simulated with OpenCV 2.4.0 library in the environments of vs2010, and through the experimental analysis, the improved algorithm has been proved to detect edge details more effectively and with more adaptability.

Enhanced initial protein adsorption on engineered nanostructured cubic zirconia.

PubMed

Sabirianov, R F; Rubinstein, A; Namavar, F

2011-04-14

Motivated by experimentally-observed biocompatibility enhancement of nanoengineered cubic zirconia (ZrO(2)) coatings to mesenchymal stromal cells, we have carried out computational analysis of the initial immobilization of one known structural fragment of the adhesive protein (fibronectin) on the corresponding surface. We constructed an atomistic model of the ZrO(2) nano-hillock of 3-fold symmetry based on Atom Force Microscopy and Transmission Electron Microscopy images. First principle quantum mechanical calculations show a substantial variation of electrostatic potential at the hillock due to the presence of surface features such as edges and vertexes. Using an implemented Monte Carlo simulated annealing method, we found the orientation of the immobilized protein on the ZrO(2) surface and the contribution of the amino acid residues from the protein sequence to the adsorption energy. Accounting for the variation of the dielectric permittivity at the protein-implant interface, we used a model distance-dependent dielectric function to describe the inter-atom electrostatic interactions in the adsorption potential. We found that the initial immobilization of the rigid protein fragment on the nanostructured pyramidal ZrO(2) surface is achieved with a magnitude of adsorption energy larger than that of the protein on the smooth (atomically flat) surface. The strong attractive electrostatic interactions are a major contributing factor in the enhanced adsorption at the nanostructured surface. In the case of adsorption on the flat, uncharged surface this factor is negligible. We show that the best electrostatic and steric fit of the protein to the inorganic surface corresponds to a minimum of the adsorption energy determined by the non-covalent interactions.

Reactivity of hydropersulfides toward the hydroxyl radical unraveled: disulfide bond cleavage, hydrogen atom transfer, and proton-coupled electron transfer.

PubMed

Anglada, Josep M; Crehuet, Ramon; Adhikari, Sarju; Francisco, Joseph S; Xia, Yu

2018-02-14

Hydropersulfides (RSSH) are highly reactive as nucleophiles and hydrogen atom transfer reagents. These chemical properties are believed to be key for them to act as antioxidants in cells. The reaction involving the radical species and the disulfide bond (S-S) in RSSH, a known redox-active group, however, has been scarcely studied, resulting in an incomplete understanding of the chemical nature of RSSH. We have performed a high-level theoretical investigation on the reactions of the hydroxyl radical (˙OH) toward a set of RSSH (R = -H, -CH 3 , -NH 2 , -C(O)OH, -CN, and -NO 2 ). The results show that S-S cleavage and H-atom abstraction are the two competing channels. The electron inductive effect of R induces selective ˙OH substitution at one sulfur atom upon S-S cleavage, forming RSOH and ˙SH for the electron donating groups (EDGs), whereas producing HSOH and ˙SR for the electron withdrawing groups (EWGs). The H-Atom abstraction by ˙OH follows a classical hydrogen atom transfer (hat) mechanism, producing RSS˙ and H 2 O. Surprisingly, a proton-coupled electron transfer (pcet) process also occurs for R being an EDG. Although for RSSH having EWGs hat is the leading channel, S-S cleavage can be competitive or even dominant for the EDGs. The overall reactivity of RSSH toward ˙OH attack is greatly enhanced with the presence of an EDG, with CH 3 SSH being the most reactive species found in this study (overall rate constant: 4.55 × 10 12 M -1 s -1 ). Our results highlight the complexity in RSSH reaction chemistry, the extent of which is closely modulated by the inductive effect of the substituents in the case of the oxidation by hydroxyl radicals.

Studies on effective atomic numbers, electron densities from mass attenuation coefficients near the K edge in some samarium compounds.

PubMed

Akman, F; Durak, R; Turhan, M F; Kaçal, M R

2015-07-01

The effective atomic numbers and electron densities of some samarium compounds were determined using the experimental total mass attenuation coefficient values near the K edge in the X-ray energy range from 36.847 up to 57.142 keV. The measurements, in the region from 36.847 to 57.142 keV, were done in a transmission geometry utilizing the Kα2, Kα1, Kβ1 and Kβ2 X-rays from different secondary source targets excited by the 59.54 keV gamma-photons from an Am-241 annular source. This paper presents the first measurement of the effective atomic numbers and electron densities for some samarium compounds near the K edge. The results of the study showed that the measured values were in good agreement with the theoretically calculated ones. Copyright © 2015 Elsevier Ltd. All rights reserved.

Inverse halftoning via robust nonlinear filtering

NASA Astrophysics Data System (ADS)

Shen, Mei-Yin; Kuo, C.-C. Jay

1999-10-01

A new blind inverse halftoning algorithm based on a nonlinear filtering technique of low computational complexity and low memory requirement is proposed in this research. It is called blind since we do not require the knowledge of the halftone kernel. The proposed scheme performs nonlinear filtering in conjunction with edge enhancement to improve the quality of an inverse halftoned image. Distinct features of the proposed approach include: efficiently smoothing halftone patterns in large homogeneous areas, additional edge enhancement capability to recover the edge quality and an excellent PSNR performance with only local integer operations and a small memory buffer.

3-D Object Pose Determination Using Complex EGI

DTIC Science & Technology

1990-10-01

the length of edges of the polyhedron from the EGI. Dane and Bajcsy [4] make use of the Gaussian Image to spatially segment a group of range points...involving real range data of two smooth objects were conducted. The two smooth objects are the torus and ellipsoid, whose databases have been created...in the simulations earlier. 5.0.1 Implementational Issues The torus and ellipsoid were crafted out of clay to resemble the models whose databases were

Change of Energy of the Cubic Subnanocluster of Iron Under Influence of Interstitial and Substitutional Atoms.

PubMed

Nedolya, Anatoliy V; Bondarenko, Natalya V

2016-12-01

Energy change of an iron face-centred cubic subnanocluster was evaluated using molecular mechanics method depending on the position of a carbon interstitial atom and substitutional atoms of nickel. Calculations of all possible positions of impurity atoms show that the energy change of the system are discrete and at certain positions of the atoms are close to continuous.In terms of energy, when all impurity atoms are on the same edge of an atomic cluster, their positions are more advantageous. The presence of nickel atoms on the edge of a cubic cluster resulted in decrease of potential barrier for a carbon atom and decrease in energy in the whole cluster. A similar drift of a carbon atom from central octahedral interstitial site to the surface in the direction <011> occurred under the influence of surface factors.Such configuration corresponds to decreasing symmetry and increasing the number of possible energy states of a subnanocluster, and it corresponds to the condition of spontaneous crystallization process in an isolated system.Taking into account accidental positions of the nickel atom in the iron cluster, such behaviour of the carbon atom can explain the mechanism of growth of a new phase and formation of new clusters in the presence of other kind of atoms because of surface influence.

Atomic Scattering Factor of the ASTRO-H (Hitomi) SXT Reflector Around the Gold's L Edges

NASA Technical Reports Server (NTRS)

Kikuchi, Naomichi; Kurashima, Sho; Ishida, Manabu; Iizuka, Ryo; Maeda, Yoshitomo; Hayashi, Takayuki; Okajima, Takashi; Matsumoto, Hironori; Mitsubishi, Ikuyuki; Saji, Shigetaka

2016-01-01

The atomic scattering factor in the energy range of 11.2 - 15.4 keV for the ASTRO-H Soft X-ray Telescope (SXT) is reported. The large effective area of the SXT makes use of photon spectra above 10 keV viable, unlike most other X-ray satellites with total-reflection mirror optics. Presence of gold's L-edges in the energy band is a major issue, as it complicates the function of the effective area. In order to model the area, the reflectivity measurements in the 11.2 - 15.4 keV band with the energy pitch of 0.4 - 0.7 eV were made in the synchrotron beam-line Spring-8 BL01B1. We obtained atomic scattering factors f1 and f2 by the curve fitting to the reflectivities of our witness sample. The edges associated with the L-I, II, and III transitions are identified, of which the depths are found to be roughly 60 shallower than those expected from the Henkes atomic scattering factor.

Real-space imaging of a topologically protected edge state with ultracold atoms in an amplitude-chirped optical lattice

PubMed Central

Leder, Martin; Grossert, Christopher; Sitta, Lukas; Genske, Maximilian; Rosch, Achim; Weitz, Martin

2016-01-01

To describe a mobile defect in polyacetylene chains, Su, Schrieffer and Heeger formulated a model assuming two degenerate energy configurations that are characterized by two different topological phases. An immediate consequence was the emergence of a soliton-type edge state located at the boundary between two regions of different configurations. Besides giving first insights in the electrical properties of polyacetylene materials, interest in this effect also stems from its close connection to states with fractional charge from relativistic field theory. Here, using a one-dimensional optical lattice for cold rubidium atoms with a spatially chirped amplitude, we experimentally realize an interface between two spatial regions of different topological order in an atomic physics system. We directly observe atoms confined in the edge state at the intersection by optical real-space imaging and characterize the state as well as the size of the associated energy gap. Our findings hold prospects for the spectroscopy of surface states in topological matter and for the quantum simulation of interacting Dirac systems. PMID:27767054

Edge-based image restoration.

PubMed

Rareş, Andrei; Reinders, Marcel J T; Biemond, Jan

2005-10-01

In this paper, we propose a new image inpainting algorithm that relies on explicit edge information. The edge information is used both for the reconstruction of a skeleton image structure in the missing areas, as well as for guiding the interpolation that follows. The structure reconstruction part exploits different properties of the edges, such as the colors of the objects they separate, an estimate of how well one edge continues into another one, and the spatial order of the edges with respect to each other. In order to preserve both sharp and smooth edges, the areas delimited by the recovered structure are interpolated independently, and the process is guided by the direction of the nearby edges. The novelty of our approach lies primarily in exploiting explicitly the constraint enforced by the numerical interpretation of the sequential order of edges, as well as in the pixel filling method which takes into account the proximity and direction of edges. Extensive experiments are carried out in order to validate and compare the algorithm both quantitatively and qualitatively. They show the advantages of our algorithm and its readily application to real world cases.

Improved metal-insulator-transition characteristics of ultrathin VO2 epitaxial films by optimized surface preparation of rutile TiO2 substrates

NASA Astrophysics Data System (ADS)

Martens, Koen; Aetukuri, Nagaphani; Jeong, Jaewoo; Samant, Mahesh G.; Parkin, Stuart S. P.

2014-02-01

Key to the growth of epitaxial, atomically thin films is the preparation of the substrates on which they are deposited. Here, we report the growth of atomically smooth, ultrathin films of VO2 (001), only ˜2 nm thick, which exhibit pronounced metal-insulator transitions, with a change in resistivity of ˜500 times, at a temperature that is close to that of films five times thicker. These films were prepared by pulsed laser deposition on single crystalline TiO2(001) substrates that were treated by dipping in acetone, HCl and HF in successive order, followed by an anneal at 700-750 °C in flowing oxygen. This pretreatment removes surface contaminants, TiO2 defects, and provides a terraced, atomically smooth surface.

Electrostatic properties of graphene edges for electron emission under an external electric field

NASA Astrophysics Data System (ADS)

Gao, Yanlin; Okada, Susumu

2018-04-01

Electronic properties of graphene edges under a lateral electric field were theoretically studied in regard to their edge shapes and terminations to provide a theoretical insight into their field emission properties. The work function and potential barrier for the electron emission from the graphene edges are sensitive to their shape and termination. We also found that the hydrogenated armchair edge shows the largest emission current among all edges studied here. The electric field outside the chiral edges is spatially modulated along the edge because of the inhomogeneous charge density at the atomic sites of the edge arising from the bond alternation.

Dissolution Processes at Step Edges of Calcite in Water Investigated by High-Speed Frequency Modulation Atomic Force Microscopy and Simulation.

PubMed

Miyata, Kazuki; Tracey, John; Miyazawa, Keisuke; Haapasilta, Ville; Spijker, Peter; Kawagoe, Yuta; Foster, Adam S; Tsukamoto, Katsuo; Fukuma, Takeshi

2017-07-12

The microscopic understanding of the crystal growth and dissolution processes have been greatly advanced by the direct imaging of nanoscale step flows by atomic force microscopy (AFM), optical interferometry, and X-ray microscopy. However, one of the most fundamental events that govern their kinetics, namely, atomistic events at the step edges, have not been well understood. In this study, we have developed high-speed frequency modulation AFM (FM-AFM) and enabled true atomic-resolution imaging in liquid at ∼1 s/frame, which is ∼50 times faster than the conventional FM-AFM. With the developed AFM, we have directly imaged subnanometer-scale surface structures around the moving step edges of calcite during its dissolution in water. The obtained images reveal that the transition region with typical width of a few nanometers is formed along the step edges. Building upon insight in previous studies, our simulations suggest that the transition region is most likely to be a Ca(OH) 2 monolayer formed as an intermediate state in the dissolution process. On the basis of this finding, we improve our understanding of the atomistic dissolution model of calcite in water. These results open up a wide range of future applications of the high-speed FM-AFM to the studies on various dynamic processes at solid-liquid interfaces with true atomic resolution.

Near-edge X-ray absorption spectra for metallic Cu and Mn

NASA Astrophysics Data System (ADS)

Greaves, G. N.; Durham, P. J.; Diakun, G.; Quinn, P.

1981-11-01

The measurement of X-ray absorption fine structure of metals- both in the extended region (EXAFS) as well as in the near edge region (XANES)-has been widely discussed (see refs 1-6 for Cu and refs 7-9 for Mn). The recent availability of intense X-ray fluxes from storage rings has usually been exploited for EXAFS leaving the XANES often with poorer resolution than earlier work performed on conventional sources (for example, compare the near edge structure for copper in ref. 1 with refs 3 or 6). In addition, whilst the theory and analysis of EXAFS is relatively well-established2,10, a theory for the strong scattering regime near to the absorption edge has only recently been developed11. We report here the first high resolution XANES spectra for Cu and Mn which were performed at the SRS storage ring at Daresbury. Although both metals have close-packed structures consisting of atoms of similar size their local atomic structure is different in detail. Significant differences are found in their respective XANES reflecting the senstivity of this region of the X-ray absorption fine structure to the local atomic structure. Spectra for the two metals have been analysed using the new multiple scattering formalism. This is a real space calculation and unlike a conventional band structure approach it does not require structural periodicity but works from the local arrangement of atoms.

Full multiple-scattering calculations on silicates and oxides at the Al K edge

NASA Astrophysics Data System (ADS)

Cabaret, Delphine; Sainctavit, Philippe; Ildefonse, Philippe; Flank, Anne-Marie

1996-05-01

We present full multiple-scattering calculations at the aluminium K edge that we compare with experiments for four crystalline silicates and oxide minerals. In the different minerals aluminium atoms are either fourfold or sixfold coordinated to oxygen atoms in Al sites that are poorly symmetric. The calculations are based on different choices of one-electron potentials according to aluminium coordinations and crystallographic structures of the compounds. Hence it is possible to determine how the near-edge spectral features are a sensitive probe of the effective potential seen by the photoelectron in the molecular environment. The purpose of this work is to determine on the one hand the relation between Al K-edge spectral features and the geometrical arrangements around the aluminium sites, and on the other hand the electronic structure of the compounds.

Surface contamination on LDEF exposed materials

NASA Technical Reports Server (NTRS)

Hemminger, Carol S.

1992-01-01

X-ray photoelectron spectroscopy (XPS) has been used to study the surface composition and chemistry of Long Duration Exposure Facility (LDEF) exposed materials including silvered Teflon (Ag/FEP), Kapton, S13GLO paint, quartz crystal monitors (QCM's), carbon fiber/organic matrix composites, and carbon fiber/Al Alloy composites. In each set of samples, silicones were the major contributors to the molecular film accumulated on the LDEF exposed surfaces. All surfaces analyzed have been contaminated with Si, O, and C; most have low levels (less than 1 atom percent) of N, S, and F. Occasionally observed contaminants included Cl, Na, K, P, and various metals. Orange/brown discoloration observed near vent slots in some Ag/FEP blankets were higher in carbon, sulfur, and nitrogen relative to other contamination types. The source of contamination has not been identified, but amine/amide functionalities were detected. It is probable that this same source of contamination account for the low levels of sulfur and nitrogen observed on most LDEF exposed surfaces. XPS, which probes 50 to 100 A in depth, detected the major sample components underneath the contaminant film in every analysis. This probably indicates that the contaminant overlayer is patchy, with significant areas covered by less that 100 A of molecular film. Energy dispersive x-ray spectroscopy (EDS) of LDEF exposed surfaces during secondary electron microscopy (SEM) of the samples confirmed contamination of the surfaces with Si and O. In general, particulates were not observed to develop from the contaminant overlayer on the exposed LDEF material surfaces. However, many SiO2 submicron particles were seen on a masked edge of an Ag/FEP blanket. In some cases such as the carbon fiber/organic matrix composites, interpretation of the contamination data was hindered by the lack of good laboratory controls. Examination of laboratory controls for the carbon fiber/Al alloy composites showed that preflight contamination was the most significant factor for all the contaminants generally detected at less than 1 atom percent, or detected only occasionally (i.e., all but Si, O, and C). Flight control surfaces, including sample backsides not exposed to space radiation or atomic oxygen flux, have accumulated some contamination on flight (compared to laboratory controls), but experimentally, the LDEF exposed surface contamination levels are generally higher for the contaminants Si and O. For most materials analyzed, Si contamination levels were higher on the leading edge surfaces than on the trailing edge surfaces. This was true even for the composite samples where considerable atomic oxygen erosion of the leading edge surfaces was observed by SEM. It is probable that the return flux associated with atmospheric backscatter resulted in enhanced deposition of silicones and other contaminants on the leading edge flight surfaces relative to the trailing edge. Although the Si concentration data suggested greater on-flight deposition of contaminants on the leading edge surfaces, the XPS analyses did not conclusively show different relative total thicknesses of flight deposited contamination for leading and trailing edge surfaces. It is possible that atomic oxygen reactions on the leading edge resulted in greater volatilization of the carbon component of the deposited silicones, effectively 'thinning' the leading edge deposited overlayer. Unlike other materials, exposed polymers such as Kapton and FEP-type Teflon had very low contamination on the leading edge surfaces. SEM evidence showed that undercutting of the contaminant overlayer and damaged polymer layers occurred during atomic oxygen erosion, which would enhance loss of material from the exposed surface.

Outer edges of debris discs. How sharp is sharp?

NASA Astrophysics Data System (ADS)

Thébault, P.; Wu, Y.

2008-04-01

Context: Rings or annulus-like features have been observed in most imaged debris discs. Outside the main ring, while some systems (e.g., β Pictoris and AU Mic) exhibit smooth surface brightness profiles (SB) that fall off roughly as ~r-3.5, others (e.g. HR 4796A and HD 139664) display large drops in luminosity at the ring's outer edge and steeper radial luminosity profiles. Aims: We seek to understand this diversity of outer edge profiles under the “natural” collisional evolution of the system, without invoking external agents such as planets or gas. Methods: We use a multi-annulus statistical code to follow the evolution of a collisional population, ranging in size from dust grains to planetesimals and initially confined within a belt (the “birth ring”). The crucial effect of radiation pressure on the dynamics and spatial distribution of the smallest grains is taken into account. We explore the dependence of the resulting disc surface brightness profile on various parameters. Results: The disc typically evolves toward a “standard” steady state, where the radial surface brightness profile smoothly decreases with radius as r-3.5 outside the birth ring. This confirms and extends the semi-analytical study of Strubbe & Chiang (2006, ApJ, 648, 652) and provides a firm basis for interpreting observed discs. Deviations from this typical profile, in the form of a sharp outer edge and a steeper fall-off, occur for two “extreme” cases: 1) when the birth ring is so massive that it becomes radially optically thick for the smallest grains. However, the required disc mass is probably too high here to be realistic; 2) when the dynamical excitation of the dust-producing planetesimals is so low (< e> and < i> ≤ 0.01) that the smallest grains, which otherwise dominate the optical depth of the system, are preferentially depleted. This low-excitation case, although possibly not generic, cannot be ruled out by observations for most systems, . Conclusions: Our “standard” profile provides a satisfactory explanation for a large group of debris discs that show smooth outer edges and SB ∝ r-3.5. Systems with sharper outer edges, barring other confining agents, could still be explained by “natural” collisional evolution if their dynamical excitation is very low. We show that such a dynamically-cold case provides a satisfactory fit to the specific HR4796A ring.

Edge Delamination of Monolayer Transition Metal Dichalcogenides.

PubMed

Ly, Thuc Hue; Yun, Seok Joon; Thi, Quoc Huy; Zhao, Jiong

2017-07-25

Delamination of thin films from the supportive substrates is a critical issue within the thin film industry. The emergent two-dimensional, atomic layered materials, including transition metal dichalcogenides, are highly flexible; thus buckles and wrinkles can be easily generated and play vital roles in the corresponding physical properties. Here we introduce one kind of patterned buckling behavior caused by the delamination from a substrate initiated at the edges of the chemical vapor deposition synthesized monolayer transition metal dichalcogenides, led by thermal expansion mismatch. The atomic force microscopy and optical characterizations clearly showed the puckered structures associated with the strain, whereas the transmission electron microscopy revealed the special sawtooth-shaped edges, which break the geometrical symmetry for the buckling behavior of hexagonal samples. The condition of the edge delamination is in accordance with the fracture behavior of thin film interfaces. This edge delamination and buckling process is universal for most ultrathin two-dimensional materials, which requires more attention in various future applications.

Orbital Magnetization of Quantum Spin Hall Insulator Nanoparticles.

PubMed

Potasz, P; Fernández-Rossier, J

2015-09-09

Both spin and orbital degrees of freedom contribute to the magnetic moment of isolated atoms. However, when inserted in crystals, atomic orbital moments are quenched because of the lack of rotational symmetry that protects them when isolated. Thus, the dominant contribution to the magnetization of magnetic materials comes from electronic spin. Here we show that nanoislands of quantum spin Hall insulators can host robust orbital edge magnetism whenever their highest occupied Kramers doublet is singly occupied, upgrading the spin edge current into a charge current. The resulting orbital magnetization scales linearly with size, outweighing the spin contribution for islands of a few nm in size. This linear scaling is specific of the Dirac edge states and very different from Schrodinger electrons in quantum rings. By modeling Bi(111) flakes, whose edge states have been recently observed, we show that orbital magnetization is robust with respect to disorder, thermal agitation, shape of the island, and crystallographic direction of the edges, reflecting its topological protection.

First-principles investigation of armchair boron nitride nanoribbons for sensing PH3 gas molecules

NASA Astrophysics Data System (ADS)

Srivastava, Pankaj; Jaiswal, Neeraj K.; Sharma, Varun

2014-09-01

The present work exhibits density functional theory (DFT) based first-principles calculations to explore the sensing properties of bare armchair boron nitride nanoribbons (ABNNR) for PH3 gas molecules. Edges of the ribbon were considered as the sites of possible adsorption with two different configurations i.e. adsorption at one edge and adsorption at both edges of the ribbon. It is revealed that B atoms of the ribbons are more energetically favorable sites for the adsorption of PH3 molecules as compared with N atoms. The adsorption of PH3 affects the electronic properties of nanoribbons. One edge PH3 adsorbed ribbons are metallic whereas in both edges PH3 adsorption, the band gap is decreased than that of bare ribbon. The changes in electronic properties caused by PH3 adsorption are further supported by the current-voltage (I-V) characteristics of the considered configurations. The results show that ABNNR can serve as a potential candidate for PH3 sensing applications.

MoS2 edges and heterophase interfaces: energy, structure and phase engineering

NASA Astrophysics Data System (ADS)

Zhou, Songsong; Han, Jian; Sun, Jianwei; Srolovitz, David J.

2017-06-01

The transition metal dichalcogenides exhibit polymorphism; i.e. both 2H and 1T‧ crystal structures, each with unique electronic properties. These two phases can coexist within the same monolayer microstructure, producing 2H/1T‧ interfaces. Here we report a systematic investigation of the energetics of the experimentally most important MoS2 heterophase interfaces and edges. The stable interface and edge structures change with chemical potential (these edges/interfaces are usually non-stoichiometric). Stable edges tend to be those of highest atomic density and the stable interfaces correspond to those with local atomic structure very similar to the 2H crystal. The interfacial energies are lower than those of the edges, and the 1T‧ edges have lower energy than the 2H edges. Because the 1T‧ edges have much lower energy than the 2H edges, a sufficiently narrow 1T‧ ribbon will be more stable than the corresponding 2H ribbon (this critical width is much larger in MoTe2 than in MoS2). Similarly, a large 2H flake have an equilibrium strip of 1T‧ along its edge (again this effect is much larger in MoTe2 than in MoS2). Application of tensile strains can increase the width of the stable 1T‧ strip or the critical thickness below which a ribbon favors the 1T‧ structure. These effects provide a means to phase engineer transition metal dichalcogenide microstructures.

Predicting 2D target velocity cannot help 2D motion integration for smooth pursuit initiation.

PubMed

Montagnini, Anna; Spering, Miriam; Masson, Guillaume S

2006-12-01

Smooth pursuit eye movements reflect the temporal dynamics of bidimensional (2D) visual motion integration. When tracking a single, tilted line, initial pursuit direction is biased toward unidimensional (1D) edge motion signals, which are orthogonal to the line orientation. Over 200 ms, tracking direction is slowly corrected to finally match the 2D object motion during steady-state pursuit. We now show that repetition of line orientation and/or motion direction does not eliminate the transient tracking direction error nor change the time course of pursuit correction. Nonetheless, multiple successive presentations of a single orientation/direction condition elicit robust anticipatory pursuit eye movements that always go in the 2D object motion direction not the 1D edge motion direction. These results demonstrate that predictive signals about target motion cannot be used for an efficient integration of ambiguous velocity signals at pursuit initiation.

Single image super-resolution via an iterative reproducing kernel Hilbert space method.

PubMed

Deng, Liang-Jian; Guo, Weihong; Huang, Ting-Zhu

2016-11-01

Image super-resolution, a process to enhance image resolution, has important applications in satellite imaging, high definition television, medical imaging, etc. Many existing approaches use multiple low-resolution images to recover one high-resolution image. In this paper, we present an iterative scheme to solve single image super-resolution problems. It recovers a high quality high-resolution image from solely one low-resolution image without using a training data set. We solve the problem from image intensity function estimation perspective and assume the image contains smooth and edge components. We model the smooth components of an image using a thin-plate reproducing kernel Hilbert space (RKHS) and the edges using approximated Heaviside functions. The proposed method is applied to image patches, aiming to reduce computation and storage. Visual and quantitative comparisons with some competitive approaches show the effectiveness of the proposed method.

Tunable electronic properties of CdS nanoribbons by edge effects

NASA Astrophysics Data System (ADS)

Ma, Ruican; Zhao, Hui; Wang, Yaping; Ji, Weixiao; Li, Ping

2017-08-01

Based on first-principles calculations, the electronic properties of Cadmium Sulfide nanoribbons (CdSNRs) have been studied with both zigzag (Z-CdSNRs) and armchair shaped edges (A-CdSNRs). For Z-CdSNRs, the structures with both edges decorated by H or F atoms show half-metallic or semiconducting properties, respectively. Only S-dominated edge decorated by H/F atoms, Z-CdSNRs show metallic properties. Only Cd-dominated edge is hydrogenated, Z-CdSNRs can be observed from a metallic to half metallic transition. But instead of fluorinated, the structures show the metallic properties. However, either edge or both edges are hydrogenated or fluorinated, A-CdSNRs exhibit semiconducting properties, and their band gap decreases monotonically with increasing ribbons width (n). When a stress is applied on the half-hydrogenated A-CdSNRs, their band gap displays a steady decrease trend. Moreover, A-CdSNRs are more stable than Z-CdSNRs, while the hydrogenated systems are more stable than fluorinated systems. The results show that different structures of CdSNRs decorated with the different edges can play different nature as semiconducting - half-metallic - metallic properties. The research has important theoretical significance for the electronic design and assembly of CdSNRs structures, and provides a new perspective for the potential application of CdSNRs in nanoelectronics.

Swarm Intelligence for Optimizing Hybridized Smoothing Filter in Image Edge Enhancement

NASA Astrophysics Data System (ADS)

Rao, B. Tirumala; Dehuri, S.; Dileep, M.; Vindhya, A.

In this modern era, image transmission and processing plays a major role. It would be impossible to retrieve information from satellite and medical images without the help of image processing techniques. Edge enhancement is an image processing step that enhances the edge contrast of an image or video in an attempt to improve its acutance. Edges are the representations of the discontinuities of image intensity functions. For processing these discontinuities in an image, a good edge enhancement technique is essential. The proposed work uses a new idea for edge enhancement using hybridized smoothening filters and we introduce a promising technique of obtaining best hybrid filter using swarm algorithms (Artificial Bee Colony (ABC), Particle Swarm Optimization (PSO) and Ant Colony Optimization (ACO)) to search for an optimal sequence of filters from among a set of rather simple, representative image processing filters. This paper deals with the analysis of the swarm intelligence techniques through the combination of hybrid filters generated by these algorithms for image edge enhancement.

Effect of leading-edge roughness on stability and transition of wind turbine blades

NASA Astrophysics Data System (ADS)

Kutz, Douglas; Freels, Justin; Hidore, John; White, Edward

2011-11-01

Over time, wind turbine blades erode due to impacts with sand and other debris. The resulting surface roughness degrades the blades' aerodynamic performance. Experimental studies conducted at the Texas A&M University Low-Speed Wind Tunnel examine roughness effects using a 2D NACA 63-418 airfoil with interchangeable leading edges of varying roughness at chord Reynolds numbers up to 3 . 0 ×106 . These data reveal decreased CL , max and increased CD , min as roughness increases. At very high roughness levels, even the lift curve slope is reduced. To better understand these findings and improve modeling of roughness effects, extensive boundary layer measurements including surface-mounted hotfilms and boundary-layer velocity profiles are used to assess how laminar-to-turbulent transition is promoted by roughness. As expected, roughness accelerates transition. Tollmien-Schlichting (TS) transition is observed only for a smooth leading edge while bypass transition is observed for the moderate and high roughness levels. Results are compared to N-factor transition predictions generated with software used by the wind industry. Predictions are successful for the smooth leading edge but even the low roughness level prevents correct transition prediction using TS-based methods. Support for this work by Vestas Technology Americas, Inc., is gratefully acknowledged as is the support of the wind-energy research group and the Low-Speed Wind Tunnel staff.

Comparison of photon attenuation coefficients (2-150 KeV) for diagnostic imaging simulations

NASA Astrophysics Data System (ADS)

Dodge, Charles W., III; Flynn, Michael J.

2004-05-01

The Radiology Research Laboratory at the Henry Ford Hospital has been involved in modeling x-ray units in order to predict image quality. A critical part of that modeling process is the accurate choice of interaction coefficients. This paper serves as a review and comparison of existing interaction models. Our objective was to obtain accurate and easily calculated interaction coefficients, at diagnostically relevant energies. We obtained data from: McMaster, Lawrence Berkeley Lab data (LBL), XCOM and FFAST Data from NIST, and the EPDL-97 database via LLNL. Our studies involve low energy photons; therefore, comparisons were limited to Coherent (Rayleigh), Incoherent (Compton) and Photoelectric effects, which were summed to determine a total interaction cross section. Without measured data, it becomes difficult to definitively choose the most accurate method. However, known limitations in the McMaster data and smoothing of photo-edge transitions can be used as a guide to establish more valid approaches. Each method was compared to one another graphically and at individual points. We found that agreement between all methods was excellent when away from photo-edges. Near photo-edges and at low energies, most methods were less accurate. Only the Chanter (FFAST) data seems to have consistently and accurately predicted the placement of edges (through M-shell), while minimizing smoothing errors. The EPDL-97 data by LLNL was the best over method in predicting coherent and incoherent cross sections.

Energy functions for regularization algorithms

NASA Technical Reports Server (NTRS)

Delingette, H.; Hebert, M.; Ikeuchi, K.

1991-01-01

Regularization techniques are widely used for inverse problem solving in computer vision such as surface reconstruction, edge detection, or optical flow estimation. Energy functions used for regularization algorithms measure how smooth a curve or surface is, and to render acceptable solutions these energies must verify certain properties such as invariance with Euclidean transformations or invariance with parameterization. The notion of smoothness energy is extended here to the notion of a differential stabilizer, and it is shown that to void the systematic underestimation of undercurvature for planar curve fitting, it is necessary that circles be the curves of maximum smoothness. A set of stabilizers is proposed that meet this condition as well as invariance with rotation and parameterization.

Dimer formation and surface alloying: a STM study of lead on Cu(211)

NASA Astrophysics Data System (ADS)

Bartels, L.; Zöphel, S.; Meyer, G.; Henze, E.; Rieder, K.-H.

1997-02-01

We present a STM investigation of Pb adsorption on the Cu(211) surface in the temperature range between 30 K and room temperature. We observe three different kinds of ordered 1D Pb and PbCu chains (nanowires) located at the intrinsic step edges of the Cu(211) surface. On room temperature prepared samples, Pb is found to be incorporated into the step edges of the (211) surface. The first ordered structure consists of CuPb chains at the step edges (p(2 × disorder)) and is followed with increasing coverage by a close packed row of Pb-atoms (p(4 × disorder)). Preparation at low temperature yields Pb-dimers, and the first ordered structure is a row of Pb-dimers at the step edge (p(3 × disorder)) followed with increased coverage by a structure as described above. By systematic manipulation with the tunneling tip, we could get additional insight into the structural elements of the PbCu layer on the atomic scale. Furthermore, by measuring the threshold resistance to detach atoms from different ad-sites, we can approximately determine the binding energy and gain some insight into the thermodynamical parameters involved.

Research directed toward improved echelles for the ultraviolet. [large space teslescope spectrographs

NASA Technical Reports Server (NTRS)

1977-01-01

Low frequency gratings obtainable with present technology, can meet the grating-efficiency design goals for potential space telescope spectrographs. Gratings made with changes in the three specific parameters: the ruling tool profile, the coating material, and the lubricants used during the ruling process were compared. A series of coatings and test gratings were fabricated and were examined for surface smoothness with a Nomarski differential interference microscope and an electron microsocope. Photomicrographs were obtained to show the difference in smoothness of the various coatings and rulings. Efficiency measurements were made for those test rulings that showed good groove characteristics: smoothness, proper ruling depth, and absence of defects (e.g., streaks, feathered edges and rough sides). Higher grating efficiency should be correlated with the degree of smoothness of both the coating and the grating groove.

Anomalous Insulator-Metal Transition in Boron Nitride-Graphene Hybrid Atomic Layers

DTIC Science & Technology

2012-08-13

REPORT Anomalous insulator-metal transition in boron nitride-graphene hybrid atomic layers 14 . ABSTRACT 16. SECURITY CLASSIFICATION OF: The study of...from the DFT calculation. The calculated transmission through a N terminated zigzag edged h-BN nanodomain embedded in graphene is shown in Fig. 14 , with...Energy ε − ε F (eV) 0 0.5 1 1.5 2 Tr an sm is si on FIG. 14 . (Color online) Transmission through a N terminated zigzag edged h-BN nanodomain embedded in

DOE Office of Scientific and Technical Information (OSTI.GOV)

Verzhbitskiy, Ivan A.; Corato, Marzio De; Ruini, Alice

Bottom-up approaches allow the production of ultranarrow and atomically precise graphene nanoribbons (GNRs) with electronic and optical properties controlled by the specific atomic structure. Combining Raman spectroscopy and ab initio simulations, we show that GNR width, edge geometry, and functional groups all influence their Raman spectra. As a result, the low-energy spectral region below 1000 cm –1 is particularly sensitive to edge morphology and functionalization, while the D peak dispersion can be used to uniquely fingerprint the presence of GNRs and differentiates them from other sp 2 carbon nanostructures.

Modifying Ship Air-Wake Vortices for Aircraft Operations

NASA Technical Reports Server (NTRS)

Lamar, John E.

2004-01-01

Columnar-vortex generators (CVG) have been proposed as means to increase the safety of takeoffs and landings of aircraft on aircraft or helicopter carriers and other ships at sea. According to the proposal, CVGs would be installed at critical edge locations on ships to modify the vortices in the air wakes of the ships. The desired effects of modifications are to smooth airflows over takeoff and landing deck areas and divert vortices from takeoff and landing flight paths. With respect to aircraft operations, the wake flows of primary interest are those associated with the bow and side edges of aircraft-carrier decks and with superstructures of ships in general (see Figure 1). The bow and deck-edge vortices can adversely affect airplane and helicopter operations on carriers, while the superstructure wakes can primarily affect operations of helicopters. The concept of the CVG is not new; what is new is the proposed addition of CVGs to ship structures to effect favorable modifications of air wakes. Figure 2 depicts a basic CVG, vertical and horizontal CVGs installed on a simple superstructure, and horizontal CVGs installed on the bow and deck edges. The vertical CVGs would be closed at the deck but open at the top. Each horizontal CVG would be open at both ends. The dimensions of the CVGs installed on the aft edges of the superstructure would be chosen so that the portion of the flow modified by the vertical CVGs would interact synergistically with the portion of the flow modified by the horizontal CVG to move the air wake away from the takeoff-and-landing zone behind the superstructure. The deck-edge CVGs would be mounted flush with, and would extend slightly ahead of the bow of, the flight deck. The overall length of each tube would exceed that of the flight deck. Each deck-edge CVG would capture that portion of the airflow that generates a deck-edge vortex and would generate a columnar vortex of opposite sense to that of the unmodified vortex. The vortex generated by the CVG could be dispersed at its base, thereby removing unwanted turbulence in the path of an approaching airplane. The deck-edge CVGs would promote smooth flow over the entire flight deck. In the case of a Nimitz-class aircraft carrier like that of Figure 1, there would be a CVG on each of the outer edges of the two left portions of the flight deck and a single CVG on the right side of the flight deck. The forward-most CVG on the left side would take the generated vortex underneath the angled flight deck. A CVG could also be installed on the bow of the flight deck to smooth the flow of air onto the flight deck. In the case of wind incident on the deck from an azimuth other than straight ahead, the vortex generated by the bow CVG could, perhaps, be used to feed the CVG(s) of the leeward side edge of the flight deck.

Aerodynamics of a translating comb-like plate inspired by a fairyfly wing

NASA Astrophysics Data System (ADS)

Lee, Seung Hun; Kim, Daegyoum

2017-08-01

Unlike the smooth wings of common insects or birds, micro-scale insects such as the fairyfly have a distinctive wing geometry, comprising a frame with several bristles. Motivated by this peculiar wing geometry, we experimentally investigated the flow structure of a translating comb-like wing for a wide range of gap size, angle of attack, and Reynolds number, Re = O(10) - O(103), and the correlation of these parameters with aerodynamic performance. The flow structures of a smooth plate without a gap and a comb-like plate are significantly different at high Reynolds number, while little difference was observed at the low Reynolds number of O(10). At low Reynolds number, shear layers that were generated at the edges of the tooth of the comb-like plate strongly diffuse and eventually block a gap. This gap blockage increases the effective surface area of the plate and alters the formation of leading-edge and trailing-edge vortices. As a result, the comb-like plate generates larger aerodynamic force per unit area than the smooth plate. In addition to a quasi-steady phase after the comb-like plate travels several chords, we also studied a starting phase of the shear layer development when the comb-like plate begins to translate from rest. While a plate with small gap size can generate aerodynamic force at the starting phase as effectively as at the quasi-steady phase, the aerodynamic force drops noticeably for a plate with a large gap because the diffusion of the developing shear layers is not enough to block the gap.

Summary of past experience in natural laminar flow and experimental program for resilient leading edge

NASA Technical Reports Server (NTRS)

Carmichael, B. H.

1979-01-01

The potential of natural laminar flow for significant drag reduction and improved efficiency for aircraft is assessed. Past experience with natural laminar flow as reported in published and unpublished data and personal observations of various researchers is summarized. Aspects discussed include surface contour, waviness, and smoothness requirements; noise and vibration effects on boundary layer transition, boundary layer stability criteria; flight experience with natural laminar flow and suction stabilized boundary layers; and propeller slipstream, rain, frost, ice and insect contamination effects on boundary layer transition. The resilient leading edge appears to be a very promising method to prevent leading edge insect contamination.

Investigation into Behavior of a Steam-Water Mixture Flow Through Holes in a Submerged Perforated Sheet at High Void Fractions

NASA Astrophysics Data System (ADS)

Melikhov, V. I.; Melikhov, O. I.; Nerovnov, A. A.; Nikonov, S. M.

2018-01-01

Processing of experimental data on the pressure difference across a submerged perforated sheet (SPS) revealed that, at sufficiently high void fractions under SPS, the pressure difference across it became less than the pressure difference for the pure steam stream with the same flowrate. To find the cause of this, the effect of a liquid film, which can be formed on the SPS upstream surface as a result of water droplets' impact and can smooth over sharp edges of holes in SDS, was examined. This can decrease the pressure drop across the sharp edges of holes. This assumption was checked through numerical solution to several model problems in the axisymmetric formulation for a steam flow in a round pipe with an orifice. The flow of steam and water was modeled using the viscous incompressible liquid approximation, while the turbulence was described by the k-ɛ model. The evolution of the interfacial area was modeled using the VOF model. The following model problems of steam flow through an orifice were studied: a single-phase flow, a flow through the orifice with a liquid film on its upstream surface, a flow through a chamfered hole, and a flow through the orifice with a liquid film on its upstream surface without liquid supply to the film. The predictions demonstrate that even the approximate account of the liquid film effect on the steam flow yields a considerable decrease in the pressure drop across the hole (from 8 to 24%) due to smoothing its sharp outlet edges over. This makes it possible to make a conclusion that the cause of a decrease in the pressure drop across SPS observed in the experiments at high void fractions is the formation of a liquid film, which smooths the sharp edges of the hole.

Atomic friction at exposed and buried graphite step edges: Experiments and simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ye, Zhijiang; Martini, Ashlie, E-mail: amartini@ucmerced.edu

2015-06-08

The surfaces of layered materials such as graphite exhibit step edges that affect friction. Step edges can be exposed, where the step occurs at the outmost layer, or buried, where the step is underneath another layer of material. Here, we study friction at exposed and buried step edges on graphite using an atomic force microscope (AFM) and complementary molecular dynamics simulations of the AFM tip apex. Exposed and buried steps exhibit distinct friction behavior, and the friction on either step is affected by the direction of sliding, i.e., moving up or down the step, and the bluntness of the tip.more » These trends are analyzing in terms of the trajectory of the AFM tip as it moves over the step, which is a convolution of the topography of the surface and the tip shape.« less

Influence of quantum effects on the parameters of a cold cathode with carbon nanotubes

NASA Astrophysics Data System (ADS)

Glukhova, O. E.; Kolesnikova, A. S.; Slepchenkov, M. M.

2016-01-01

We consider the effect of an external electric field on the parameters of a cold cathode on carbon nanotubes using the quantum-mechanical approach to the description of the interaction of the field with the atomic structure of nanoemitters. It is established for the first time that an increase in the length of the emitting edge of the tube in a field of 10-11 V/nm increases the field emission current of electrons by 3-10%. It is found that in a field of 11 V/nm and higher, atoms of the upper edge of a carbon nanotube are detached with the subsequent destruction of the atomic core.

Local atomic and electronic structures of epitaxial strained LaCoO3 thin films

NASA Astrophysics Data System (ADS)

Sterbinsky, G. E.; Ryan, P. J.; Kim, J.-W.; Karapetrova, E.; Ma, J. X.; Shi, J.; Woicik, J. C.

2012-01-01

We have examined the atomic and electronic structures of perovskite lanthanum cobaltite (LaCoO3) thin films using Co K-edge x-ray absorption fine structure (XAFS) spectroscopy. Extended XAFS (EXAFS) demonstrates that a large difference between in-plane and out-of-plane Co-O bond lengths results from tetragonal distortion in highly strained films. The structural distortions are strongly coupled to the hybridization between atomic orbitals of the Co and O atoms, as shown by x-ray absorption near edge spectroscopy (XANES). Our results indicate that increased hybridization is not the cause of ferromagnetism in strained LaCoO3 films. Instead, we suggest that the strain-induced distortions of the oxygen octahedra increase the population of eg electrons and concurrently depopulate t2g electrons beyond a stabilization threshold for ferromagnetic order.

Structural, electronic and magnetic properties of carbon doped boron nitride nanowire: Ab initio study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jalilian, Jaafar, E-mail: JaafarJalilian@gmail.com; Kanjouri, Faramarz, E-mail: kanjouri@khu.ac.ir

2016-11-15

Using spin-polarized density functional theory calculations, we demonstrated that carbon doped boron nitride nanowire (C-doped BNNW) has diverse electronic and magnetic properties depending on position of carbon atoms and their percentages. Our results show that only when one carbon atom is situated on the edge of the nanowire, C-doped BNNW is transformed into half-metal. The calculated electronic structure of the C-doped BNNW suggests that doping carbon can induce localized edge states around the Fermi level, and the interaction among localized edge states leads to semiconductor to half-metal transition. Overall, the bond reconstruction causes of appearance of different electronic behavior suchmore » as semiconducting, half-metallicity, nonmagnetic metallic, and ferromagnetic metallic characters. The formation energy of the system shows that when a C atom is doped on surface boron site, system is more stable than the other positions of carbon impurity. Our calculations show that C-doped BNNW may offer unique opportunities for developing nanoscale spintronic materials.« less

Atom-optics knife-edge: Measuring sub-nanokelvin momentum distributions

NASA Astrophysics Data System (ADS)

Ramos, Ramon; Spierings, David; Steinberg, Aephraim

2017-04-01

Temperatures below 1 nanokelvin have been achieved in the recent years, enabling new classes of experiments which benefit from the resulting long coherence times. This achievement comes hand in hand with the challenge of measuring such low temperatures. By employing the equivalent of a knife-edge measurement for matter-waves, we have been able to characterize ultra-low momentum widths. We measured a momentum width corresponding to an effective temperature of 900 +/- 200 pK, only limited by our cooling performance. We show that this technique compares favourably with more traditional methods, which would require expansion times of 100's of ms or frequency stability of 10's of Hz. Finally, we show that the effective knife-edge, created by a potential barrier, begins to become ''blunt'' due to tunneling for thin barriers, and we obtain quantitative agreement with a theoretical model. This method is a useful tool for atomic interferometry and other areas in ultracold atoms where a robust and precise technique for characterizing the momentum distribution is required.

An efficient depth map preprocessing method based on structure-aided domain transform smoothing for 3D view generation

PubMed Central

Ma, Liyan; Qiu, Bo; Cui, Mingyue; Ding, Jianwei

2017-01-01

Depth image-based rendering (DIBR), which is used to render virtual views with a color image and the corresponding depth map, is one of the key techniques in the 2D to 3D conversion process. Due to the absence of knowledge about the 3D structure of a scene and its corresponding texture, DIBR in the 2D to 3D conversion process, inevitably leads to holes in the resulting 3D image as a result of newly-exposed areas. In this paper, we proposed a structure-aided depth map preprocessing framework in the transformed domain, which is inspired by recently proposed domain transform for its low complexity and high efficiency. Firstly, our framework integrates hybrid constraints including scene structure, edge consistency and visual saliency information in the transformed domain to improve the performance of depth map preprocess in an implicit way. Then, adaptive smooth localization is cooperated and realized in the proposed framework to further reduce over-smoothness and enhance optimization in the non-hole regions. Different from the other similar methods, the proposed method can simultaneously achieve the effects of hole filling, edge correction and local smoothing for typical depth maps in a united framework. Thanks to these advantages, it can yield visually satisfactory results with less computational complexity for high quality 2D to 3D conversion. Numerical experimental results demonstrate the excellent performances of the proposed method. PMID:28407027

Size effect, critical resolved shear stress, stacking fault energy, and solid solution strengthening in the CrMnFeCoNi high-entropy alloy.

PubMed

Okamoto, Norihiko L; Fujimoto, Shu; Kambara, Yuki; Kawamura, Marino; Chen, Zhenghao M T; Matsunoshita, Hirotaka; Tanaka, Katsushi; Inui, Haruyuki; George, Easo P

2016-10-24

High-entropy alloys (HEAs) comprise a novel class of scientifically and technologically interesting materials. Among these, equatomic CrMnFeCoNi with the face-centered cubic (FCC) structure is noteworthy because its ductility and strength increase with decreasing temperature while maintaining outstanding fracture toughness at cryogenic temperatures. Here we report for the first time by single-crystal micropillar compression that its bulk room temperature critical resolved shear stress (CRSS) is ~33-43 MPa, ~10 times higher than that of pure nickel. CRSS depends on pillar size with an inverse power-law scaling exponent of -0.63 independent of orientation. Planar ½ < 110 > {111} dislocations dissociate into Shockley partials whose separations range from ~3.5-4.5 nm near the screw orientation to ~5-8 nm near the edge, yielding a stacking fault energy of 30 ± 5 mJ/m 2 . Dislocations are smoothly curved without any preferred line orientation indicating no significant anisotropy in mobilities of edge and screw segments. The shear-modulus-normalized CRSS of the HEA is not exceptionally high compared to those of certain concentrated binary FCC solid solutions. Its rough magnitude calculated using the Fleischer/Labusch models corresponds to that of a hypothetical binary with the elastic constants of our HEA, solute concentrations of 20-50 at.%, and atomic size misfit of ~4%.

Size effect, critical resolved shear stress, stacking fault energy, and solid solution strengthening in the CrMnFeCoNi high-entropy alloy

PubMed Central

Okamoto, Norihiko L.; Fujimoto, Shu; Kambara, Yuki; Kawamura, Marino; Chen, Zhenghao M. T.; Matsunoshita, Hirotaka; Tanaka, Katsushi; Inui, Haruyuki; George, Easo P.

2016-01-01

High-entropy alloys (HEAs) comprise a novel class of scientifically and technologically interesting materials. Among these, equatomic CrMnFeCoNi with the face-centered cubic (FCC) structure is noteworthy because its ductility and strength increase with decreasing temperature while maintaining outstanding fracture toughness at cryogenic temperatures. Here we report for the first time by single-crystal micropillar compression that its bulk room temperature critical resolved shear stress (CRSS) is ~33–43 MPa, ~10 times higher than that of pure nickel. CRSS depends on pillar size with an inverse power-law scaling exponent of –0.63 independent of orientation. Planar ½ < 110 > {111} dislocations dissociate into Shockley partials whose separations range from ~3.5–4.5 nm near the screw orientation to ~5–8 nm near the edge, yielding a stacking fault energy of 30 ± 5 mJ/m2. Dislocations are smoothly curved without any preferred line orientation indicating no significant anisotropy in mobilities of edge and screw segments. The shear-modulus-normalized CRSS of the HEA is not exceptionally high compared to those of certain concentrated binary FCC solid solutions. Its rough magnitude calculated using the Fleischer/Labusch models corresponds to that of a hypothetical binary with the elastic constants of our HEA, solute concentrations of 20–50 at.%, and atomic size misfit of ~4%. PMID:27775026

Preprocessing of SAR interferometric data using anisotropic diffusion filter

NASA Astrophysics Data System (ADS)

Sartor, Kenneth; Allen, Josef De Vaughn; Ganthier, Emile; Tenali, Gnana Bhaskar

2007-04-01

The most commonly used smoothing algorithms for complex data processing are blurring functions (i.e., Hanning, Taylor weighting, Gaussian, etc.). Unfortunately, the filters so designed blur the edges in a Synthetic Aperture Radar (SAR) scene, reduce the accuracy of features, and blur the fringe lines in an interferogram. For the Digital Surface Map (DSM) extraction, the blurring of these fringe lines causes inaccuracies in the height of the unwrapped terrain surface. Our goal here is to perform spatially non-uniform smoothing to overcome the above mentioned disadvantages. This is achieved by using a Complex Anisotropic Non-Linear Diffuser (CANDI) filter that is a spatially varying. In particular, an appropriate choice of the convection function in the CANDI filter is able to accomplish the non-uniform smoothing. This boundary sharpening intra-region smoothing filter acts on interferometric SAR (IFSAR) data with noise to produce an interferogram with significantly reduced noise contents and desirable local smoothing. Results of CANDI filtering will be discussed and compared with those obtained by using the standard filters on simulated data.

A Pragmatic Smoothing Method for Improving the Quality of the Results in Atomic Spectroscopy

NASA Astrophysics Data System (ADS)

Bennun, Leonardo

2017-07-01

A new smoothing method for the improvement on the identification and quantification of spectral functions based on the previous knowledge of the signals that are expected to be quantified, is presented. These signals are used as weighted coefficients in the smoothing algorithm. This smoothing method was conceived to be applied in atomic and nuclear spectroscopies preferably to these techniques where net counts are proportional to acquisition time, such as particle induced X-ray emission (PIXE) and other X-ray fluorescence spectroscopic methods, etc. This algorithm, when properly applied, does not distort the form nor the intensity of the signal, so it is well suited for all kind of spectroscopic techniques. This method is extremely effective at reducing high-frequency noise in the signal much more efficient than a single rectangular smooth of the same width. As all of smoothing techniques, the proposed method improves the precision of the results, but in this case we found also a systematic improvement on the accuracy of the results. We still have to evaluate the improvement on the quality of the results when this method is applied over real experimental results. We expect better characterization of the net area quantification of the peaks, and smaller Detection and Quantification Limits. We have applied this method to signals that obey Poisson statistics, but with the same ideas and criteria, it could be applied to time series. In a general case, when this algorithm is applied over experimental results, also it would be required that the sought characteristic functions, required for this weighted smoothing method, should be obtained from a system with strong stability. If the sought signals are not perfectly clean, this method should be carefully applied

Time-dependent density-functional theory simulation of local currents in pristine and single-defect zigzag graphene nanoribbons

DOE Office of Scientific and Technical Information (OSTI.GOV)

He, Shenglai, E-mail: shenglai.he@vanderbilt.edu; Russakoff, Arthur; Li, Yonghui

2016-07-21

The spatial current distribution in H-terminated zigzag graphene nanoribbons (ZGNRs) under electrical bias is investigated using time-dependent density-functional theory solved on a real-space grid. A projected complex absorbing potential is used to minimize the effect of reflection at simulation cell boundary. The calculations show that the current flows mainly along the edge atoms in the hydrogen terminated pristine ZGNRs. When a vacancy is introduced to the ZGNRs, loop currents emerge at the ribbon edge due to electrons hopping between carbon atoms of the same sublattice. The loop currents hinder the flow of the edge current, explaining the poor electric conductancemore » observed in recent experiments.« less

Dynamics of interacting edge defects in copolymer lamellae

NASA Astrophysics Data System (ADS)

Dalnoki-Veress, Kari; McGraw, Joshua D.; Rowe, Ian D. W.

2011-03-01

It is known that terraces at the interface of lamella forming diblock copolymers do not make discontinuous jumps in height. Rather, their profiles are smoothly varying. The width of the transition region between two lamellar heights is typically several hundreds of nanometres, resulting from a balance between surface tension, chain stretching penalties, and the enthalpy of mixing. What is less well known in these systems is what happens when two transition regions approach one another. In this study, we show that time dependent experimental data of interacting copolymer lamellar edges is consistent with a model that assumes a repulsion between adjacent edges. The range of the interaction between edge defects is consistent with the profile width of noninteracting diblock terraces. Financial support from NSERC of Canada is gratefully acknowledged.

Temperature dependence of Ti 1s near-edge spectra in Ti-based perovskites: theory and experiment

NASA Astrophysics Data System (ADS)

Shirley, Eric; Cockayne, Eric; Ravel, Bruce; Woicik, Joseph

Ti 1s near-edge spectra (around 4970 eV) in SrTiO3 and PbTiO3 reveal electric-dipole and quadrupole transitions to Ti 3d, 4p and mixed 3d-4p states. Crystal field-split pre-edge features attributed to 1s ->3d transitions are small compared to the main edge jump at the onset of the Ti 4s/4p continuum. Pre-edge and subsequent near-edge features are predicted to be weaker than what is observed, unless one accounts for ferroelectric polarization in PbTiO3 and thermal motion in both compounds. Using density-functional theory molecular dynamics simulations at various temperatures (including sampling two phases of PbTiO3), we capture the statistically averaged root-mean-square deviations of Ti4+ ions from the centers of their oxygen cages. By sampling appropriate snapshots of atomic configurations and averaging Ti 1s absorption spectra computed within a Bethe-Salpeter Equation framework, we obtain absorption spectra that agree well with experiment, including details related to ferroelectric polarization, phase transitions, and fluctuations of atomic coordinates.

Edge profiles in K shell photoabsorption spectra of gaseous hydrides of 3p elements and homologues

NASA Astrophysics Data System (ADS)

Hauko, R.; Gomilšek, J. Padežnik; Kodre, A.; Arčon, I.; Aquilanti, G.

2017-10-01

Photoabsorption spectra of gaseous hydrides of 3p elements (PH3, H2S, HCl) are measured in the energy region of photoexcitations pertaining to K edge. The analysis of the edge profile is extended to hydrides of 4p series (GeH4, AsH3, H2Se, HBr) from an earlier experiment, and to published spectra of 2p hydrides (CH4, NH3, H2O, HF) and noble gases Ar, Kr and Ne and SiH4. The edge profiles are modelled with a linear combination of lorentzian components, describing excitations to individual bound states and to continuum. Transition energies and probabilities are also calculated in the non-relativistic molecular model of the ORCA code, in good agreement with the experiment. Edge profiles in the heavier homologues are closely similar, the symmetry of the molecule governs the transitions to the lowest unoccupied orbitals. In 2p series the effect of the strong nuclear potential prevails. Transitions to higher, atomic-like levels remain very much the same as in free atoms.

Increasing Stability and Activity of Core-Shell Catalysts by Preferential Segregation of Oxide on Edges and Vertexes: Oxygen Reduction on Ti-Au@Pt/C

DOE PAGES

Hu, J.; Wu, L.; Kuttiyiel, K.; ...

2016-06-30

We describe a new class of core-shell nanoparticle catalysts having edges and vertexes covered by refractory metal oxide that preferentially segregates onto these catalyst sites. The monolayer shell is deposited on the oxidefree core atoms. The oxide on edges and vertexes induces high catalyst’s stability and activity. The catalyst and synthesis are exemplified by fabrication of Au nanoparticles doped by Ti atoms that segregate as oxide onto low–coordination sites of edges and vertexes. Pt monolayer shell deposited on Au sites has the mass and specific activities for the oxygen reduction reaction about 13 and 5 times higher than those ofmore » commercial Pt/C catalysts. The durability tests show no activity loss after 10000 potential cycles from 0.6 to 1.0V. The superior activity and durability of the Ti-Au@Pt catalyst originate from protective Ti oxide located at the most dissolution-prone edge and vertex sites, and Au-supported active and stable Pt shell.« less

Adaptive Algorithm for Aircraft Configuration in Turbulent Flow

DTIC Science & Technology

1992-11-25

8217), + a2 (APO) (bUo)),2 + r4 (1 - APO) (bUO), (27) AP is the pressure switch chat is used to turn the shock smoothing and the background smoothing on at...the appropriate regions. For any node 0, the pressure switch is computed as (APo)= E𔃻=1 (PN()- PO) (28) zF:,’ + PO) the summation is over all the edges...that share the node 0. The pressure switch is normalized by the maximum value over the domain so that 0 < AP < 1. When evaluated as above, AP has a

Parallel algorithms for the molecular conformation problem

NASA Astrophysics Data System (ADS)

Rajan, Kumar

Given a set of objects, and some of the pairwise distances between them, the problem of identifying the positions of the objects in the Euclidean space is referred to as the molecular conformation problem. This problem is known to be computationally difficult. One of the most important applications of this problem is the determination of the structure of molecules. In the case of molecular structure determination, usually only the lower and upper bounds on some of the interatomic distances are available. The process of obtaining a tighter set of bounds between all pairs of atoms, using the available interatomic distance bounds is referred to as bound-smoothing . One method for bound-smoothing is to use the limits imposed by the triangle inequality. The distance bounds so obtained can often be tightened further by applying the tetrangle inequality---the limits imposed on the six pairwise distances among a set of four atoms (instead of three for the triangle inequalities). The tetrangle inequality is expressed by the Cayley-Menger determinants. The sequential tetrangle-inequality bound-smoothing algorithm considers a quadruple of atoms at a time, and tightens the bounds on each of its six distances. The sequential algorithm is computationally expensive, and its application is limited to molecules with up to a few hundred atoms. Here, we conduct an experimental study of tetrangle-inequality bound-smoothing and reduce the sequential time by identifying the most computationally expensive portions of the process. We also present a simple criterion to determine which of the quadruples of atoms are likely to be tightened the most by tetrangle-inequality bound-smoothing. This test could be used to enhance the applicability of this process to large molecules. We map the problem of parallelizing tetrangle-inequality bound-smoothing to that of generating disjoint packing designs of a certain kind. We map this, in turn, to a regular-graph coloring problem, and present a simple, parallel algorithm for tetrangle-inequality bound-smoothing. We implement the parallel algorithm on the Intel Paragon X/PS, and apply it to real-life molecules. Our results show that with this parallel algorithm, tetrangle inequality can be applied to large molecules in a reasonable amount of time. We extend the regular graph to represent more general packing designs, and present a coloring algorithm for this graph. This can be used to generate constant-weight binary codes in parallel. Once a tighter set of distance bounds is obtained, the molecular conformation problem is usually formulated as a non-linear optimization problem, and a global optimization algorithm is then used to solve the problem. Here we present a parallel, deterministic algorithm for the optimization problem based on Interval Analysis. We implement our algorithm, using dynamic load balancing, on a network of Sun Ultra-Sparc workstations. Our experience with this algorithm shows that its application is limited to small instances of the molecular conformation problem, where the number of measured, pairwise distances is close to the maximum value. However, since the interval method eliminates a substantial portion of the initial search space very quickly, it can be used to prune the search space before any of the more efficient, nondeterministic methods can be applied.

Computer simulation of concentrated solid solution strengthening

NASA Technical Reports Server (NTRS)

Kuo, C. T. K.; Arsenault, R. J.

1976-01-01

The interaction forces between a straight edge dislocation moving through a three-dimensional block containing a random array of solute atoms were determined. The yield stress at 0 K was obtained by determining the average maximum solute-dislocation interaction force that is encountered by edge dislocation, and an expression relating the yield stress to the length of the dislocation and the solute concentration is provided. The magnitude of the solid solution strengthening due to solute atoms can be determined directly from the numerical results, provided the dislocation line length that moves as a unit is specified.

Persistent mobility edges and anomalous quantum diffusion in order-disorder separated quantum films

NASA Astrophysics Data System (ADS)

Zhong, Jianxin; Stocks, G. Malcolm

2007-01-01

A concept of order-disorder separated quantum films is proposed for the design of ultrathin quantum films of a few atomic layers thick with unconventional transport properties. The concept is demonstrated through studying an atomic bilayer comprised of an ordered layer and a disordered layer. Without the disordered layer or the ordered layer, the system is a conducting two-dimensional (2D) crystal or an insulating disordered 2D electron system. Without the order-disorder phase separation, a disordered bilayer is insulating under large disorder. In an order-disorder separated atomic bilayer, however, we show that the system behaves remarkably different from conventional ordered or disordered electron systems, exhibiting metal-insulator transitions with persistent mobility edges and superdiffusive anomalous quantum diffusion.

Coronary Stent Artifact Reduction with an Edge-Enhancing Reconstruction Kernel - A Prospective Cross-Sectional Study with 256-Slice CT.

PubMed

Tan, Stéphanie; Soulez, Gilles; Diez Martinez, Patricia; Larrivée, Sandra; Stevens, Louis-Mathieu; Goussard, Yves; Mansour, Samer; Chartrand-Lefebvre, Carl

2016-01-01

Metallic artifacts can result in an artificial thickening of the coronary stent wall which can significantly impair computed tomography (CT) imaging in patients with coronary stents. The objective of this study is to assess in vivo visualization of coronary stent wall and lumen with an edge-enhancing CT reconstruction kernel, as compared to a standard kernel. This is a prospective cross-sectional study involving the assessment of 71 coronary stents (24 patients), with blinded observers. After 256-slice CT angiography, image reconstruction was done with medium-smooth and edge-enhancing kernels. Stent wall thickness was measured with both orthogonal and circumference methods, averaging thickness from diameter and circumference measurements, respectively. Image quality was assessed quantitatively using objective parameters (noise, signal to noise (SNR) and contrast to noise (CNR) ratios), as well as visually using a 5-point Likert scale. Stent wall thickness was decreased with the edge-enhancing kernel in comparison to the standard kernel, either with the orthogonal (0.97 ± 0.02 versus 1.09 ± 0.03 mm, respectively; p<0.001) or the circumference method (1.13 ± 0.02 versus 1.21 ± 0.02 mm, respectively; p = 0.001). The edge-enhancing kernel generated less overestimation from nominal thickness compared to the standard kernel, both with the orthogonal (0.89 ± 0.19 versus 1.00 ± 0.26 mm, respectively; p<0.001) and the circumference (1.06 ± 0.26 versus 1.13 ± 0.31 mm, respectively; p = 0.005) methods. The edge-enhancing kernel was associated with lower SNR and CNR, as well as higher background noise (all p < 0.001), in comparison to the medium-smooth kernel. Stent visual scores were higher with the edge-enhancing kernel (p<0.001). In vivo 256-slice CT assessment of coronary stents shows that the edge-enhancing CT reconstruction kernel generates thinner stent walls, less overestimation from nominal thickness, and better image quality scores than the standard kernel.

Imaging the atomic structure and local chemistry of platelets in natural type Ia diamond

NASA Astrophysics Data System (ADS)

Olivier, E. J.; Neethling, J. H.; Kroon, R. E.; Naidoo, S. R.; Allen, C. S.; Sawada, H.; van Aken, P. A.; Kirkland, A. I.

2018-03-01

In the past decades, many efforts have been devoted to characterizing {001} platelet defects in type Ia diamond. It is known that N is concentrated at the defect core. However, an accurate description of the atomic structure of the defect and the role that N plays in it is still unknown. Here, by using aberration-corrected transmission electron microscopy and electron energy-loss spectroscopy we have determined the atomic arrangement within platelet defects in a natural type Ia diamond and matched it to a prevalent theoretical model. The platelet has an anisotropic atomic structure with a zigzag ordering of defect pairs along the defect line. The electron energy-loss near-edge fine structure of both carbon K- and nitrogen K-edges obtained from the platelet core is consistent with a trigonal bonding arrangement at interstitial sites. The experimental observations support an interstitial aggregate mode of formation for platelet defects in natural diamond.

Imaging the atomic structure and local chemistry of platelets in natural type Ia diamond.

PubMed

Olivier, E J; Neethling, J H; Kroon, R E; Naidoo, S R; Allen, C S; Sawada, H; van Aken, P A; Kirkland, A I

2018-03-01

In the past decades, many efforts have been devoted to characterizing {001} platelet defects in type Ia diamond. It is known that N is concentrated at the defect core. However, an accurate description of the atomic structure of the defect and the role that N plays in it is still unknown. Here, by using aberration-corrected transmission electron microscopy and electron energy-loss spectroscopy we have determined the atomic arrangement within platelet defects in a natural type Ia diamond and matched it to a prevalent theoretical model. The platelet has an anisotropic atomic structure with a zigzag ordering of defect pairs along the defect line. The electron energy-loss near-edge fine structure of both carbon K- and nitrogen K-edges obtained from the platelet core is consistent with a trigonal bonding arrangement at interstitial sites. The experimental observations support an interstitial aggregate mode of formation for platelet defects in natural diamond.

Oxygen evolution on a SrFeO3 anode - Mechanistic considerations from molecular orbital theory

NASA Technical Reports Server (NTRS)

Mehandru, S. P.; Anderson, Alfred B.

1989-01-01

Various pathways proposed in the literature for the evolution of O2 in electrochemical oxidations are explored using the atom superposition and electron delocalization molecular orbital (ASED-MO) theory and the cluster models of the SrFeO3 surface as a prototype material. Calculations indicate that oxygen atoms can be easily formed on the (100) surface as well as on the edge cation sites of a SrFeO3 anode by the discharge of OH(-), followed by its deprotonation and electron transfer to the electrode. The O atoms can form O2 on the edge and corner sites, where the Fe(4+) is coordinated to four and three bulk oxygen anions, respectively. The calculations strongly disfavor mechanisms involving coupling of oxygen atoms adsorbed on different cations as well as a mechanism featuring an ozone intermediate.

High performance current and spin diode of atomic carbon chain between transversely symmetric ribbon electrodes.

PubMed

Dong, Yao-Jun; Wang, Xue-Feng; Yang, Shuo-Wang; Wu, Xue-Mei

2014-08-21

We demonstrate that giant current and high spin rectification ratios can be achieved in atomic carbon chain devices connected between two symmetric ferromagnetic zigzag-graphene-nanoribbon electrodes. The spin dependent transport simulation is carried out by density functional theory combined with the non-equilibrium Green's function method. It is found that the transverse symmetries of the electronic wave functions in the nanoribbons and the carbon chain are critical to the spin transport modes. In the parallel magnetization configuration of two electrodes, pure spin current is observed in both linear and nonlinear regions. However, in the antiparallel configuration, the spin-up (down) current is prohibited under the positive (negative) voltage bias, which results in a spin rectification ratio of order 10(4). When edge carbon atoms are substituted with boron atoms to suppress the edge magnetization in one of the electrodes, we obtain a diode with current rectification ratio over 10(6).

High performance current and spin diode of atomic carbon chain between transversely symmetric ribbon electrodes

PubMed Central

Dong, Yao-Jun; Wang, Xue-Feng; Yang, Shuo-Wang; Wu, Xue-Mei

2014-01-01

We demonstrate that giant current and high spin rectification ratios can be achieved in atomic carbon chain devices connected between two symmetric ferromagnetic zigzag-graphene-nanoribbon electrodes. The spin dependent transport simulation is carried out by density functional theory combined with the non-equilibrium Green's function method. It is found that the transverse symmetries of the electronic wave functions in the nanoribbons and the carbon chain are critical to the spin transport modes. In the parallel magnetization configuration of two electrodes, pure spin current is observed in both linear and nonlinear regions. However, in the antiparallel configuration, the spin-up (down) current is prohibited under the positive (negative) voltage bias, which results in a spin rectification ratio of order 104. When edge carbon atoms are substituted with boron atoms to suppress the edge magnetization in one of the electrodes, we obtain a diode with current rectification ratio over 106. PMID:25142376

Hα line shape in front of the limiter in the HT-6M tokamak

NASA Astrophysics Data System (ADS)

Wan, Baonian; Li, Jiangang; Luo, Jiarong; Xie, Jikang; Wu, Zhenwei; Zhang, Xianmei; HT-6M Group

1999-11-01

The Hα line shape in front of the limiter in the HT-6M tokamak is analysed by multi-Gaussian fitting. The energy distribution of neutral hydrogen atoms reveals that Hα radiation is contributed by Franck-Condon atoms, atoms reflected at the limiter surface and charge exchange. Multi-Gaussian fitting of the Hα spectral profile indicates contributions of 60% from reflection particles and 40% from molecule dissociation to recycling. Ion temperatures in central regions are obtained from the spectral width of charge exchange components. Dissociation of hydrogen molecules and reflection of particles at the limiter surface are dominant in edge recycling. Reduction of particle reflection at the limiter surface is important for controlling edge recycling. The measured profiles of neutral hydrogen atom density are reproduced by a particle continuity equation and a simplified one dimensional Monte Carlo simulation code.

Local structure study of (In{sub 0.95−x}Fe{sub x}Cu{sub 0.05}){sub 2}O{sub 3} thin films using x-ray absorption spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ren, Yuan; Xing, Yaya; Ma, Guanxiong

2015-07-15

The (In{sub 0.95−x}Fe{sub x}Cu{sub 0.05}){sub 2}O{sub 3} (x = 0.06, 0.08, 0.15, and 0.20) films prepared by RF-magnetron sputtering were investigated by the combination of x-ray absorption spectroscopy (XAS) at Fe, Cu, and O K-edge. Although the Fe and O K-edge XAS spectra show that the Fe atoms substitute for the In sites of In{sub 2}O{sub 3} lattice for all the films, the Cu K-edge XAS spectra reveal that the codoped Cu atoms are separated to form the Cu metal clusters. After being annealed in air, the Fe atoms are still substitutionally incorporated into the In{sub 2}O{sub 3} lattice, while the Cumore » atoms form the CuO secondary phases. With the increase of Fe concentration, the bond length R{sub Fe-O} shortens and the Debye–Waller factor σ{sup 2}{sub Fe-O} increases in the first coordination shell of Fe, which are attributed to the relaxation of oxygen environment around the substitutional Fe ions. The forming of Cu relating secondary phases in the films is due to high ionization energy of Cu atoms, leading that the Cu atoms are energetically much harder to be oxidized to substitute for the In sites of In{sub 2}O{sub 3} lattice than Fe atoms. These results provide new experimental guidance in the preparation of the codoped In{sub 2}O{sub 3} based dilute magnetic oxides.« less

Line-edge quality optimization of electron beam resist for high-throughput character projection exposure utilizing atomic force microscope analysis

NASA Astrophysics Data System (ADS)

Ikeno, Rimon; Mita, Yoshio; Asada, Kunihiro

2017-04-01

High-throughput electron-beam lithography (EBL) by character projection (CP) and variable-shaped beam (VSB) methods is a promising technique for low-to-medium volume device fabrication with regularly arranged layouts, such as standard-cell logics and memory arrays. However, non-VLSI applications like MEMS and MOEMS may not fully utilize the benefits of CP method due to their wide variety of layout figures including curved and oblique edges. In addition, the stepwise shapes that appear on such irregular edges by VSB exposure often result in intolerable edge roughness, which may degrade performances of the fabricated devices. In our former study, we proposed a general EBL methodology for such applications utilizing a combination of CP and VSB methods, and demonstrated its capabilities in electron beam (EB) shot reduction and edge-quality improvement by using a leading-edge EB exposure tool, ADVANTEST F7000S-VD02, and high-resolution Hydrogen Silsesquioxane resist. Both scanning electron microscope and atomic force microscope observations were used to analyze quality of the resist edge profiles to determine the influence of the control parameters used in the exposure-data preparation process. In this study, we carried out detailed analysis of the captured edge profiles utilizing Fourier analysis, and successfully distinguish the systematic undulation by the exposed CP character profiles from random roughness components. Such capability of precise edge-roughness analysis is useful to our EBL methodology to maintain both the line-edge quality and the exposure throughput by optimizing the control parameters in the layout data conversion.

Structure and development of the Southeast Georgia Embayment and northern Blake Plateau: Preliminary analysis

USGS Publications Warehouse

Dillon, William P.; Paull, Charles K.; Buffler, Richard T.; Fail, Jean-Pierre

1979-01-01

Multichannel seismic reflection profiles from the Southeast Georgia Embayment and northern Blake Plateau show reflectors that have been correlated tentatively with horizons of known age. The top of the Cretaceous extends smoothly seaward beneath the continental shelf and Blake Plateau, unaffected at the present shelf edge. A reflector inferred to correspond approximately to the top of the Jurassic section onlaps and pinches out against rocks below. A widespread smooth reflector probably represents a volcanic layer of Early Jurassic age that underlies only the northwestern part of the research area. A major unconformity beneath the inferred volcanic layer is probably of Late Triassic or Early Jurassic age. This unconformity dips rather smoothly seaward beneath the northern Blake Plateau, but south of a geological boundary near 31°N, it has subsided much more rapidly, and reaches depths of more than 12 km. Development of the continental margin north of the boundary began with rifting and subsidence of continental basement in the Triassic. An episode of volcanism may have been due to stresses associated with a spreading center jump at about 175 million years ago. Jurassic and Cretaceous deposits form an onlapping wedge above the inferred early Jurassic volcanics and Triassic sedimentary rocks. During Cenozoic times, development of Gulf Stream flow caused a radical decrease in sedimentation rates so that a shelf that was much narrower than the Mesozoic shelf was formed by progradation against the inner edge of the stream. South of the 31°N geological boundary, the basement probably is semi-oceanic and reef growth, unlike that in the area to the north, has been very active at the outer edge of the plateau.

Flight Wing Surface Pressure and Boundary-Layer Data Report from the F-111 Smooth Variable-Camber Supercritical Mission Adaptive Wing

NASA Technical Reports Server (NTRS)

Powers, Sheryll Goecke; Webb, Lannie D.

1997-01-01

Flight tests were conducted using the advanced fighter technology integration F-111 (AFTI/F-111) aircraft modified with a variable-sweep supercritical mission adaptive wing (MAW). The MAW leading- and trailing-edge variable-camber surfaces were deflected in flight to provide a near-ideal wing camber shape for the flight condition. The MAW features smooth, flexible upper surfaces and fully enclosed lower surfaces, which distinguishes it from conventional flaps that have discontinuous surfaces and exposed or semi-exposed mechanisms. Upper and lower surface wing pressure distributions were measured along four streamwise rows on the right wing for cruise, maneuvering, and landing configurations. Boundary-layer measurements were obtained near the trailing edge for one of the rows. Cruise and maneuvering wing leading-edge sweeps were 26 deg for Mach numbers less than 1 and 45 deg or 58 deg for Mach numbers greater than 1. The landing wing sweep was 9 deg or 16 deg. Mach numbers ranged from 0.27 to 1.41, angles of attack from 2 deg to 13 deg, and Reynolds number per unit foot from 1.4 x 10(exp 6) to 6.5 x 10(exp 6). Leading-edge cambers ranged from O deg to 20 deg down, and trailing-edge cambers ranged from 1 deg up to 19 deg down. Wing deflection data for a Mach number of 0.85 are shown for three cambers. Wing pressure and boundary-layer data are given. Selected data comparisons are shown. Measured wing coordinates are given for three streamwise semispan locations for cruise camber and one spanwise location for maneuver camber.

Magnesium K-Edge NEXAFS Spectroscopy of Chlorophyll a in Solution.

PubMed

Witte, Katharina; Streeck, Cornelia; Mantouvalou, Ioanna; Suchkova, Svetlana A; Lokstein, Heiko; Grötzsch, Daniel; Martyanov, Wjatscheslav; Weser, Jan; Kanngießer, Birgit; Beckhoff, Burkhard; Stiel, Holger

2016-11-17

The interaction of the central magnesium atom of chlorophyll a (Chl a) with the carbon and nitrogen backbone was investigated by magnesium K near-edge X-ray absorption fine structure (NEXAFS) spectroscopy in fluorescence detection mode. A crude extract of Chl a was measured as a 1 × 10 -2 mol/L ethanol solution (which represents an upper limit of concentration without aggregation) and as dried droplets. For the first time, the investigation of Mg bound to Chl a in a liquid environment by means of X-ray absorption spectroscopy is demonstrated. A pre-edge feature in the dissolved as well as in dried Chl a NEXFAS spectra has been identified as a characteristic transition originating from Mg in the Chl a molecule. This result is confirmed by theoretical DFT calculations leading to molecular orbitals (MO) which are mainly situated on the magnesium atom and nitrogen and carbon atoms from the pyrrole rings. The description is the first referring to the MO distribution with respect to the central Mg ion of Chl a and the surrounding atoms. On this basis, new approaches for the investigations of dynamic processes of molecules in solution and structure-function relationships of photosynthetic pigments and pigment-protein complexes in their native environment can be developed.

76 FR 33923 - Endangered and Threatened Wildlife and Plants; 12-Month Finding on a Petition To List Abronia...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-06-09

... Sipes 2006, p. 76). The leaf blades are succulent (fleshy) and oval or diamond-shaped with smooth edges... of climate model runs performed at modeling centers worldwide using 22 global climate models (Ray et...

Finesse of transparent tissue cutting by ultrafast lasers at various wavelengths.

PubMed

Wang, Jenny; Schuele, Georg; Palanker, Daniel

2015-01-01

Transparent ocular tissues, such as the cornea and crystalline lens, can be ablated or dissected using short-pulse lasers. In refractive and cataract surgeries, the cornea, lens, and lens capsule can be cut by producing dielectric breakdown in the focus of a near-infrared (IR) femtosecond laser, which results in explosive vaporization of the interstitial water, causing mechanical rupture of the surrounding tissue. Here, we compare the texture of edges of lens capsule cut by femtosecond lasers with IR and ultraviolet (UV) wavelengths and explore differences in interactions of these lasers with biological molecules. Scanning electron microscopy indicates that a 400-nm laser is capable of producing very smooth cut edges compared to 800 or 1030 nm at a similar focusing angle. Using gel electrophoresis and liquid chromatography/mass spectrometry, we observe laser-induced nonlinear breakdown of proteins and polypeptides by 400-nm femtosecond pulses above and below the dielectric breakdown threshold. On the other hand, 800-nm femtosecond lasers do not produce significant dissociation even above the threshold of dielectric breakdown. However, despite this additional interaction of UV femtosecond laser with proteins, we determine that efficient cutting requires plasma-mediated bubble formation and that remarkably smooth edges are the result of reduced thresholds and smaller focal volume.

Photon counting x-ray imaging with K-edge filtered x-rays: A simulation study.

PubMed

Atak, Haluk; Shikhaliev, Polad M

2016-03-01

In photon counting (PC) x-ray imaging and computed tomography (CT), the broad x-ray spectrum can be split into two parts using an x-ray filter with appropriate K-edge energy, which can improve material decomposition. Recent experimental study has demonstrated substantial improvement in material decomposition with PC CT when K-edge filtered x-rays were used. The purpose of the current work was to conduct further investigations of the K-edge filtration method using comprehensive simulation studies. The study was performed in the following aspects: (1) optimization of the K-edge filter for a particular imaging configuration, (2) effects of the K-edge filter parameters on material decomposition, (3) trade-off between the energy bin separation, tube load, and beam quality with K-edge filter, (4) image quality of general (unsubtracted) images when a K-edge filter is used to improve dual energy (DE) subtracted images, and (5) improvements with K-edge filtered x-rays when PC detector has limited energy resolution. The PC x-ray images of soft tissue phantoms with 15 and 30 cm thicknesses including iodine, CaCO3, and soft tissue contrast materials, were simulated. The signal to noise ratio (SNR) of the contrast elements was determined in general and material-decomposed images using K-edge filters with different atomic numbers and thicknesses. The effect of the filter atomic number and filter thickness on energy separation factor and SNR was determined. The boundary conditions for the tube load and halfvalue layer were determined when the K-edge filters are used. The material-decomposed images were also simulated using PC detector with limited energy resolution, and improvements with K-edge filtered x-rays were quantified. The K-edge filters with atomic numbers from 56 to 71 and K-edge energies 37.4-63.4 keV, respectively, can be used for tube voltages from 60 to 150 kVp, respectively. For a particular tube voltage of 120 kVp, the Gd and Ho were the optimal filter materials to achieve highest SNR. For a particular K-edge filter of Gd and tube voltage of 120 kVp, the filter thickness 0.6 mm provided maximum SNR for considered imaging applications. While K-edge filtration improved SNR of CaCO3 and iodine by 41% and 36%, respectively, in DE subtracted images, it did not deteriorate SNR in general images. For x-ray imaging with nonideal PC detector, the positive effect of the K-edge filter was increased when FWHM energy resolution was degraded, and maximum improvement was at 60% FWHM. This study has shown that K-edge filtered x-rays can provide substantial improvements of material selective PC x-ray and CT imaging for nearly all imaging applications using 60-150 kVp tube voltages. Potential limitations such as tube load, beam hardening, and availability of filter material were shown to not be critical.

Strongly reduced Ehrlich-Schwoebel barriers at the Cu (111) stepped surface with In and Pb surfactants

NASA Astrophysics Data System (ADS)

Hao, Jialei; Zhang, Lixin

2018-01-01

A surfactant can modify the properties of the surface and induce different mode of epitaxy growth. The atomistic mechanism is not fully understood yet. In this first-principles study, taking Cu homoepitaxy along (111) direction as an example, we show that the distribution of the surfactant atoms on the surface is the key. For In and Pb, they prefer to locate at the step edges and remain isolated. Once the growth is started, the distribution can be further modified by Cu adatoms. The uniquely decorated step edges have much lowered Ehrlich-Schwoebel (ES) barriers than that of the clean edges, thus the two dimensional growth on Cu (111) surface is promoted significantly. On the other hand, for Rh, Ir, and Au, these atoms are not favored at the step edges. The ES barriers can't be affected and these metals are not surfactants. The result is very helpful for searching of the optimal surfactants in metal homoepitaxy.

Densely Aligned Graphene Nanoribbon Arrays and Bandgap Engineering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Su, Justin; Chen, Changxin; Gong, Ming

Graphene has attracted great interest for future electronics due to its high mobility and high thermal conductivity. However, a two-dimensional graphene sheet behaves like a metal, lacking a bandgap needed for the key devices components such as field effect transistors (FETs) in digital electronics. It has been shown that, partly due to quantum confinement, graphene nanoribbons (GNRs) with ~2 nm width can open up sufficient bandgaps and evolve into semiconductors to exhibit high on/off ratios useful for FETs. However, a challenging problem has been that, such ultra-narrow GNRs (~2 nm) are difficult to fabricate, especially for GNRs with smooth edgesmore » throughout the ribbon length. Despite high on/off ratios, these GNRs show very low mobility and low on-state conductance due to dominant scattering effects by imperfections and disorders at the edges. Wider GNRs (>5 nm) show higher mobility, higher conductance but smaller bandgaps and low on/off ratios undesirable for FET applications. It is highly desirable to open up bandgaps in graphene or increase the bandgaps in wide GNRs to afford graphene based semiconductors for high performance (high on-state current and high on/off ratio) electronics. Large scale ordering and dense packing of such GNRs in parallel are also needed for device integration but have also been challenging thus far. It has been shown theoretically that uniaxial strains can be applied to a GNR to engineer its bandgap. The underlying physics is that under uniaxial strain, the Dirac point moves due to stretched C-C bonds, leading to an increase in the bandgap of armchair GNRs by up to 50% of its original bandgap (i.e. bandgap at zero strain). For zigzag GNRs, due to the existence of the edge states, changes of bandgap are smaller under uniaxial strain and can be increased by ~30%. This work proposes a novel approach to the fabrication of densely aligned graphene nanoribbons with highly smooth edges afforded by anisotropic etching and uniaxial strain for bandgap engineering of GNRs towards high on/off ratio and high on-state current GNR devices. First, we will develop a novel approach for the fabrication of high density GNR arrays (pitch <50 nm, tunable down to 30nm) with pre-defined edge orientation and smooth edges using a free standing nano-mask derived from diblock copolymer assembly for patterning of graphene sheets. Anisotropic graphene edges will be developed to afford smooth edges along crystallographic lattice directions. Then, we will fabricate GNR devices on flexible substrates and apply uniaxial strain to engineer the bandgap of the GNRs. The bandgap of GNRs could be increased by up to 50% under uniaxial strain according to theoretical calculations and will be investigated through electrical transport measurements. Micro-Raman spectroscopy of single GNRs and parallel arrays will be used to probe and quantify the uniaxial strain. Electrical measurements will be used to probe the on/off ratio of GNR FET devices and confirm the bandgap tuning effects. Finally, we plan to use dense parallel arrays of GNRs to demonstrate strained GNR field effect transistors with high on/off ratios and high on-state current, and compare strained GNR FETs with carbon nanotube and Si based field effect transistor (FET) devices.« less

Performance of hydrofoils with humpback whale-like leading edge protuberances.

NASA Astrophysics Data System (ADS)

Levshin, Alexandra; Henoch, Charles; Johari, Hamid

2005-11-01

The humpback whale (Megaptera novaeangliae) is extremely maneuverable, compared to other whale species, despite its large size and rigid body. Turning maneuvers are especially evident during pursuit of prey. The agility of humpback whale has been attributed to their use of pectoral flippers. The thick flippers have large aspect ratios, and large scale protuberances are present on the leading edge. The flippers do not flap during turning maneuvers. The cross-section of the flipper has a profile similar to a NACA 634-021 airfoil. The amplitude of leading edge protuberances ranges from 2.5 to 12% of the chord, with a spanwise extent of 10 to 50% the chord depending on the location along the span. It has been hypothesized that the `bumpy' leading edge is used for flow control. To examine the effects of protuberances on the leading edge of hydrofoils, a series of rectangular foils with bumpy leading edges were manufactured. The leading edge is sinusoidal in the spanwise direction with amplitudes and wavelengths comparable to that of humpback whale's flippers. The forces and moments on these bumpy foils were measured in a water tunnel and compared with a smooth leading edge foil.

Theoretical Study of α-V2O5 -Based Double-Wall Nanotubes.

PubMed

Porsev, Vitaly V; Bandura, Andrei V; Evarestov, Robert A

2015-10-05

First-principles calculations of the atomic and electronic structure of double-wall nanotubes (DWNTs) of α-V2 O5 are performed. Relaxation of the DWNT structure leads to the formation of two types of local regions: 1) bulk-type regions and 2) puckering regions. Calculated total density of states (DOS) of DWNTs considerably differ from that of single-wall nanotubes and the single layer, as well as from the DOS of the bulk and double layer. Small shoulders that appear on edges of valence and conduction bands result in a considerable decrease in the band gaps of the DWNTs (up to 1 eV relative to the single-layer gaps). The main reason for this effect is the shift of the inner- and outer-wall DOS in opposite directions on the energetic scale. The electron density corresponding to shoulders at the conduction-band edges is localized on vanadium atoms of the bulk-type regions, whereas the electron density corresponding to shoulders at the valence-band edges belongs to oxygen atoms of both regions. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Ethylene dissociation on flat and stepped Ni(1 1 1): A combined STM and DFT study

NASA Astrophysics Data System (ADS)

Vang, Ronnie T.; Honkala, Karoliina; Dahl, Søren; Vestergaard, Ebbe K.; Schnadt, Joachim; Lægsgaard, Erik; Clausen, Bjerne S.; Nørskov, Jens K.; Besenbacher, Flemming

2006-01-01

The dissociative adsorption of ethylene (C 2H 4) on Ni(1 1 1) was studied by scanning tunneling microscopy (STM) and density functional theory (DFT) calculations. The STM studies reveal that ethylene decomposes exclusively at the step edges at room temperature. However, the step edge sites are poisoned by the reaction products and thus only a small brim of decomposed ethylene is formed. At 500 K decomposition on the (1 1 1) facets leads to a continuous growth of carbidic islands, which nucleate along the step edges. DFT calculations were performed for several intermediate steps in the decomposition of ethylene on both Ni(1 1 1) and the stepped Ni(2 1 1) surface. In general the Ni(2 1 1) surface is found to have a higher reactivity than the Ni(1 1 1) surface. Furthermore, the calculations show that the influence of step edge atoms is very different for the different reaction pathways. In particular the barrier for dissociation is lowered significantly more than the barrier for dehydrogenation, and this is of great importance for the bond-breaking selectivity of Ni surfaces. The influence of step edges was also probed by evaporating Ag onto the Ni(1 1 1) surface. STM shows that the room temperature evaporation leads to a step flow growth of Ag islands, and a subsequent annealing at 800 K causes the Ag atoms to completely wet the step edges of Ni(1 1 1). The blocking of the step edges is shown to prevent all decomposition of ethylene at room temperature, whereas the terrace site decomposition at 500 K is confirmed to be unaffected by the Ag atoms. Finally a high surface area NiAg alloy catalyst supported on MgAl 2O 4 was synthesized and tested in flow reactor measurements. The NiAg catalyst has a much lower activity for ethane hydrogenolysis than a similar Ni catalyst, which can be rationalized by the STM and DFT results.

Oblique view of crater Theophilus at northwest edge of Sea of Nectar

NASA Technical Reports Server (NTRS)

1969-01-01

An Apollo 11 oblique view of the large crater Theophilus located at the northwest edge of the Sea of Nectar on the lunar nearside. Theophilus is about 60 statute miles in diameter. the smooth area is Mare Nectaris. The smaller crater Madler, about 14 statute miles in diameter, is located to the east of Theophilus. Visible in the background are the large crater Fracastorius and the smaller crater Beaumont. The coordinates of the center of this photograph are 29 degrees east longitude and 11 degrees south latitude.

Approach for Structurally Clearing an Adaptive Compliant Trailing Edge Flap for Flight

NASA Technical Reports Server (NTRS)

Miller, Eric J.; Lokos, William A.; Cruz, Josue; Crampton, Glen; Stephens, Craig A.; Kota, Sridhar; Ervin, Gregory; Flick, Pete

2015-01-01

The Adaptive Compliant Trailing Edge (ACTE) flap was flown on the NASA Gulfstream GIII test bed at the NASA Armstrong Flight Research Center. This smoothly curving flap replaced the existing Fowler flaps creating a seamless control surface. This compliant structure, developed by FlexSys Inc. in partnership with Air Force Research Laboratory, supported NASA objectives for airframe structural noise reduction, aerodynamic efficiency, and wing weight reduction through gust load alleviation. A thorough structures airworthiness approach was developed to move this project safely to flight.

Adsorption of Potassium on the MoS2(100) Surface: A First-Principles Investigation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Andersen, Amity; Kathmann, Shawn M.; Lilga, Michael A.

2011-04-15

Periodic density functional theory calculations were performed to investigate the interaction that potassium with the Mo and S edges of the MoS2(100) surface. Both neutral and cationic (+1) charged potassium-promoted systems at different sulfur coverages were considered. Our calculations indicate that the potassium atom readily donates its single 4s valence electron to the MoS2 structure for the neutral potassium-promoted system, and the neutral and cationic potassium-promoted systems demonstrate a similar adsorption behavior. Moreover, potassium changes the magnetic properties known to occur at the metallic edge surface, which have implications for electron spin dependent surface characterization methods (i.e., electron spin/paramagnetic spectroscopy).more » Potassium in both the neutral and cationic systems tends to maximize its interactions with the available sulfur atoms at the edge surface, preferring sites over four-fold S hollows on fully sulfided Mo and S edges and over the interstitial gap where two to four edge surface S atoms are available for coordination. As the potassium coverage increases, the adsorption energy per potassium atom, surface work function, and transfer of the K 4s electron to the MoS2(100) surface decreases, which is in line with an increased metallization of the potassium adlayer. The potassium adlayer tends to form chains along the interstitial with K-K distances ~1 Å, which is notably less than those of bulk bcc K metal (4.61 Å). Density of states for the potassium-saturated surface suggests enhanced involvement of broad K 3d states beginning just above the Fermi level. Potassium-promotion of MoS2(100) has implications for alcohol catalysis: increasing the surface basicity by increasing the electron charge of the surface, providing hydrogenation-promoting CO site, blocking edge surface that dissociate CO and lead to methanation, and limiting H2 dissociative adsorption to the edge surface and possibly inhibiting the H2 dissociative adsorption via s character electron repulsion. This research was performed in part using the Molecular Science Computing Facility in the William R. Wiley Environmental Molecular Sciences Laboratory, a U.S. Department of Energy (DOE) national scientific user facility located at the Pacific Northwest National Laboratory (PNNL). PNNL is operated by Battelle for DOE.« less

First principles study on the electronic structures and transport properties of armchair/zigzag edge hybridized graphene nanoribbons

NASA Astrophysics Data System (ADS)

Yi, Xiuying; Long, Mengqiu; Liu, Anhua; Li, Mingjun; Xu, Hui

2018-05-01

Graphene nanoribbons (GNRs) can be mainly classified into armchair graphene nanoribbons (aGNRs) and zigzag graphene nanoribbons (zGNRs) by different edge chiral directions. In this work, by introducing Stone-Wales defects on the edges of the V-shaped aGNRs, we propose a kind of armchair/zigzag edge hybridized GNRs (a/zHGNRs) and using the density functional theory and the nonequilibrium Green's function method, the band structures and electronic transport properties of the a/zHGNRs have been calculated. Our results show that an indirect bandgap appears in the band structures of the a/zHGNRs, which is very different from the direct bandgap of aGNRs and gapless of zGNRs. We also find that the valance band is mainly derived from the armchair partial atoms on the hybridized edge, while the conduction band comes mainly from the zigzag partial atoms of the hybridized edge. Meanwhile, the bandgap also oscillates with a period of three when the ribbon width increases. In addition, our quantum transport calculations show that there is a remarkable transition between the semiconductor and the metal with different ribbon widths in the a/zHGNRs devices, and the corresponding physical analysis is given.

Moiré edge states in twisted graphene nanoribbons

NASA Astrophysics Data System (ADS)

Fleischmann, M.; Gupta, R.; Weckbecker, D.; Landgraf, W.; Pankratov, O.; Meded, V.; Shallcross, S.

2018-05-01

The edge physics of graphene based systems is well known to be highly sensitive to the atomic structure at the boundary, with localized zero mode edge states found only on the zigzag-type termination of the lattice. Here we demonstrate that the graphene twist bilayer supports an additional class of edge states, that (i) are found for all edge geometries and thus are robust against edge roughness, (ii) occur at energies coinciding with twist induced Van Hove singularities in the bulk and (iii) possess an electron density strongly modulated by the moiré lattice. Interestingly, these "moiré edge states" exist only for certain lattice commensurations and thus the edge physics of the twist bilayer is, in dramatic contrast to that of the bulk, not uniquely determined by the twist angle.

"Becoming" Learners/Teachers in Nomadic Space

ERIC Educational Resources Information Center

Gorodetsky, Malka; Barak, Judith

2016-01-01

This paper suggests a conjunction between the learning space of educational edge community (EEC) and the Deleuzeguattarian thought regarding the nature of teachers' "becoming." It attends to the emerging subjectivities of teachers/learners within an EEC, a nomadic, open, and smooth space of learning. It is suggested that autonomous…

Neutral recycling effects on ITG turbulence

DOE PAGES

Stotler, D. P.; Lang, J.; Chang, C. S.; ...

2017-07-04

Here, the effects of recycled neutral atoms on tokamak ion temperature gradient (ITG) driven turbulence have been investigated in a steep edge pedestal, magnetic separatrix configuration, with the full-f edge gryokinetic code XGC1. An adiabatic electron model has been used; hence, the impacts of neutral particles and turbulence on the density gradient are not considered, nor are electromagnetic turbulence effects. The neutral atoms enhance the ITG turbulence, first, by increasing the ion temperature gradient in the pedestal via the cooling effects of charge exchange and, second, by a relative reduction in themore » $$E\\times B$$ shearing rate.« less

Growing Cutting-edge X-ray Optics

ScienceCinema

Conley, Ray

2018-03-02

Ever imagined that an Xbox controller could help open a window into a world spanning just one billionth of a meter? Brookhaven Lab's Ray Conley grows cutting-edge optics called multilayer Laue lenses (MLL) one atomic layer at a time to focus high-energy x-rays to within a single nanometer. To achieve this focusing feat, Ray uses a massive, custom-built atomic deposition device, an array of computers, and a trusty Xbox controller. These lenses will be deployed at the Lab's National Synchrotron Light Source II, due to begin shining super-bright light on pressing scientific puzzles in 2015.

Neutral recycling effects on ITG turbulence

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stotler, D. P.; Lang, J.; Chang, C. S.

Here, the effects of recycled neutral atoms on tokamak ion temperature gradient (ITG) driven turbulence have been investigated in a steep edge pedestal, magnetic separatrix configuration, with the full-f edge gryokinetic code XGC1. An adiabatic electron model has been used; hence, the impacts of neutral particles and turbulence on the density gradient are not considered, nor are electromagnetic turbulence effects. The neutral atoms enhance the ITG turbulence, first, by increasing the ion temperature gradient in the pedestal via the cooling effects of charge exchange and, second, by a relative reduction in themore » $$E\\times B$$ shearing rate.« less

Raman-atomic force microscopy of the ommatidial surfaces of Dipteran compound eyes.

PubMed

Anderson, Mark S; Gaimari, Stephen D

2003-06-01

The ommatidial lens surfaces of the compound eyes in several species of files (Insecta: Diptera) and a related order (Mecoptera) were analyzed using a recently developed Raman-atomic force microscope. We demonstrate in this work that the atomic force microscope (AFM) is a potentially useful instrument for gathering phylogenetic data and that the newly developed Raman-AFM may extend this application by revealing nanometer-scale surface chemistry. This is the first demonstration of apertureless near-field Raman spectroscopy on an intact biological surface. For Chrysopilus testaceipes Bigot (Rhagionidae), this reveals unique cerebral cortex-like surface ridges with periodic variation in height and surface chemistry. Most other Brachyceran flies, and the "Nematoceran" Sylvicola fenestralis (Scopoli) (Anisopodidae), displayed the same morphology, while other taxa displayed various other characteristics, such as a nodule-like (Tipula (Triplicitipula) sp. (Tipulidae)) or coalescing nodule-like (Tabanus punctifer Osten Sacken (Tabanidae)) morphology, a smooth morphology with distinct pits and grooves (Dilophus orbatus (Say) (Bibionidae)), or an entirely smooth surface (Bittacus chlorostigma MacLachlan (Mecoptera: Bittacidae)). The variation in submicrometer structure and surface chemistry provides a new information source of potential phylogenetic importance, suggesting the Raman-atomic force microscope could provide a new tool useful to systematic and evolutionary inquiry.

Raman-atomic force microscopy of the ommatidial surfaces of Dipteran compound eyes

NASA Technical Reports Server (NTRS)

Anderson, Mark S.; Gaimari, Stephen D.

2003-01-01

The ommatidial lens surfaces of the compound eyes in several species of files (Insecta: Diptera) and a related order (Mecoptera) were analyzed using a recently developed Raman-atomic force microscope. We demonstrate in this work that the atomic force microscope (AFM) is a potentially useful instrument for gathering phylogenetic data and that the newly developed Raman-AFM may extend this application by revealing nanometer-scale surface chemistry. This is the first demonstration of apertureless near-field Raman spectroscopy on an intact biological surface. For Chrysopilus testaceipes Bigot (Rhagionidae), this reveals unique cerebral cortex-like surface ridges with periodic variation in height and surface chemistry. Most other Brachyceran flies, and the "Nematoceran" Sylvicola fenestralis (Scopoli) (Anisopodidae), displayed the same morphology, while other taxa displayed various other characteristics, such as a nodule-like (Tipula (Triplicitipula) sp. (Tipulidae)) or coalescing nodule-like (Tabanus punctifer Osten Sacken (Tabanidae)) morphology, a smooth morphology with distinct pits and grooves (Dilophus orbatus (Say) (Bibionidae)), or an entirely smooth surface (Bittacus chlorostigma MacLachlan (Mecoptera: Bittacidae)). The variation in submicrometer structure and surface chemistry provides a new information source of potential phylogenetic importance, suggesting the Raman-atomic force microscope could provide a new tool useful to systematic and evolutionary inquiry.

Identification of B-K near edge x-ray absorption fine structure peaks of boron nitride thin films prepared by sputtering deposition

DOE Office of Scientific and Technical Information (OSTI.GOV)

Niibe, Masahito; Miyamoto, Kazuyoshi; Mitamura, Tohru

2010-09-15

Four {pi}{sup *} resonance peaks were observed in the B-K near edge x-ray absorption fine structure spectra of boron nitride thin films prepared by magnetron sputtering. In the past, these peaks have been explained as the K-absorption of boron atoms, which are present in environment containing nitrogen vacancies, the number of which is 1-3 corresponding to the three peaks at higher photon energy. However, the authors found that there was a strong correlation between the intensities of these three peaks and that of O-K absorption after wide range scanning and simultaneous measurement of nitrogen and oxygen K-absorptions of the BNmore » films. Therefore, the authors conclude that these three peaks at the higher energy side correspond to boron atoms bound to one-to-three oxygen atoms instead of three nitrogen atoms surrounding the boron atom in the h-BN structure. The result of the first-principles calculation with a simple cluster model supported the validity of this explanation.« less

Theoretical study of the influence of the electric field on the electronic properties of armchair boron nitride nanoribbon

NASA Astrophysics Data System (ADS)

Chegel, Raad; Behzad, Somayeh

2014-11-01

We have investigated the electronic properties of A-BNNRs in the external electric field using third nearest neighbor tight binding approximation including edge effects. We found that the dependence of on-site energy to the external electric field for edge atoms and center part atoms is different. By comparing the band structure in the different fields, several differences are clearly seen such as modification of energy dispersions, creation of additional band edge states and band gap reduction. By increasing the electric field the band gap reduces linearly until reaches zero and BNNRs with larger width are more sensitive than small ones. All changes in the band structure are directly reflected in the DOS spectrum. The numbers and the energies of the DOS peaks are dependent on the electric field strength.

Extremal edges versus other principles of figure-ground organization.

PubMed

Ghose, Tandra; Palmer, Stephen E

2010-07-01

Identifying the visual cues that determine relative depth across an image contour (i.e., figure-ground organization) is a central problem of vision science. In this paper, we compare flat cues to figure-ground organization with the recently discovered cue of extremal edges (EEs), which arise when opaque convex surfaces smoothly curve to partly occlude themselves. The present results show that EEs are very powerful pictorial cues to relative depth across an edge, almost entirely dominating the well-known figure-ground cues of relative size, convexity, shape familiarity, and surroundedness. These results demonstrate that natural shading and texture gradients in an image provide important information about figure-ground organization that has largely been overlooked in the past 75 years of research on this topic.

LLSURE: local linear SURE-based edge-preserving image filtering.

PubMed

Qiu, Tianshuang; Wang, Aiqi; Yu, Nannan; Song, Aimin

2013-01-01

In this paper, we propose a novel approach for performing high-quality edge-preserving image filtering. Based on a local linear model and using the principle of Stein's unbiased risk estimate as an estimator for the mean squared error from the noisy image only, we derive a simple explicit image filter which can filter out noise while preserving edges and fine-scale details. Moreover, this filter has a fast and exact linear-time algorithm whose computational complexity is independent of the filtering kernel size; thus, it can be applied to real time image processing tasks. The experimental results demonstrate the effectiveness of the new filter for various computer vision applications, including noise reduction, detail smoothing and enhancement, high dynamic range compression, and flash/no-flash denoising.

Discontinuity-free edge-diffraction model for characterization of focused wave fields.

PubMed

Sedukhin, Andrey G

2010-03-01

A model of discontinuity-free edge diffraction is proposed that is valid in the framework of the scalar Debye approximation and describes the formation process and approximate structure of the stationary diffracted field of a monochromatic converging spherical wave of limited angular opening throughout the whole space about the focus. The field is represented semianalytically in terms of the sum of a direct quasi-spherical wave and two edge quasi-conical waves of the zeroth and first order. The angular spectrum amplitudes of all these waves have smooth continuous variations of the real and imaginary parts in polar angle and radius, the separable nonanalytic functions defining the polar-angle variations of the amplitudes being found by optimization techniques.

Mesh Denoising based on Normal Voting Tensor and Binary Optimization.

PubMed

Yadav, Sunil Kumar; Reitebuch, Ulrich; Polthier, Konrad

2017-08-17

This paper presents a two-stage mesh denoising algorithm. Unlike other traditional averaging approaches, our approach uses an element-based normal voting tensor to compute smooth surfaces. By introducing a binary optimization on the proposed tensor together with a local binary neighborhood concept, our algorithm better retains sharp features and produces smoother umbilical regions than previous approaches. On top of that, we provide a stochastic analysis on the different kinds of noise based on the average edge length. The quantitative results demonstrate that the performance of our method is better compared to state-of-the-art smoothing approaches.

An x-ray absorption spectroscopy study of Ni-Mn-Ga shape memory alloys.

PubMed

Sathe, V G; Dubey, Aditi; Banik, Soma; Barman, S R; Olivi, L

2013-01-30

The austenite to martensite phase transition in Ni-Mn-Ga ferromagnetic shape memory alloys was studied by extended x-ray absorption fine structure (EXAFS) and x-ray absorption near-edge structure (XANES) spectroscopy. The spectra at all the three elements', namely, Mn, Ga and Ni, K-edges in several Ni-Mn-Ga samples (with both Ni and Mn excess) were analyzed at room temperature and low temperatures. The EXAFS analysis suggested a displacement of Mn and Ga atoms in opposite direction with respect to the Ni atoms when the compound transforms from the austenite phase to the martensite phase. The first coordination distances around the Mn and Ga atoms remained undisturbed on transition, while the second and subsequent shells showed dramatic changes indicating the presence of a modulated structure. The Mn rich compounds showed the presence of antisite disorder of Mn and Ga. The XANES results showed remarkable changes in the unoccupied partial density of states corresponding to Mn and Ni, while the electronic structure of Ga remained unperturbed across the martensite transition. The post-edge features in the Mn K-edge XANES spectra changed from a double peak like structure to a flat peak like structure upon phase transition. The study establishes strong correlation between the crystal structure and the unoccupied electronic structure in these shape memory alloys.

Influence of optimized leading-edge deflection and geometric anhedral on the low-speed aerodynamic characteristics of a low-aspect-ratio highly swept arrow-wing configuration. [langley 7 by 10 foot tunnel

NASA Technical Reports Server (NTRS)

Coe, P. L., Jr.; Huffman, J. K.

1979-01-01

An investigation conducted in the Langley 7 by 10 foot tunnel to determine the influence of an optimized leading-edge deflection on the low speed aerodynamic performance of a configuration with a low aspect ratio, highly swept wing. The sensitivity of the lateral stability derivative to geometric anhedral was also studied. The optimized leading edge deflection was developed by aligning the leading edge with the incoming flow along the entire span. Owing to spanwise variation of unwash, the resulting optimized leading edge was a smooth, continuously warped surface for which the deflection varied from 16 deg at the side of body to 50 deg at the wing tip. For the particular configuration studied, levels of leading-edge suction on the order of 90 percent were achieved. The results of tests conducted to determine the sensitivity of the lateral stability derivative to geometric anhedral indicate values which are in reasonable agreement with estimates provided by simple vortex-lattice theories.

Investigation of the impact of high liquid viscosity on jet atomization in crossflow via high-fidelity simulations

NASA Astrophysics Data System (ADS)

Li, Xiaoyi; Gao, Hui; Soteriou, Marios C.

2017-08-01

Atomization of extremely high viscosity liquid can be of interest for many applications in aerospace, automotive, pharmaceutical, and food industries. While detailed atomization measurements usually face grand challenges, high-fidelity numerical simulations offer the advantage to comprehensively explore the atomization details. In this work, a previously validated high-fidelity first-principle simulation code HiMIST is utilized to simulate high-viscosity liquid jet atomization in crossflow. The code is used to perform a parametric study of the atomization process in a wide range of Ohnesorge numbers (Oh = 0.004-2) and Weber numbers (We = 10-160). Direct comparisons between the present study and previously published low-viscosity jet in crossflow results are performed. The effects of viscous damping and slowing on jet penetration, liquid surface instabilities, ligament formation/breakup, and subsequent droplet formation are investigated. Complex variations in near-field and far-field jet penetrations with increasing Oh at different We are observed and linked with the underlying jet deformation and breakup physics. Transition in breakup regimes and increase in droplet size with increasing Oh are observed, mostly consistent with the literature reports. The detailed simulations elucidate a distinctive edge-ligament-breakup dominated process with long surviving ligaments for the higher Oh cases, as opposed to a two-stage edge-stripping/column-fracture process for the lower Oh counterparts. The trend of decreasing column deflection with increasing We is reversed as Oh increases. A predominantly unimodal droplet size distribution is predicted at higher Oh, in contrast to the bimodal distribution at lower Oh. It has been found that both Rayleigh-Taylor and Kelvin-Helmholtz linear stability theories cannot be easily applied to interpret the distinct edge breakup process and further study of the underlying physics is needed.

[Topography and mechanical property of goat temporomandibular joint disc cells].

PubMed

Bao, Guangjie; Kong, Nannan; Guo, Manli; Su, Xuelian; Kang, Hong

2015-08-01

This study is performed to investigate the cell topographies and biomechanical properties of two different types of temporomandibular joint (TMJ) discs from goats by using JPK Nano Wizard 3 biological atomic force microscopy (AFM). This process provides a guideline for selecting seed cells for TMJ disc tissue engineering. TMJ disc cells from primary goats were cultured by monolayer culture method. AFM was used to contact scan the topographies of the two types of TMJ disc cells under physiological environment. Approximately 20 chondrocyte-like and fibroblast-like cells were selected randomly to plot the force-versus-distance curves of the cytoplasm and nucleus. Young's modulus and adhesion were analyzed by JPK Data Processing. The triangle-shapednucleus of the chondrocyte-like cell occupied a large portion of the cell. Cytoskeleton was arranged dendritically on the surface. Pseudopodia were extended from cell edges. The spindle-shaped nucleus of the fibroblast-like cell occupied a significantly larger region compared with the cytoplasmic region. Cytoskeleton was arranged regularly. Cell edges were smooth with less pseudopodia extended. No difference was found in the surface roughness between the two types of cells. According to the force-versus-distance curves, the Young's moduli of the two types of cells were not statistically different (P>0.05), but differences were found in the cytoplasmic regions (P=0.047). No statistical difference was found in the adhesions between the two types of cells (P>0.05). The AFM topography and curves were compared and analyzed. The two types of TMJ disc cells exhibited significantly different topographies, but only slight difference in their mechanical abilities.

Pattern optimizing verification of self-align quadruple patterning

NASA Astrophysics Data System (ADS)

Yamato, Masatoshi; Yamada, Kazuki; Oyama, Kenichi; Hara, Arisa; Natori, Sakurako; Yamauchi, Shouhei; Koike, Kyohei; Yaegashi, Hidetami

2017-03-01

Lithographic scaling continues to advance by extending the life of 193nm immersion technology, and spacer-type multi-patterning is undeniably the driving force behind this trend. Multi-patterning techniques such as self-aligned double patterning (SADP) and self-aligned quadruple patterning (SAQP) have come to be used in memory devices, and they have also been adopted in logic devices to create constituent patterns in the formation of 1D layout designs. Multi-patterning has consequently become an indispensible technology in the fabrication of all advanced devices. In general, items that must be managed when using multi-patterning include critical dimension uniformity (CDU), line edge roughness (LER), and line width roughness (LWR). Recently, moreover, there has been increasing focus on judging and managing pattern resolution performance from a more detailed perspective and on making a right/wrong judgment from the perspective of edge placement error (EPE). To begin with, pattern resolution performance in spacer-type multi-patterning is affected by the process accuracy of the core (mandrel) pattern. Improving the controllability of CD and LER of the mandrel is most important, and to reduce LER, an appropriate smoothing technique should be carefully selected. In addition, the atomic layer deposition (ALD) technique is generally used to meet the need for high accuracy in forming the spacer film. Advances in scaling are accompanied by stricter requirements in the controllability of fine processing. In this paper, we first describe our efforts in improving controllability by selecting the most appropriate materials for the mandrel pattern and spacer film. Then, based on the materials selected, we present experimental results on a technique for improving etching selectivity.

Development of a 2-stage shear-cutting-process to reduce cut-edge-sensitivity of steels

NASA Astrophysics Data System (ADS)

Gläsner, T.; Sunderkötter, C.; Hoffmann, H.; Volk, W.; Golle, R.

2017-09-01

The edge cracking sensitivity of AHSS and UHSS is a challenging factor in the cold forming process. Expanding cut holes during flanging operations is rather common in automotive components. During these flanging operations the pierced hole is stretched so that its diameter is increased. These flanging operations stretch material that has already been subjected to large amounts of plastic deformation, therefore forming problems may occur. An innovative cutting process decreases micro cracks in the cutting surface and facilitates the subsequent cold forming process. That cutting process consists of two stages, which produces close dimensional tolerance and smooth edges. As a result the hole expanding ratio was increased by nearly 100 % when using thick high strength steels for suspension components. The paper describes the mechanisms of the trimming process at the cut edge, and the positive effect of the 2-stage shear-cutting process on the hole extension capability of multiphase steels.

Lasing in topological edge states of a one-dimensional lattice

NASA Astrophysics Data System (ADS)

St-Jean, P.; Goblot, V.; Galopin, E.; Lemaître, A.; Ozawa, T.; Le Gratiet, L.; Sagnes, I.; Bloch, J.; Amo, A.

2017-10-01

Topology describes properties that remain unaffected by smooth distortions. Its main hallmark is the emergence of edge states localized at the boundary between regions characterized by distinct topological invariants. Because their properties are inherited from the topology of the bulk, these edge states present a strong immunity to distortions of the underlying architecture. This feature offers new opportunities for robust trapping of light in nano- and micrometre-scale systems subject to fabrication imperfections and environmentally induced deformations. Here, we report lasing in such topological edge states of a one-dimensional lattice of polariton micropillars that implements an orbital version of the Su-Schrieffer-Heeger Hamiltonian. We further demonstrate that lasing in these states persists under local deformations of the lattice. These results open the way to the implementation of chiral lasers in systems with broken time-reversal symmetry and, when combined with polariton interactions, to the study of nonlinear phenomena in topological photonics.

Controllable Edge Feature Sharpening for Dental Applications

PubMed Central

2014-01-01

This paper presents a new approach to sharpen blurred edge features in scanned tooth preparation surfaces generated by structured-light scanners. It aims to efficiently enhance the edge features so that the embedded feature lines can be easily identified in dental CAD systems, and to avoid unnatural oversharpening geometry. We first separate the feature regions using graph-cut segmentation, which does not require a user-defined threshold. Then, we filter the face normal vectors to propagate the geometry from the smooth region to the feature region. In order to control the degree of the sharpness, we propose a feature distance measure which is based on normal tensor voting. Finally, the vertex positions are updated according to the modified face normal vectors. We have applied the approach to scanned tooth preparation models. The results show that the blurred edge features are enhanced without unnatural oversharpening geometry. PMID:24741376

Controllable edge feature sharpening for dental applications.

PubMed

Fan, Ran; Jin, Xiaogang

2014-01-01

This paper presents a new approach to sharpen blurred edge features in scanned tooth preparation surfaces generated by structured-light scanners. It aims to efficiently enhance the edge features so that the embedded feature lines can be easily identified in dental CAD systems, and to avoid unnatural oversharpening geometry. We first separate the feature regions using graph-cut segmentation, which does not require a user-defined threshold. Then, we filter the face normal vectors to propagate the geometry from the smooth region to the feature region. In order to control the degree of the sharpness, we propose a feature distance measure which is based on normal tensor voting. Finally, the vertex positions are updated according to the modified face normal vectors. We have applied the approach to scanned tooth preparation models. The results show that the blurred edge features are enhanced without unnatural oversharpening geometry.

Novel Laser-Based Technique for Measurements of Primary Atomization Characteristics of Liquid Jets

DTIC Science & Technology

2012-08-22

worth noting that round supercavitating nozzles were used that had sharp edged inlets and exits, with length-to-diameter ratios smaller than 3. This...noting that round supercavitating nozzles were used that had sharp edged inlets and exits, with length-to-diameter ratios smaller than 3. This...breakup. It is worth noting that round supercavitating nozzles were used that had sharp edged inlets and exits, with length-to-diameter ratios

Qualification Testing of the SmartVault Household Goods Shipping Container

DTIC Science & Technology

2011-01-06

base with 4-way forklift entry and molded high-density polyethylene (HDPE) ribbed walls and ( translucent ) lid which are held together with stainless...and four edge drops of the container onto a smooth concrete surface (Appendix 2, Figure 22). The container was visually inspected for damage

Amplitude-steered, pseudophased antenna array

NASA Technical Reports Server (NTRS)

Johnson, C. C.; Martel, R. J.; Dietrich, F. J.; Koloboff, G. J.

1975-01-01

Beam may be smoothly scanned around ring array without instantaneous phase transitions while maintaining constant radiated power by gradually transferring power from receding element to element next to leading edge of driven segment, and by accomplishing antenna element switching during intervals when no power is being applied to elements being switched.

EC02-0188-3

NASA Image and Video Library

2002-07-12

Technician Shawn Warren carefully smoothes out the composite skin of an instrument fairingatop the upper fuselage of the Altair unmanned aerial vehicle (UAV) at General Atomics Aeronautical Systems, Inc., facility at Adelanto, Calif.

Deuterium enrichment of polycyclic aromatic hydrocarbons by photochemically induced exchange with deuterium-rich cosmic ices

NASA Technical Reports Server (NTRS)

Sandford, S. A.; Bernstein, M. P.; Allamandola, L. J.; Gillette, J. S.; Zare, R. N.

2000-01-01

The polycyclic aromatic hydrocarbon (PAH) coronene (C24H12) frozen in D2O ice in a ratio of less than 1 part in 500 rapidly exchanges its hydrogen atoms with the deuterium in the ice at interstellar temperatures and pressures when exposed to ultraviolet radiation. Exchange occurs via three different chemical processes: D atom addition, D atom exchange at oxidized edge sites, and D atom exchange at aromatic edge sites. Observed exchange rates for coronene (C24H12)-D2O and d12-coronene (C24D12)-H2O isotopic substitution experiments show that PAHs in interstellar ices could easily attain the D/H levels observed in meteorites. These results may have important consequences for the abundance of deuterium observed in aromatic materials in the interstellar medium and in meteorites. These exchange mechanisms produce deuteration in characteristic molecular locations on the PAHs that may distinguish them from previously postulated processes for D enrichment of PAHs.

An atomic and molecular fluid model for efficient edge-plasma transport simulations at high densities

NASA Astrophysics Data System (ADS)

Rognlien, Thomas; Rensink, Marvin

2016-10-01

Transport simulations for the edge plasma of tokamaks and other magnetic fusion devices requires the coupling of plasma and recycling or injected neutral gas. There are various neutral models used for this purpose, e.g., atomic fluid model, a Monte Carlo particle models, transition/escape probability methods, and semi-analytic models. While the Monte Carlo method is generally viewed as the most accurate, it is time consuming, which becomes even more demanding for device simulations of high densities and size typical of fusion power plants because the neutral collisional mean-free path becomes very small. Here we examine the behavior of an extended fluid neutral model for hydrogen that includes both atoms and molecules, which easily includes nonlinear neutral-neutral collision effects. In addition to the strong charge-exchange between hydrogen atoms and ions, elastic scattering is included among all species. Comparisons are made with the DEGAS 2 Monte Carlo code. Work performed for U.S. DoE by LLNL under Contract DE-AC52-07NA27344.

Injection Principles from Combustion Studies in a 200-Pound-Thrust Rocket Engine Using Liquid Oxygen and Heptane

NASA Technical Reports Server (NTRS)

Heidmann, M. F.; Auble, C. M.

1955-01-01

The importance of atomizing and mixing liquid oxygen and heptane was studied in a 200-pound-thrust rocket engine. Ten injector elements were used with both steel and transparent chambers. Characteristic velocity was measured over a range of mixture ratios. Combustion gas-flow and luminosity patterns within the chamber were obtained by photographic methods. The results show that, for efficient combustion, the propellants should be both atomized and mixed. Heptane atomization controlled the combustion rate to a much larger extent than oxygen atomization. Induced mixing, however, was required to complete combustion in the smallest volume. For stable, high-efficiency combustion and smooth engine starts, mixing after atomization was most promising.

Localized elasticity measured in epithelial cells migrating at a wound edge using atomic force microscopy

PubMed Central

Wagh, Ajay A.; Roan, Esra; Chapman, Kenneth E.; Desai, Leena P.; Rendon, David A.; Eckstein, Eugene C.; Waters, Christopher M.

2008-01-01

Restoration of lung homeostasis following injury requires efficient wound healing by the epithelium. The mechanisms of lung epithelial wound healing include cell spreading and migration into the wounded area and later cell proliferation. We hypothesized that mechanical properties of cells vary near the wound edge, and this may provide cues to direct cell migration. To investigate this hypothesis, we measured variations in the stiffness of migrating human bronchial epithelial cells (16HBE cells) ∼2 h after applying a scratch wound. We used atomic force microscopy (AFM) in contact mode to measure the cell stiffness in 1.5-μm square regions at different locations relative to the wound edge. In regions far from the wound edge (>2.75 mm), there was substantial variation in the elastic modulus in specific cellular regions, but the median values measured from multiple fields were consistently lower than 5 kPa. At the wound edge, cell stiffness was significantly lower within the first 5 μm but increased significantly between 10 and 15 μm before decreasing again below the median values away from the wound edge. When cells were infected with an adenovirus expressing a dominant negative form of RhoA, cell stiffness was significantly decreased compared with cells infected with a control adenovirus. In addition, expression of dominant negative RhoA abrogated the peak increase in stiffness near the wound edge. These results suggest that cells near the wound edge undergo localized changes in cellular stiffness that may provide signals for cell spreading and migration. PMID:18487359

Edge modulation of electronics and transport properties of cliff-edge phosphorene nanoribbons

NASA Astrophysics Data System (ADS)

Guo, Caixia; Wang, Tianxing; Xia, Congxin; Liu, Yufang

2017-12-01

Based on the first-principles calculations, we study the electronic structures and transport properties of cliff-like edge phosphorene nanoribbons (CPNRs), considering different types of edge passivation. The band structures of bare CPNRs possess the metallic features; while hydrogen (H), fluorine (F), chlorine (Cl) and oxygen (O) atoms-passivated CPNRs are semiconductor materials, and the band gap values monotonically decrease when the ribbon width increases. Moreover, the H and F-passivated CPNRs exhibit the direct band gap characteristics, while the Cl and O-passivated cases show the features of indirect band gap. In addition, the edge passivated CPNRs are more energetically stable than bare edge case. Meanwhile, our results also show that the transport properties of the CPNRs can be obviously influenced by the different edge passivation.

Effect of specific surface microstructures on substrate endothelialisation and thrombogenicity: Importance for stent design.

PubMed

Lutter, Christoph; Nothhaft, Matthias; Rzany, Alexander; Garlichs, Christoph D; Cicha, Iwona

2015-01-01

In coronary artery disease, highly stenosed arteries are frequently treated by stent implantation, which thereafter necessitates a dual-antiplatelet therapy (DAPT) in order to prevent stent-thrombosis. We hypothesized that specific patterns of microstructures on stents can accelerate endothelialisation thereby reducing their thrombogenicity and the DAPT duration. Differently designed, 2-5 μm high elevations or hollows were lithographically etched on silicon plates, subsequently coated with silicon carbide. Smooth silicon plates and bare metal substrates were used as controls. To assess attachment and growth of human umbilical vein endothelial cells under static or flow conditions, actin cytoskeleton was visualised with green phalloidin. Endothelial migration was assessed in a modified barrier assay. To investigate surface thrombogenicity, platelets were incubated on the structured surfaces in static and flow conditions, and visualised with fluorescein-conjugated P-selectin antibody. Images were taken with incident-light fluorescent microscope for non-transparent objects. Compared to smooth surface, flat cubic elevations (5 μm edge length) improved endothelial cell attachment and growth under static and dynamic conditions, whereas smaller, spiky structures (2 μm edge length) had a negative influence on endothelialisation. Endothelial cell migration was fastest on flat cubic elevations, hollows, and smooth surfaces, whereas spiky structures and bare metal had a negative effect on endothelial migration. Thrombogenicity assays under static and flow conditions showed that platelet adhesion was reduced on the flat elevations and the smooth surface, as compared to the spiky structures, the hollow design and the bare metal substrates. Surface microstructures strongly influence endothelialisation of substrates. Designing stents with surface topography which accelerates endothelialisation and reduces thrombogenicity may be of clinical benefit by improving the safety profile of coronary interventions.

Rough and smooth morphotypes isolated from Lactobacillus farciminis CNCM I-3699 are two closely-related variants.

PubMed

Tareb, Raouf; Bernardeau, Marion; Horvath, Philippe; Vernoux, Jean-Paul

2015-01-16

This study focused on a pleomorphic strain Lactobacillus farciminis CNCM I-3699 known as probiotic for animal applications. On plating, this strain was characterized by the presence of rough and smooth morphotypes depending on experimental conditions. Dominant smooth (S) form, bright white, having smooth edges with moist, ropy, and creamy along with rough (R) form, pale white, having irregular edges and a dry and granular aspect were always obtained from the parent strain under aerobic culture conditions. In anaerobic conditions, only S form growth was observed. Biochemical dosage of capsular exopolysaccharides showed a significant difference between S and R forms (p<0.01), in agreement with a ropy or non ropy phenotype for the S or R form, respectively. These differences were confirmed by transmission electronic microscopy. The auto-aggregation profile revealed major differences in cultural behaviors. The R morphotype presented a highly auto-aggregative ability contrary to the S morphotype. However, biochemical and molecular analyses revealed that R and S morphotypes: 1) shared the same sugar fermentation pattern; 2) belonged to L. farciminis species using 16S rDNA sequencing; 3) had identical PFGE patterns using NotI and ApaI endonucleases; and 4) had identical CRISPR loci but different from those of other L. farciminis strains. Furthermore, the novelty and uniqueness of CRISPR spacer sequences in CNCM I-3699 provides a genetic support for the development of a molecular tracking tool for CNCM I-3699 and its variants. In conclusion, L. farciminis CNCM I-3699 is a pleomorphic strain giving reproducibly rise to two phenotypically distinct morphotypes R and S. This phenomenon may explain survival and growth abilities in in vitro fluctuating aerobic-anaerobic conditions along with modulation of exopolysaccharide synthesis and autoaggregation profile. Copyright © 2014 Elsevier B.V. All rights reserved.

Kelvin–Helmholtz instability in an ultrathin air film causes drop splashing on smooth surfaces

PubMed Central

Liu, Yuan; Tan, Peng; Xu, Lei

2015-01-01

When a fast-moving drop impacts onto a smooth substrate, splashing will be produced at the edge of the expanding liquid sheet. This ubiquitous phenomenon lacks a fundamental understanding. Combining experiment with model, we illustrate that the ultrathin air film trapped under the expanding liquid front triggers splashing. Because this film is thinner than the mean free path of air molecules, the interior airflow transfers momentum with an unusually high velocity comparable to the speed of sound and generates a stress 10 times stronger than the airflow in common situations. Such a large stress initiates Kelvin–Helmholtz instabilities at small length scales and effectively produces splashing. Our model agrees quantitatively with experimental verifications and brings a fundamental understanding to the ubiquitous phenomenon of drop splashing on smooth surfaces. PMID:25713350

Detection of percolating paths in polyhedral segregated network composites using electrostatic force microscopy and conductive atomic force microscopy

NASA Astrophysics Data System (ADS)

Waddell, J.; Ou, R.; Capozzi, C. J.; Gupta, S.; Parker, C. A.; Gerhardt, R. A.; Seal, K.; Kalinin, S. V.; Baddorf, A. P.

2009-12-01

Composite specimens possessing polyhedral segregated network microstructures require a very small amount of nanosize filler, <1 vol %, to reach percolation because percolation occurs by accumulation of the fillers along the edges of the deformed polymer matrix particles. In this paper, electrostatic force microscopy (EFM) and conductive atomic force microscopy (C-AFM) were used to confirm the location of the nanosize fillers and the corresponding percolating paths in polymethyl methacrylate/carbon black composites. The EFM and C-AFM images revealed that the polyhedral polymer particles were coated with filler, primarily on the edges as predicted by the geometric models provided.

Tunable resonances due to vacancies in graphene nanoribbons

NASA Astrophysics Data System (ADS)

Bahamon, D. A.; Pereira, A. L. C.; Schulz, P. A.

2010-10-01

The coherent electron transport along zigzag and metallic armchair graphene nanoribbons in the presence of one or two vacancies is investigated. Having in mind atomic scale tunability of the conductance fingerprints, the primary focus is on the effect of the distance to the edges and intervacancies spacing. An involved interplay of vacancies sublattice location and nanoribbon edge termination, together with the spacing parameters lead to a wide conductance resonance line-shape modification. Turning on a magnetic field introduces a new length scale that unveils counterintuitive aspects of the interplay between purely geometric aspects of the system and the underlying atomic scale nature of graphene.

Atomic layer epitaxy of YBaCuO for optoelectronic applications

NASA Technical Reports Server (NTRS)

Skogman, R. A.; Khan, M. A.; Van Hove, J. M.; Bhattarai, A.; Boord, W. T.

1992-01-01

An MOCVD-based atomic-layer epitaxy process is being developed as a potential solution to the problems of film-thickness and interface-abruptness control which are encountered when fabricating superconductor-insulator-superconductor devices using YBa2Cu3O(7-x). In initial studies, the atomic-layer MOCVD process yields superconducting YBa2Cu3O(7-x) films with substrate temperatures of 605 C during film growth, and no postdeposition anneal. The low temperature process yields a smooth film surface and can reduce interface degradation due to diffusion.

Multiscale Modeling of Intergranular Fracture in Aluminum: Constitutive Relation For Interface Debonding

NASA Technical Reports Server (NTRS)

Yamakov, V.; Saether, E.; Glaessgen, E. H.

2008-01-01

Intergranular fracture is a dominant mode of failure in ultrafine grained materials. In the present study, the atomistic mechanisms of grain-boundary debonding during intergranular fracture in aluminum are modeled using a coupled molecular dynamics finite element simulation. Using a statistical mechanics approach, a cohesive-zone law in the form of a traction-displacement constitutive relationship, characterizing the load transfer across the plane of a growing edge crack, is extracted from atomistic simulations and then recast in a form suitable for inclusion within a continuum finite element model. The cohesive-zone law derived by the presented technique is free of finite size effects and is statistically representative for describing the interfacial debonding of a grain boundary (GB) interface examined at atomic length scales. By incorporating the cohesive-zone law in cohesive-zone finite elements, the debonding of a GB interface can be simulated in a coupled continuum-atomistic model, in which a crack starts in the continuum environment, smoothly penetrates the continuum-atomistic interface, and continues its propagation in the atomistic environment. This study is a step towards relating atomistically derived decohesion laws to macroscopic predictions of fracture and constructing multiscale models for nanocrystalline and ultrafine grained materials.

Application of x-ray absorption fine structure (XAFS) to local-order analysis in Fe-Cr maghemite-like materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Montero-Cabrera, M. E., E-mail: elena.montero@cimav.edu.mx; Fuentes-Cobas, L. E.; Macías-Ríos, E.

2015-07-23

The maghemite-like oxide system γ-Fe{sub 2-x}Cr{sub x}O{sub 3} (x=0.75, 1 and 1.25) was studied by X-ray absorption fine structure (XAFS) and by synchrotron radiation X-ray diffraction (XRD). Measurements were performed at the Stanford Synchrotron Radiation Lightsource at room temperature, at beamlines 2-1, 2-3 and 4-3. High-resolution XRD patterns were processed by means of the Rietveld method. In cases of atoms being neighbors in the Periodic Table, the order/disorder degree of the considered solutions is indiscernible by “normal” (absence of “anomalous scattering”) diffraction experiments. Thus, maghemite-like materials were investigated by XAFS in both Fe and Cr K-edges to clarify, via short-rangemore » structure characterization, the local ordering of the investigated system. Athena and Artemis graphic user interfaces for IFEFFIT and FEFF8.4 codes were employed for XAFS spectra interpretation. Pre-edge decomposition and theoretical modeling of X-ray absorption near edge structure (XANES) transitions were performed. By analysis of the Cr K-edge XANES, it has been confirmed that Cr is located in an octahedral environment. Fitting of the extended X-ray absorption fine structure (EXAFS) spectra was performed under the consideration that the central atom of Fe is allowed to occupy octa- and tetrahedral positions, while Cr occupies only octahedral ones. Coordination number of neighboring atoms, interatomic distances and their quadratic deviation average were determined for x=1, by fitting simultaneously the EXAFS spectra of both Fe and Cr K-edges. The results of fitting the experimental spectra with theoretical standards showed that the cation vacancies tend to follow a regular pattern within the structure of the iron-chromium maghemite (FeCrO{sub 3})« less

Spin-dependent electron scattering at graphene edges on Ni(111).

PubMed

Garcia-Lekue, A; Balashov, T; Olle, M; Ceballos, G; Arnau, A; Gambardella, P; Sanchez-Portal, D; Mugarza, A

2014-02-14

We investigate the scattering of surface electrons by the edges of graphene islands grown on Ni(111). By combining local tunneling spectroscopy and ab initio electronic structure calculations we find that the hybridization between graphene and Ni states results in strongly reflecting graphene edges. Quantum interference patterns formed around the islands reveal a spin-dependent scattering of the Shockley bands of Ni, which we attribute to their distinct coupling to bulk states. Moreover, we find a strong dependence of the scattering amplitude on the atomic structure of the edges, depending on the orbital character and energy of the surface states.

Extremal edges: a powerful cue to depth perception and figure-ground organization.

PubMed

Palmer, Stephen E; Ghose, Tandra

2008-01-01

Extremal edges (EEs) are projections of viewpoint-specific horizons of self-occlusion on smooth convex surfaces. An ecological analysis of viewpoint constraints suggests that an EE surface is likely to be closer to the observer than the non-EE surface on the other side of the edge. In two experiments, one using shading gradients and the other using texture gradients, we demonstrated that EEs operate as strong cues to relative depth perception and figure-ground organization. Image regions with an EE along the shared border were overwhelmingly perceived as closer than either flat or equally convex surfaces without an EE along that border. A further demonstration suggests that EEs are more powerful than classical figure-ground cues, including even the joint effects of small size, convexity, and surroundedness.

Effect of asymmetric concentration profile on thermal conductivity in Ge/SiGe superlattices

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hahn, Konstanze R., E-mail: konstanze.hahn@dsf.unica.it; Cecchi, Stefano; Colombo, Luciano

2016-05-16

The effect of the chemical composition in Si/Ge-based superlattices on their thermal conductivity has been investigated using molecular dynamics simulations. Simulation cells of Ge/SiGe superlattices have been generated with different concentration profiles such that the Si concentration follows a step-like, a tooth-saw, a Gaussian, and a gamma-type function in direction of the heat flux. The step-like and tooth-saw profiles mimic ideally sharp interfaces, whereas Gaussian and gamma-type profiles are smooth functions imitating atomic diffusion at the interface as obtained experimentally. Symmetry effects have been investigated comparing the symmetric profiles of the step-like and the Gaussian function to the asymmetric profilesmore » of the tooth-saw and the gamma-type function. At longer sample length and similar degree of interdiffusion, the thermal conductivity is found to be lower in asymmetric profiles. Furthermore, it is found that with smooth concentration profiles where atomic diffusion at the interface takes place the thermal conductivity is higher compared to systems with atomically sharp concentration profiles.« less

Resonance interaction energy between two entangled atoms in a photonic bandgap environment.

PubMed

Notararigo, Valentina; Passante, Roberto; Rizzuto, Lucia

2018-03-26

We consider the resonance interaction energy between two identical entangled atoms, where one is in the excited state and the other in the ground state. They interact with the quantum electromagnetic field in the vacuum state and are placed in a photonic-bandgap environment with a dispersion relation quadratic near the gap edge and linear for low frequencies, while the atomic transition frequency is assumed to be inside the photonic gap and near its lower edge. This problem is strictly related to the coherent resonant energy transfer between atoms in external environments. The analysis involves both an isotropic three-dimensional model and the one-dimensional case. The resonance interaction asymptotically decays faster with distance compared to the free-space case, specifically as 1/r 2 compared to the 1/r free-space dependence in the three-dimensional case, and as 1/r compared to the oscillatory dependence in free space for the one-dimensional case. Nonetheless, the interaction energy remains significant and much stronger than dispersion interactions between atoms. On the other hand, spontaneous emission is strongly suppressed by the environment and the correlated state is thus preserved by the spontaneous-decay decoherence effects. We conclude that our configuration is suitable for observing the elusive quantum resonance interaction between entangled atoms.

Shape Complementarity of Protein-Protein Complexes at Multiple Resolutions

PubMed Central

Zhang, Qing; Sanner, Michel; Olson, Arthur J.

2010-01-01

Biological complexes typically exhibit intermolecular interfaces of high shape complementarity. Many computational docking approaches use this surface complementarity as a guide in the search for predicting the structures of protein-protein complexes. Proteins often undergo conformational changes in order to create a highly complementary interface when associating. These conformational changes are a major cause of failure for automated docking procedures when predicting binding modes between proteins using their unbound conformations. Low resolution surfaces in which high frequency geometric details are omitted have been used to address this problem. These smoothed, or blurred, surfaces are expected to minimize the differences between free and bound structures, especially those that are due to side chain conformations or small backbone deviations. In spite of the fact that this approach has been used in many docking protocols, there has yet to be a systematic study of the effects of such surface smoothing on the shape complementarity of the resulting interfaces. Here we investigate this question by computing shape complementarity of a set of 66 protein-protein complexes represented by multi-resolution blurred surfaces. Complexed and unbound structures are available for these protein-protein complexes. They are a subset of complexes from a non-redundant docking benchmark selected for rigidity (i.e. the proteins undergo limited conformational changes between their bound and unbound states). In this work we construct the surfaces by isocontouring a density map obtained by accumulating the densities of Gaussian functions placed at all atom centers of the molecule. The smoothness or resolution is specified by a Gaussian fall-off coefficient, termed “blobbyness”. Shape complementarity is quantified using a histogram of the shortest distances between two proteins' surface mesh vertices for both the crystallographic complexes and the complexes built using the protein structures in their unbound conformation. The histograms calculated for the bound complex structures demonstrate that medium resolution smoothing (blobbyness=−0.9) can reproduce about 88% of the shape complementarity of atomic resolution surfaces. Complexes formed from the free component structures show a partial loss of shape complementarity (more overlaps and gaps) with the atomic resolution surfaces. For surfaces smoothed to low resolution (blobbyness=−0.3), we find more consistency of shape complementarity between the complexed and free cases. To further reduce bad contacts without significantly impacting the good contacts we introduce another blurred surface, in which the Gaussian densities of flexible atoms are reduced. From these results we discuss the use of shape complementarity in protein-protein docking. PMID:18837463

Validation and Analysis of Numerical Results for a Two-Pass Trapezoidal Channel With Different Cooling Configurations of Trailing Edge.

PubMed

Siddique, Waseem; El-Gabry, Lamyaa; Shevchuk, Igor V; Fransson, Torsten H

2013-01-01

High inlet temperatures in a gas turbine lead to an increase in the thermal efficiency of the gas turbine. This results in the requirement of cooling of gas turbine blades/vanes. Internal cooling of the gas turbine blade/vanes with the help of two-pass channels is one of the effective methods to reduce the metal temperatures. In particular, the trailing edge of a turbine vane is a critical area, where effective cooling is required. The trailing edge can be modeled as a trapezoidal channel. This paper describes the numerical validation of the heat transfer and pressure drop in a trapezoidal channel with and without orthogonal ribs at the bottom surface. A new concept of ribbed trailing edge has been introduced in this paper which presents a numerical study of several trailing edge cooling configurations based on the placement of ribs at different walls. The baseline geometries are two-pass trapezoidal channels with and without orthogonal ribs at the bottom surface of the channel. Ribs induce secondary flow which results in enhancement of heat transfer; therefore, for enhancement of heat transfer at the trailing edge, ribs are placed at the trailing edge surface in three different configurations: first without ribs at the bottom surface, then ribs at the trailing edge surface in-line with the ribs at the bottom surface, and finally staggered ribs. Heat transfer and pressure drop is calculated at Reynolds number equal to 9400 for all configurations. Different turbulent models are used for the validation of the numerical results. For the smooth channel low-Re k-ɛ model, realizable k-ɛ model, the RNG k-ω model, low-Re k-ω model, and SST k-ω models are compared, whereas for ribbed channel, low-Re k-ɛ model and SST k-ω models are compared. The results show that the low-Re k-ɛ model, which predicts the heat transfer in outlet pass of the smooth channels with difference of +7%, underpredicts the heat transfer by -17% in case of ribbed channel compared to experimental data. Using the same turbulence model shows that the height of ribs used in the study is not suitable for inducing secondary flow. Also, the orthogonal rib does not strengthen the secondary flow rotational momentum. The comparison between the new designs for trailing edge shows that if pressure drop is acceptable, staggered arrangement is suitable for the outlet pass heat transfer. For the trailing edge wall, the thermal performance for the ribbed trailing edge only was found about 8% better than other configurations.

Electrochemical Deburring

NASA Technical Reports Server (NTRS)

Burley, R. K.

1983-01-01

Electrochemical deburring removes burrs from assembled injector tubes. Since process uses liquid anodic dissolution in liquid electrolyte to proide deburring action, smoothes surfaces and edges in otherwise inaccessible areas. Tool consists of sleeve that contains metallic ring cathode. Sleeve is placed over tube, and electrolytic solution is forced to flow between tube and sleeve. The workpiece serves an anode.

Animation Strategies for Smooth Transformations Between Discrete Lods of 3d Building Models

NASA Astrophysics Data System (ADS)

Kada, Martin; Wichmann, Andreas; Filippovska, Yevgeniya; Hermes, Tobias

2016-06-01

The cartographic 3D visualization of urban areas has experienced tremendous progress over the last years. An increasing number of applications operate interactively in real-time and thus require advanced techniques to improve the quality and time response of dynamic scenes. The main focus of this article concentrates on the discussion of strategies for smooth transformation between two discrete levels of detail (LOD) of 3D building models that are represented as restricted triangle meshes. Because the operation order determines the geometrical and topological properties of the transformation process as well as its visual perception by a human viewer, three different strategies are proposed and subsequently analyzed. The simplest one orders transformation operations by the length of the edges to be collapsed, while the other two strategies introduce a general transformation direction in the form of a moving plane. This plane either pushes the nodes that need to be removed, e.g. during the transformation of a detailed LOD model to a coarser one, towards the main building body, or triggers the edge collapse operations used as transformation paths for the cartographic generalization.

Fast generation of three-dimensional computational boundary-conforming periodic grids of C-type. [for turbine blades and propellers

NASA Technical Reports Server (NTRS)

Dulikravich, D. S.

1982-01-01

A fast computer program, GRID3C, was developed to generate multilevel three dimensional, C type, periodic, boundary conforming grids for the calculation of realistic turbomachinery and propeller flow fields. The technique is based on two analytic functions that conformally map a cascade of semi-infinite slits to a cascade of doubly infinite strips on different Riemann sheets. Up to four consecutively refined three dimensional grids are automatically generated and permanently stored on four different computer tapes. Grid nonorthogonality is introduced by a separate coordinate shearing and stretching performed in each of three coordinate directions. The grids are easily clustered closer to the blade surface, the trailing and leading edges and the hub or shroud regions by changing appropriate input parameters. Hub and duct (or outer free boundary) have different axisymmetric shapes. A vortex sheet of arbitrary thickness emanating smoothly from the blade trailing edge is generated automatically by GRID3C. Blade cross sectional shape, chord length, twist angle, sweep angle, and dihedral angle can vary in an arbitrary smooth fashion in the spanwise direction.

Measured and predicted pressure distributions on the AFTI/F-111 mission adaptive wing

NASA Technical Reports Server (NTRS)

Webb, Lannie D.; Mccain, William E.; Rose, Lucinda A.

1988-01-01

Flight tests have been conducted using an F-111 aircraft modified with a mission adaptive wing (MAW). The MAW has variable-camber leading and trailing edge surfaces that can change the wing camber in flight, while preserving smooth upper surface contours. This paper contains wing surface pressure measurements obtained during flight tests at Dryden Flight Research Facility of NASA Ames Research Center. Upper and lower surface steady pressure distributions were measured along four streamwise rows of static pressure orifices on the right wing for a leading-edge sweep angle of 26 deg. The airplane, wing, instrumentation, and test conditions are discussed. Steady pressure results are presented for selected wing camber deflections flown at subsonic Mach numbers up to 0.90 and an angle-of-attack range of 5 to 12 deg. The Reynolds number was 26 million, based on the mean aerodynamic chord. The MAW flight data are compared to MAW wind tunnel data, transonic aircraft technology (TACT) flight data, and predicted pressure distributions. The results provide a unique database for a smooth, variable-camber, advanced supercritical wing.

Atomic Step Formation on Sapphire Surface in Ultra-precision Manufacturing

PubMed Central

Wang, Rongrong; Guo, Dan; Xie, Guoxin; Pan, Guoshun

2016-01-01

Surfaces with controlled atomic step structures as substrates are highly relevant to desirable performances of materials grown on them, such as light emitting diode (LED) epitaxial layers, nanotubes and nanoribbons. However, very limited attention has been paid to the step formation in manufacturing process. In the present work, investigations have been conducted into this step formation mechanism on the sapphire c (0001) surface by using both experiments and simulations. The step evolutions at different stages in the polishing process were investigated with atomic force microscopy (AFM) and high resolution transmission electron microscopy (HRTEM). The simulation of idealized steps was constructed theoretically on the basis of experimental results. It was found that (1) the subtle atomic structures (e.g., steps with different sawteeth, as well as steps with straight and zigzag edges), (2) the periodicity and (3) the degree of order of the steps were all dependent on surface composition and miscut direction (step edge direction). A comparison between experimental results and idealized step models of different surface compositions has been made. It has been found that the structure on the polished surface was in accordance with some surface compositions (the model of single-atom steps: Al steps or O steps). PMID:27444267

Atomic Step Formation on Sapphire Surface in Ultra-precision Manufacturing

NASA Astrophysics Data System (ADS)

Wang, Rongrong; Guo, Dan; Xie, Guoxin; Pan, Guoshun

2016-07-01

Surfaces with controlled atomic step structures as substrates are highly relevant to desirable performances of materials grown on them, such as light emitting diode (LED) epitaxial layers, nanotubes and nanoribbons. However, very limited attention has been paid to the step formation in manufacturing process. In the present work, investigations have been conducted into this step formation mechanism on the sapphire c (0001) surface by using both experiments and simulations. The step evolutions at different stages in the polishing process were investigated with atomic force microscopy (AFM) and high resolution transmission electron microscopy (HRTEM). The simulation of idealized steps was constructed theoretically on the basis of experimental results. It was found that (1) the subtle atomic structures (e.g., steps with different sawteeth, as well as steps with straight and zigzag edges), (2) the periodicity and (3) the degree of order of the steps were all dependent on surface composition and miscut direction (step edge direction). A comparison between experimental results and idealized step models of different surface compositions has been made. It has been found that the structure on the polished surface was in accordance with some surface compositions (the model of single-atom steps: Al steps or O steps).

A X-Ray Absorption Study of Transition Metal Oxides

NASA Astrophysics Data System (ADS)

Bunker, Grant Byrd

This work is an experimental and theoretical study of the x-ray absorption near-edge structure of selected 3d transition metal compounds. The goal is to understand the physical mechanisms of XANES, using the competing multiple scattering (MS) and single scattering formalisms of Durham et al, and of Muller and Schaich, respectively. Careful experimental measurements of the K edge absorption of Mn oxides and KMnO(,4) at 300(DEGREES)K, 140(DEGREES)K and 80(DEGREES)K were made. These materials were chosen because they exhibit a variety of structures and oxidation states. Computer simulations of the XANES using the formalisms above were also performed. The experimental results show that atoms beyond the first coordination shell significantly affect the XANES near and above the edge; in particular the temperature dependent XANES and the "white line" in MnO establish this. We conclude that XANES, like EXAFS, is primarily sensitive to geometrical structure, except within about 1 Rydberg of the Fermi level. Two types of MS are distinguished: type 1 (forward scattering) is important in both XANES and EXAFS regions; type 2 (large angle scattering) is important only at and below the edge. MS of the photoelectron among the first shell Oxygen atoms in KMnO(,4) is observed experimentally, and found to become negligible above (DBLTURN) 1 Rydberg past the edge. The sharp features in XANES are primarily due to scattering from distant atoms, rather than localized states, except below the edge. This is supported by the observation that (alpha)-Mn(,2)O(,3) and Mn(,3)O(,4) spectra are nearly identical; their structures are the same, but the average oxidation states are different. We find the bond length strongly affects the edge position and the intensity of the 3d absorption in tetrahedrally coordinated transition metals. Other new results are the first shell EXAFS amplitude in MnO shows an anomalous energy dependence, which apparently cannot be explained by current theory. A new deconvolution algorithm is proposed to minimize truncation effects in Fourier filtering.

Electron tomography and fractal aspects of MoS2 and MoS2/Co spheres.

PubMed

Ramos, Manuel; Galindo-Hernández, Félix; Arslan, Ilke; Sanders, Toby; Domínguez, José Manuel

2017-09-26

A study was made by a combination of 3D electron tomography reconstruction methods and N 2 adsorption for determining the fractal dimension for nanometric MoS 2 and MoS 2 /Co catalyst particles. DFT methods including Neimarke-Kiselev's method allowed to determine the particle porosity and fractal arrays at the atomic scale for the S-Mo-S(Co) 2D- layers that conform the spherically shaped catalyst particles. A structural and textural correlation was sought by further characterization performed by x-ray Rietveld refinement and Radial Distribution Function (RDF) methods, electron density maps, computational density functional theory methods and nitrogen adsorption methods altogether, for studying the structural and textural features of spherical MoS 2 and MoS 2 /Co particles. Neimark-Kiselev's equations afforded the evaluation of a pore volume variation from 10 to 110 cm 3 /g by cobalt insertion in the MoS 2 crystallographic lattice, which induces the formation of cavities and throats in between of less than 29 nm, with a curvature radius r k  < 14.4 nm; typical large needle-like arrays having 20 2D layers units correspond to a model consisting of smooth surfaces within these cavities. Decreasing D P , D B , D I and D M values occur when Co atoms are present in the MoS 2 laminates, which promote the formation of smoother edges and denser surfaces that have an influence on the catalytic properties of the S-Mo-S(Co) system.

Local atomic and electronic structures in ferromagnetic topological insulator Cr-doped (BixSb1-x) 2Te3 studied by XAFS and ab initio calculations

NASA Astrophysics Data System (ADS)

Liu, Zhen; Wei, Xinyuan; Wang, Jiajia; Pan, Hong; Ji, Fuhao; Ye, Mao; Yang, Zhongqin; Qiao, Shan

2015-09-01

The local atomic and electronic structures around the dopants in Cr-doped (BixSb1 -x )2Te3 are studied by x-ray absorption fine structure (XAFS) measurements and first-principles calculations. Both Cr and Bi are confirmed substituting Sb sites (CrSb and BiSb). The six nearest Te atoms around Cr move towards Cr and shorten the Cr-Te bond lengths to 2.76 Å and 2.77 Å for x =0.1 and x =0.2 , respectively. Importantly, we reveal the hybridization between the Sb/Te p states and Cr d states by the presence of a pre-edge peak at Cr K -absorption edge, which is also supported by our ab initio calculations. These findings provide important clues to understand the mechanism of ferromagnetic order in this system with quantum anomalous Hall effect.

Optical Precursor with Four-Wave Mixing and Storage Based on a Cold-Atom Ensemble

NASA Astrophysics Data System (ADS)

Ding, Dong-Sheng; Jiang, Yun Kun; Zhang, Wei; Zhou, Zhi-Yuan; Shi, Bao-Sen; Guo, Guang-Can

2015-03-01

We observed optical precursors in four-wave mixing based on a cold-atom gas. Optical precursors appear at the edges of pulses of the generated optical field, and propagate through the atomic medium without absorption. Theoretical analysis suggests that these precursors correspond to high-frequency components of the signal pulse, which means the atoms cannot respond quickly to rapid changes in the electromagnetic field. In contrast, the low-frequency signal components are absorbed by the atoms during transmission. We also showed experimentally that the backward precursor can be stored using a Raman transition of the atomic ensemble and retrieved later.

Dopant distributions in n-MOSFET structure observed by atom probe tomography.

PubMed

Inoue, K; Yano, F; Nishida, A; Takamizawa, H; Tsunomura, T; Nagai, Y; Hasegawa, M

2009-11-01

The dopant distributions in an n-type metal-oxide-semiconductor field effect transistor (MOSFET) structure were analyzed by atom probe tomography. The dopant distributions of As, P, and B atoms in a MOSFET structure (gate, gate oxide, channel, source/drain extension, and halo) were obtained. P atoms were segregated at the interface between the poly-Si gate and the gate oxide, and on the grain boundaries of the poly-Si gate, which had an elongated grain structure along the gate height direction. The concentration of B atoms was enriched near the edge of the source/drain extension where the As atoms were implanted.

Thermal motion in proteins: Large effects on the time-averaged interaction energies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Goethe, Martin, E-mail: martingoethe@ub.edu; Rubi, J. Miguel; Fita, Ignacio

As a consequence of thermal motion, inter-atomic distances in proteins fluctuate strongly around their average values, and hence, also interaction energies (i.e. the pair-potentials evaluated at the fluctuating distances) are not constant in time but exhibit pronounced fluctuations. These fluctuations cause that time-averaged interaction energies do generally not coincide with the energy values obtained by evaluating the pair-potentials at the average distances. More precisely, time-averaged interaction energies behave typically smoother in terms of the average distance than the corresponding pair-potentials. This averaging effect is referred to as the thermal smoothing effect. Here, we estimate the strength of the thermal smoothingmore » effect on the Lennard-Jones pair-potential for globular proteins at ambient conditions using x-ray diffraction and simulation data of a representative set of proteins. For specific atom species, we find a significant smoothing effect where the time-averaged interaction energy of a single atom pair can differ by various tens of cal/mol from the Lennard-Jones potential at the average distance. Importantly, we observe a dependency of the effect on the local environment of the involved atoms. The effect is typically weaker for bulky backbone atoms in beta sheets than for side-chain atoms belonging to other secondary structure on the surface of the protein. The results of this work have important practical implications for protein software relying on free energy expressions. We show that the accuracy of free energy expressions can largely be increased by introducing environment specific Lennard-Jones parameters accounting for the fact that the typical thermal motion of protein atoms depends strongly on their local environment.« less

Solid Lubrication Fundamentals and Applications. Properties of Clean Surfaces: Adhesion, Friction, and Wear

NASA Technical Reports Server (NTRS)

Miyoshi, Kazuhisa

1998-01-01

This chapter presents the adhesion, friction, and wear behaviors of smooth, atomically clean surfaces of solid-solid couples, such as metal-ceramic couples, in a clean environment. Surface and bulk properties, which determine the adhesion, friction, and wear behaviors of solid-solid couples, are described. The primary emphasis is on the nature and character of the metal, especially its surface energy and ductility. Also, the mechanisms of friction and wear for clean, smooth surfaces are stated.

Basis Expansion Approaches for Regularized Sequential Dictionary Learning Algorithms With Enforced Sparsity for fMRI Data Analysis.

PubMed

Seghouane, Abd-Krim; Iqbal, Asif

2017-09-01

Sequential dictionary learning algorithms have been successfully applied to functional magnetic resonance imaging (fMRI) data analysis. fMRI data sets are, however, structured data matrices with the notions of temporal smoothness in the column direction. This prior information, which can be converted into a constraint of smoothness on the learned dictionary atoms, has seldomly been included in classical dictionary learning algorithms when applied to fMRI data analysis. In this paper, we tackle this problem by proposing two new sequential dictionary learning algorithms dedicated to fMRI data analysis by accounting for this prior information. These algorithms differ from the existing ones in their dictionary update stage. The steps of this stage are derived as a variant of the power method for computing the SVD. The proposed algorithms generate regularized dictionary atoms via the solution of a left regularized rank-one matrix approximation problem where temporal smoothness is enforced via regularization through basis expansion and sparse basis expansion in the dictionary update stage. Applications on synthetic data experiments and real fMRI data sets illustrating the performance of the proposed algorithms are provided.

LROC assessment of non-linear filtering methods in Ga-67 SPECT imaging

NASA Astrophysics Data System (ADS)

De Clercq, Stijn; Staelens, Steven; De Beenhouwer, Jan; D'Asseler, Yves; Lemahieu, Ignace

2006-03-01

In emission tomography, iterative reconstruction is usually followed by a linear smoothing filter to make such images more appropriate for visual inspection and diagnosis by a physician. This will result in a global blurring of the images, smoothing across edges and possibly discarding valuable image information for detection tasks. The purpose of this study is to investigate which possible advantages a non-linear, edge-preserving postfilter could have on lesion detection in Ga-67 SPECT imaging. Image quality can be defined based on the task that has to be performed on the image. This study used LROC observer studies based on a dataset created by CPU-intensive Gate Monte Carlo simulations of a voxelized digital phantom. The filters considered in this study were a linear Gaussian filter, a bilateral filter, the Perona-Malik anisotropic diffusion filter and the Catte filtering scheme. The 3D MCAT software phantom was used to simulate the distribution of Ga-67 citrate in the abdomen. Tumor-present cases had a 1-cm diameter tumor randomly placed near the edges of the anatomical boundaries of the kidneys, bone, liver and spleen. Our data set was generated out of a single noisy background simulation using the bootstrap method, to significantly reduce the simulation time and to allow for a larger observer data set. Lesions were simulated separately and added to the background afterwards. These were then reconstructed with an iterative approach, using a sufficiently large number of MLEM iterations to establish convergence. The output of a numerical observer was used in a simplex optimization method to estimate an optimal set of parameters for each postfilter. No significant improvement was found for using edge-preserving filtering techniques over standard linear Gaussian filtering.

Large and small-scale structures and the dust energy balance problem in spiral galaxies

NASA Astrophysics Data System (ADS)

Saftly, W.; Baes, M.; De Geyter, G.; Camps, P.; Renaud, F.; Guedes, J.; De Looze, I.

2015-04-01

The interstellar dust content in galaxies can be traced in extinction at optical wavelengths, or in emission in the far-infrared. Several studies have found that radiative transfer models that successfully explain the optical extinction in edge-on spiral galaxies generally underestimate the observed FIR/submm fluxes by a factor of about three. In order to investigate this so-called dust energy balance problem, we use two Milky Way-like galaxies produced by high-resolution hydrodynamical simulations. We create mock optical edge-on views of these simulated galaxies (using the radiative transfer code SKIRT), and we then fit the parameters of a basic spiral galaxy model to these images (using the fitting code FitSKIRT). The basic model includes smooth axisymmetric distributions along a Sérsic bulge and exponential disc for the stars, and a second exponential disc for the dust. We find that the dust mass recovered by the fitted models is about three times smaller than the known dust mass of the hydrodynamical input models. This factor is in agreement with previous energy balance studies of real edge-on spiral galaxies. On the other hand, fitting the same basic model to less complex input models (e.g. a smooth exponential disc with a spiral perturbation or with random clumps), does recover the dust mass of the input model almost perfectly. Thus it seems that the complex asymmetries and the inhomogeneous structure of real and hydrodynamically simulated galaxies are a lot more efficient at hiding dust than the rather contrived geometries in typical quasi-analytical models. This effect may help explain the discrepancy between the dust emission predicted by radiative transfer models and the observed emission in energy balance studies for edge-on spiral galaxies.

Topology and Edge Modes in Quantum Critical Chains

NASA Astrophysics Data System (ADS)

Verresen, Ruben; Jones, Nick G.; Pollmann, Frank

2018-02-01

We show that topology can protect exponentially localized, zero energy edge modes at critical points between one-dimensional symmetry-protected topological phases. This is possible even without gapped degrees of freedom in the bulk—in contrast to recent work on edge modes in gapless chains. We present an intuitive picture for the existence of these edge modes in the case of noninteracting spinless fermions with time-reversal symmetry (BDI class of the tenfold way). The stability of this phenomenon relies on a topological invariant defined in terms of a complex function, counting its zeros and poles inside the unit circle. This invariant can prevent two models described by the same conformal field theory (CFT) from being smoothly connected. A full classification of critical phases in the noninteracting BDI class is obtained: Each phase is labeled by the central charge of the CFT, c ∈1/2 N , and the topological invariant, ω ∈Z . Moreover, c is determined by the difference in the number of edge modes between the phases neighboring the transition. Numerical simulations show that the topological edge modes of critical chains can be stable in the presence of interactions and disorder.

Electronic structure and aromaticity of large-scale hexagonal graphene nanoflakes.

PubMed

Hu, Wei; Lin, Lin; Yang, Chao; Yang, Jinlong

2014-12-07

With the help of the recently developed SIESTA-pole (Spanish Initiative for Electronic Simulations with Thousands of Atoms) - PEXSI (pole expansion and selected inversion) method [L. Lin, A. García, G. Huhs, and C. Yang, J. Phys.: Condens. Matter 26, 305503 (2014)], we perform Kohn-Sham density functional theory calculations to study the stability and electronic structure of hydrogen passivated hexagonal graphene nanoflakes (GNFs) with up to 11,700 atoms. We find the electronic properties of GNFs, including their cohesive energy, edge formation energy, highest occupied molecular orbital-lowest unoccupied molecular orbital energy gap, edge states, and aromaticity, depend sensitively on the type of edges (armchair graphene nanoflakes (ACGNFs) and zigzag graphene nanoflakes (ZZGNFs)), size and the number of electrons. We observe that, due to the edge-induced strain effect in ACGNFs, large-scale ACGNFs' edge formation energy decreases as their size increases. This trend does not hold for ZZGNFs due to the presence of many edge states in ZZGNFs. We find that the energy gaps E(g) of GNFs all decay with respect to 1/L, where L is the size of the GNF, in a linear fashion. But as their size increases, ZZGNFs exhibit more localized edge states. We believe the presence of these states makes their gap decrease more rapidly. In particular, when L is larger than 6.40 nm, we find that ZZGNFs exhibit metallic characteristics. Furthermore, we find that the aromatic structures of GNFs appear to depend only on whether the system has 4N or 4N + 2 electrons, where N is an integer.

Atomic-scale investigation of point defects and hydrogen-solute atmospheres on the edge dislocation mobility in alpha iron

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bhatia, M. A.; Solanki, K. N., E-mail: kiran.solanki@asu.edu; Groh, S.

2014-08-14

In this study, we present atomistic mechanisms of 1/2 [111](11{sup ¯}0) edge dislocation interactions with point defects (hydrogen and vacancies) and hydrogen solute atmospheres in body centered cubic (bcc) iron. In metals such as iron, increases in hydrogen concentration can increase dislocation mobility and/or cleavage-type decohesion. Here, we first investigate the dislocation mobility in the presence of various point defects, i.e., change in the frictional stress as the edge dislocation interacts with (a) vacancy, (b) substitutional hydrogen, (c) one substitutional and one interstitial hydrogen, (d) interstitial hydrogen, (e) vacancy and interstitial hydrogen, and (f) two interstitial hydrogen. Second, we examinemore » the role of a hydrogen-solute atmosphere on the rate of local dislocation velocity. The edge dislocation simulation with a vacancy in the compression side of the dislocation and an interstitial hydrogen atom at the tension side exhibit the strongest mechanical response, suggesting a higher potential barrier and hence, the higher frictional stress (i.e., ∼83% higher than the pure iron Peierls stress). In the case of a dislocation interacting with a vacancy on the compressive side, the vacancy binds with the edge dislocation, resulting in an increase in the friction stress of about 28% when compared with the Peierls stress of an edge dislocation in pure iron. Furthermore, as the applied strain increases, the vacancy migrates through a dislocation transportation mechanism by attaining a velocity of the same order as the dislocation velocity. For the case of the edge dislocation interacting with interstitial hydrogen on the tension side, the hydrogen atom jumps through one layer perpendicular to the glide plane during the pinning-unpinning process. Finally, our simulation of dislocation interactions with hydrogen show first an increase in the local dislocation velocity followed by a pinning of the dislocation core in the atmosphere, resulting in resistance to dislocation motion as the dislocation moves though the hydrogen-solute atmospheres. With this systematic, atomistic study of the edge dislocation with various point defects, we show significant increase in obstacle strengths in addition to an increase in the local dislocation velocity during interaction with solute atmospheres. The results have implications for constitutive development and modeling of the hydrogen effect on dislocation mobility and deformation in metals.« less

Unified mechanism of alkali and alkaline earth catalyzed gasification reactions of carbon by CO2 and H2O

USGS Publications Warehouse

Chen, S.G.; Yang, R.T.

1997-01-01

From molecular orbital calculations, a unified mechanism is proposed for the gasification reactions of graphite by CO2 and H2O, both uncatalyzed and catalyzed by alkali and alkaline earth catalysts. In this mechanism, there are two types of oxygen intermediates that are bonded to the active edge carbon atoms: an in-plane semiquinone type, Cf(O), and an off-plane oxygen bonded to two saturated carbon atoms that are adjacent to the semiquinone species, C(O)Cf(O). The rate-limiting step is the decomposition of these intermediates by breaking the C-C bonds that are connected to Cf(O). A new rate equation is derived for the uncatalyzed reactions, and that for the catalyzed reactions is readily available from the proposed mechanism. The proposed mechanism can account for several unresolved experimental observations: TPD and TK (transient kinetics) desorption results of the catalyzed systems, the similar activation energies for the uncatalyzed and catalyzed reactions, and the relative activities of the alkali and alkaline earth elements. The net charge of the edge carbon active site is substantially changed by gaining electron density from the alkali or alkaline earth element (by forming C-O-M, where M stands for metal). The relative catalytic activities of these elements can be correlated with their abilities of donating electrons and changing the net charge of the edge carbon atom. As shown previously (Chen, S. G.; Yang, R. T. J. Catal. 1993, 141, 102), only clusters of the alkali compounds are active. This derives from the ability of the clusters to dissociate CO2 and H2O to form O atoms and the mobility of the dissociated O atoms facilitated by the clusters.

Electronic structure, magnetism, and optical properties of Fe2SiO4 fayalite at ambient and high pressures: A GGA+U study

NASA Astrophysics Data System (ADS)

Jiang, Xuefan; Guo, G. Y.

2004-04-01

The electronic structure, magnetism, and optical properties of Fe2SiO4 fayalite, the iron-rich end member of the olivine-type silicate, one of the most abundant minerals in Earth’s upper mantle, have been studied by density-functional theory within the generalized gradient approximation (GGA) with the on-site Coulomb energy U=4.5 eV taken into account (GGA+U). The stable insulating antiferromagnetic solution with an energy gap ˜1.49 eV and a spin magnetic moment of 3.65μB and an orbital magnetic moment of 0.044μB per iron atom is obtained. It is found that the gap opening in this fayalite results mainly from the strong on-site Coulomb interaction on the iron atoms. In this band structure, the top of valence bands consists mainly of the 3d orbitals of Fe2 atoms, and the bottom of the conduction bands is mainly composed of the 3d orbitals of Fe1 atoms. Therefore, since the electronic transition from the Fe2 3d to Fe1 3d states is weak, significant electronic transitions would appear only about 1 eV above the absorption edge when Fe-O orbitals are involved in the final states. In addition, our band-structure calculations can explain the observed phenomena including redshift near the absorption edge and the decrease of the electrical resistivity of Fe2SiO4 upon compression. The calculated Fe p partial density of states agree well with Fe K-edge x-ray absorption spectrum. The calculated lattice constants and atomic coordinates for Fe2SiO4 fayalite in orthorhombic structure are in good agreement with experiments.

Local/non-local regularized image segmentation using graph-cuts: application to dynamic and multispectral MRI.

PubMed

Hanson, Erik A; Lundervold, Arvid

2013-11-01

Multispectral, multichannel, or time series image segmentation is important for image analysis in a wide range of applications. Regularization of the segmentation is commonly performed using local image information causing the segmented image to be locally smooth or piecewise constant. A new spatial regularization method, incorporating non-local information, was developed and tested. Our spatial regularization method applies to feature space classification in multichannel images such as color images and MR image sequences. The spatial regularization involves local edge properties, region boundary minimization, as well as non-local similarities. The method is implemented in a discrete graph-cut setting allowing fast computations. The method was tested on multidimensional MRI recordings from human kidney and brain in addition to simulated MRI volumes. The proposed method successfully segment regions with both smooth and complex non-smooth shapes with a minimum of user interaction.

A Comprehensive X-Ray Absorption Model for Atomic Oxygen

NASA Technical Reports Server (NTRS)

Gorczyca, T. W.; Bautista, M. A.; Hasoglu, M. F.; Garcia, J.; Gatuzz, E.; Kaastra, J. S.; Kallman, T. R.; Manson, S. T.; Mendoza, C.; Raassen, A. J. J.;

Optically Unraveling the Edge Chirality-Dependent Band Structure and Plasmon Damping in Graphene Edges.

PubMed

Duan, Jiahua; Chen, Runkun; Cheng, Yuan; Yang, Tianzhong; Zhai, Feng; Dai, Qing; Chen, Jianing

2018-05-01

The nontrivial topological origin and pseudospinorial character of electron wavefunctions make edge states possess unusual electronic properties. Twenty years ago, the tight-binding model calculation predicted that zigzag termination of 2D sheets of carbon atoms have peculiar edge states, which show potential application in spintronics and modern information technologies. Although scanning probe microscopy is employed to capture this phenomenon, the experimental demonstration of its optical response remains challenging. Here, the propagating graphene plasmon provides an edge-selective polaritonic probe to directly detect and control the electronic edge state at ambient condition. Compared with armchair, the edge-band structure in the bandgap gives rise to additional optical absorption and strongly absorbed rim at zigzag edge. Furthermore, the optical conductivity is reconstructed and the anisotropic plasmon damping in graphene systems is revealed. The reported approach paves the way for detecting edge-specific phenomena in other van der Waals materials and topological insulators. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Atomic layer epitaxy of GaN over sapphire using switched metalorganic chemical vapor deposition

NASA Astrophysics Data System (ADS)

Khan, M. A.; Skogman, R. A.; van Hove, J. M.; Olson, D. T.; Kuznia, J. N.

1992-03-01

In this letter the first switched atomic layer epitaxy (SALE) of single crystal GaN over basal plane sapphire substrates is reported. A low pressure metalorganic chemical vapor deposition (LPMOCVD) system was used for the epilayer depositions. In contrast to conventional LPMOCVD requiring temperatures higher than 700 C, the SALE process resulted in single crystal insulating GaN layers at growth temperatures ranging from 900 to 450 C. The band-edge transmission and the photoluminescence of the films from the SALE process were comparable to the best LPMOCVD films. As best as is known this is the first report of insulating GaN films which show excellent band-edge photoluminescence.

Atomic layer epitaxy of GaN over sapphire using switched metalorganic chemical vapor deposition

NASA Astrophysics Data System (ADS)

Asif Khan, M.; Skogman, R. A.; Van Hove, J. M.; Olson, D. T.; Kuznia, J. N.

1992-03-01

In this letter we report the first switched atomic layer epitaxy (SALE) of single crystal GaN over basal plane sapphire substrates. A low pressure metalorganic chemical vapor deposition (LPMOCVD) system was used for the epilayer depositions. In contrast to conventional LPMOCVD requiring temperatures higher than 700 °C, the SALE process resulted in single crystal insulating GaN layers at growth temperatures ranging from 900 to 450 °C. The band-edge transmission and the photoluminescence of the films from the SALE process were comparable to the best LPMOCVD films. To the best of our knowledge this is the first report of insulating GaN films which show excellent band-edge photoluminescence.

Control of thermal deformation in dielectric mirrors using mechanical design and atomic layer deposition.

PubMed

Gabriel, Nicholas T; Kim, Sangho S; Talghader, Joseph J

2009-07-01

A mechanical design technique for optical coatings that simultaneously controls thermal deformation and optical reflectivity is reported. The method requires measurement of the refractive index and thermal stress of single films prior to the design. Atomic layer deposition was used for deposition because of the high repeatability of the film constants. An Al2O3/HfO2 distributed Bragg reflector was deposited with a predicted peak reflectivity of 87.9% at 542.4 nm and predicted edge deformation of -360 nm/K on a 10 cm silicon substrate. The measured peak reflectivity was 85.7% at 541.7 nm with an edge deformation of -346 nm/K.

Wind Competing Against Settling: A Coherent Model of the GW Virginis Instability Domain

NASA Astrophysics Data System (ADS)

Quirion, P.-O.; Fontaine, G.; Brassard, P.

2012-08-01

We examine in detail the proposition that GW Vir pulsators owe their existence to a residual stellar wind that competes against the settling of the carbon and oxygen atoms which "fuel" pulsational instabilities via their opacity. With cooling, the fading wind progressively loses its capacity to maintain enough of these opaque atoms in the driving region, leading naturally to a red edge where pulsations disappear. We investigate, in particular, the effects of changing the mass-loss law and the initial envelope composition on the position of the red edge in the log g-T eff diagram. With this approach, we derive a coherent picture of the GW Vir instability domain.

Sum rules for the uniform-background model of an atomic-sharp metal corner

NASA Astrophysics Data System (ADS)

Streitenberger, P.

1994-04-01

Analytical results are derived for the electrostatic potential of an atomic-sharp 90° metal corner in the uniform-background model. The electrostatic potential at a free jellium edge and the jellium corner, respectively, is determined exactly in terms of the energy per electron of the uniform electron gas integrated over the background density. The surface energy, the edge formation energy and the derivative of the corner formation energy with respect to the background density are given as integrals over the electrostatic potential. The present approach represents a novel approach to such sum rules, inclusive of the Budd-Vannimenus sum rules for a free jellium surface, based on general properties of linear response functions.

SU-E-I-01: Iterative CBCT Reconstruction with a Feature-Preserving Penalty

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lyu, Q; Li, B; Southern Medical University, Guangzhou

2015-06-15

Purpose: Low-dose CBCT is desired in various clinical applications. Iterative image reconstruction algorithms have shown advantages in suppressing noise in low-dose CBCT. However, due to the smoothness constraint enforced during the reconstruction process, edges may be blurred and image features may lose in the reconstructed image. In this work, we proposed a new penalty design to preserve image features in the image reconstructed by iterative algorithms. Methods: Low-dose CBCT is reconstructed by minimizing the penalized weighted least-squares (PWLS) objective function. Binary Robust Independent Elementary Features (BRIEF) of the image were integrated into the penalty of PWLS. BRIEF is a generalmore » purpose point descriptor that can be used to identify important features of an image. In this work, BRIEF distance of two neighboring pixels was used to weigh the smoothing parameter in PWLS. For pixels of large BRIEF distance, weaker smooth constraint will be enforced. Image features will be better preserved through such a design. The performance of the PWLS algorithm with BRIEF penalty was evaluated by a CatPhan 600 phantom. Results: The image quality reconstructed by the proposed PWLS-BRIEF algorithm is superior to that by the conventional PWLS method and the standard FDK method. At matched noise level, edges in PWLS-BRIEF reconstructed image are better preserved. Conclusion: This study demonstrated that the proposed PWLS-BRIEF algorithm has great potential on preserving image features in low-dose CBCT.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Muslimov, A. E., E-mail: amuslimov@mail.ru; Butashin, A. V.; Kanevsky, V. M.

The (001) cleavage surface of vanadium pentoxide (V{sub 2}O{sub 5}) crystal has been studied by scanning tunneling spectroscopy (STM). It is shown that the surface is not reconstructed; the STM image allows geometric lattice parameters to be determined with high accuracy. The nanostructure formed on the (001) cleavage surface of crystal consists of atomically smooth steps with a height multiple of unit-cell parameter c = 4.37 Å. The V{sub 2}O{sub 5} crystal cleavages can be used as references in calibration of a scanning tunneling microscope under atmospheric conditions both along the (Ñ…, y) surface and normally to the sample surfacemore » (along the z axis). It is found that the terrace surface is not perfectly atomically smooth; its roughness is estimated to be ~0.5 Å. This circumstance may introduce an additional error into the microscope calibration along the z coordinate.« less

Canny edge-based deformable image registration

NASA Astrophysics Data System (ADS)

Kearney, Vasant; Huang, Yihui; Mao, Weihua; Yuan, Baohong; Tang, Liping

2017-02-01

This work focuses on developing a 2D Canny edge-based deformable image registration (Canny DIR) algorithm to register in vivo white light images taken at various time points. This method uses a sparse interpolation deformation algorithm to sparsely register regions of the image with strong edge information. A stability criterion is enforced which removes regions of edges that do not deform in a smooth uniform manner. Using a synthetic mouse surface ground truth model, the accuracy of the Canny DIR algorithm was evaluated under axial rotation in the presence of deformation. The accuracy was also tested using fluorescent dye injections, which were then used for gamma analysis to establish a second ground truth. The results indicate that the Canny DIR algorithm performs better than rigid registration, intensity corrected Demons, and distinctive features for all evaluation matrices and ground truth scenarios. In conclusion Canny DIR performs well in the presence of the unique lighting and shading variations associated with white-light-based image registration.

Thermal conductivity of graphene nanoribbons accounting for phonon dispersion and polarization

NASA Astrophysics Data System (ADS)

Wang, Yingjun; Xie, Guofeng

2015-12-01

The relative contribution to heat conduction by different phonon branches is still an intriguing and open question in phonon transport of graphene nanoribbons (GNRs). By incorporating the direction-dependent phonon-boundary scattering into the linearized phonon Boltzmann transport equation, we find that because of lower Grüneisen parameter, the TA phonons have the major contribution to thermal conductivity of GNRs, and in the case of smooth edge and micron-length of GNRS, the relative contribution of TA branch to thermal conductivity is over 50%. The length and edge roughness of GNRs have distinct influences on the relative contribution of different polarization branches to thermal conductivity. The contribution of TA branch to thermal conductivity increases with increasing the length or decreasing the edge roughness of GNRs. On the contrary, the contribution of ZA branch to thermal conductivity increases with decreasing the length or increasing the edge roughness of GNRs. The contribution of LA branch is length and roughness insensitive. Our findings are helpful for understanding and engineering the thermal conductivity of GNRs.

Energy band gaps in graphene nanoribbons with corners

NASA Astrophysics Data System (ADS)

Szczȩśniak, Dominik; Durajski, Artur P.; Khater, Antoine; Ghader, Doried

2016-05-01

In the present paper, we study the relation between the band gap size and the corner-corner length in representative chevron-shaped graphene nanoribbons (CGNRs) with 120° and 150° corner edges. The direct physical insight into the electronic properties of CGNRs is provided within the tight-binding model with phenomenological edge parameters, developed against recent first-principle results. We show that the analyzed CGNRs exhibit inverse relation between their band gaps and corner-corner lengths, and that they do not present a metal-insulator transition when the chemical edge modifications are introduced. Our results also suggest that the band gap width for the CGNRs is predominantly governed by the armchair edge effects, and is tunable through edge modifications with foreign atoms dressing.

Come to the "Champagne Air": Changing Promotional Images of the Kansas Climate, 1854-1900

ERIC Educational Resources Information Center

De Bres, Karen

2003-01-01

Promotional materials, which portrayed the Kansas climate, resources, and landscape in optimistic tones, were a common medium used to smooth the rough edges of the physical environment to Euro-American settlers in the second half of the nineteenth century. This article examines promotional literature of that era and evaluates the strategies…

SEM technique for displaying the three-dimensional structure of wood

Treesearch

C.W. McMillin

1977-01-01

Samples of green Liriodendron tulipifera L. were bandsawed into l/4-inch cubes and boiled in water for 1 hour. Smooth intersecting radial, tangential, and transverse surfaces were prepared with a handheld, single-edge razor blade. After drying, the cubes were affixed to stubs so that the intersection point of the three sectioned surfaces was...

SEM technique for displaying the three-dimensional structure of wood

Treesearch

Charles W. McMillin

1977-01-01

Samples of green Liriodendron tulipifera L. were bandsawed into 1/4-inch cubes and boiled in water for 1 hour. Smooth intersecting radial, tangential, and transverse surfaces were prepared with a handheld, single-edge razor blade. After drying, the cubes were affixed to stubs so that the intersection point of the three sectioned surfaces was...

Flight control system development and flight test experience with the F-111 mission adaptive wing aircraft

NASA Technical Reports Server (NTRS)

Larson, R. R.

1986-01-01

The wing on the NASA F-111 transonic aircraft technology airplane was modified to provide flexible leading and trailing edge flaps. This wing is known as the mission adaptive wing (MAW) because aerodynamic efficiency can be maintained at all speeds. Unlike a conventional wing, the MAW has no spoilers, external flap hinges, or fairings to break the smooth contour. The leading edge flaps and three-segment trailing edge flaps are controlled by a redundant fly-by-wire control system that features a dual digital primary system architecture providing roll and symmetric commands to the MAW control surfaces. A segregated analog backup system is provided in the event of a primary system failure. This paper discusses the design, development, testing, qualification, and flight test experience of the MAW primary and backup flight control systems.

Dry etched SiO2 Mask for HgCdTe Etching Process

NASA Astrophysics Data System (ADS)

Chen, Y. Y.; Ye, Z. H.; Sun, C. H.; Deng, L. G.; Zhang, S.; Xing, W.; Hu, X. N.; Ding, R. J.; He, L.

2016-09-01

A highly anisotropic etching process with low etch-induced damage is indispensable for advanced HgCdTe (MCT) infrared focal plane array (IRFPA) detectors. The inductively coupled plasma (ICP) enhanced reactive ion etching technique has been widely adopted in manufacturing HgCdTe IRFPA devices. An accurately patterned mask with sharp edges is decisive to accomplish pattern duplication. It has been reported by our group that the SiO2 mask functions well in etching HgCdTe with high selectivity. However, the wet process in defining the SiO2 mask is limited by ambiguous edges and nonuniform patterns. In this report, we patterned SiO2 with a mature ICP etching technique, prior to which a thin ZnS film was deposited by thermal evaporation. The SiO2 film etching can be terminated at the auto-stopping point of the ZnS layer thanks to the high selectivity of SiO2/ZnS in SF6 based etchant. Consequently, MCT etching was directly performed without any other treatment. This mask showed acceptable profile due to the maturity of the SiO2 etching process. The well-defined SiO2 pattern and the etched smooth surfaces were investigated with scanning electron microscopy and atomic force microscope. This new mask process could transfer the patterns exactly with very small etch-bias. A cavity with aspect-ratio (AR) of 1.2 and root mean square roughness of 1.77 nm was achieved first, slightly higher AR of 1.67 was also get with better mask profile. This masking process ensures good uniformity and surely benefits the delineation of shrinking pixels with its high resolution.

Automated, on-board terrain analysis for precision landings

NASA Technical Reports Server (NTRS)

Rahman, Zia-ur; Jobson, Daniel J.; Woodell, Glenn A.; Hines, Glenn D.

2006-01-01

Advances in space robotics technology hinge to a large extent upon the development and deployment of sophisticated new vision-based methods for automated in-space mission operations and scientific survey. To this end, we have developed a new concept for automated terrain analysis that is based upon a generic image enhancement platform|multi-scale retinex (MSR) and visual servo (VS) processing. This pre-conditioning with the MSR and the vs produces a "canonical" visual representation that is largely independent of lighting variations, and exposure errors. Enhanced imagery is then processed with a biologically inspired two-channel edge detection process, followed by a smoothness based criteria for image segmentation. Landing sites can be automatically determined by examining the results of the smoothness-based segmentation which shows those areas in the image that surpass a minimum degree of smoothness. Though the msr has proven to be a very strong enhancement engine, the other elements of the approach|the vs, terrain map generation, and smoothness-based segmentation|are in early stages of development. Experimental results on data from the Mars Global Surveyor show that the imagery can be processed to automatically obtain smooth landing sites. In this paper, we describe the method used to obtain these landing sites, and also examine the smoothness criteria in terms of the imager and scene characteristics. Several examples of applying this method to simulated and real imagery are shown.

Relationship of mechanical characteristics and microstructural features to the time-dependent edge notch sensitivity of inconel 718 sheet

NASA Technical Reports Server (NTRS)

Wilson, D. J.

1971-01-01

Time-dependent notch sensitivity of Inconel 718 sheet was observed at 900 F to 1200 F (482 - 649 C). It occurred when edge-notched specimens were loaded below the yield strength and smooth specimen tests showed that small amounts of creep consumed large rupture life fractions. The severity of the notch sensitivity was reduced by decreasing the solution temperature, increasing the time and/or temperature of aging and increasing the test temperature to 1400 F (760 C). Elimination of time-dependent notch sensitivity correlated with a change in dislocation motion mechanism from shearing to by-passing precipitate particles.

Thermal control paints on LDEF: Results of M0003 sub-experiment 18

NASA Technical Reports Server (NTRS)

Jaggers, C. H.; Meshishnek, M. J.; Coggi, J. M.

1993-01-01

Several thermal control paints were flown on the Long Duration Exposure Facility (LDEF), including the white paints Chemglaze A276, S13GLO, and YB-71, and the black paint D-111. The effects of low earth orbit, which includes those induced by UV radiation and atomic oxygen, varied significantly with each paint and its location on LDEF. For example, samples of Chemglaze A276 located on the trailing edge of LDEF darkened significantly due to UV-induced degradation of the paint's binder, while leading edge samples remained white but exhibited severe atomic oxygen erosion of the binder. Although the response of S13GLO to low earth orbit is much more complicated, it also exhibited greater darkening on trailing edge samples as compared to leading edge samples. In contrast, YB-71 and D-111 remained relatively stable and showed minimal degradation. The performance of these paints as determined by changes in their optical and physical properties, including solar absorptance as well as surface chemical changes and changes in surface morphology is examined. It will also provide a correlation of these optical and physical property changes to the physical phenomena that occurred in these materials during the LDEF mission.

Spline-Based Smoothing of Airfoil Curvatures

NASA Technical Reports Server (NTRS)

Li, W.; Krist, S.

2008-01-01

Constrained fitting for airfoil curvature smoothing (CFACS) is a splinebased method of interpolating airfoil surface coordinates (and, concomitantly, airfoil thicknesses) between specified discrete design points so as to obtain smoothing of surface-curvature profiles in addition to basic smoothing of surfaces. CFACS was developed in recognition of the fact that the performance of a transonic airfoil is directly related to both the curvature profile and the smoothness of the airfoil surface. Older methods of interpolation of airfoil surfaces involve various compromises between smoothing of surfaces and exact fitting of surfaces to specified discrete design points. While some of the older methods take curvature profiles into account, they nevertheless sometimes yield unfavorable results, including curvature oscillations near end points and substantial deviations from desired leading-edge shapes. In CFACS as in most of the older methods, one seeks a compromise between smoothing and exact fitting. Unlike in the older methods, the airfoil surface is modified as little as possible from its original specified form and, instead, is smoothed in such a way that the curvature profile becomes a smooth fit of the curvature profile of the original airfoil specification. CFACS involves a combination of rigorous mathematical modeling and knowledge-based heuristics. Rigorous mathematical formulation provides assurance of removal of undesirable curvature oscillations with minimum modification of the airfoil geometry. Knowledge-based heuristics bridge the gap between theory and designers best practices. In CFACS, one of the measures of the deviation of an airfoil surface from smoothness is the sum of squares of the jumps in the third derivatives of a cubicspline interpolation of the airfoil data. This measure is incorporated into a formulation for minimizing an overall deviation- from-smoothness measure of the airfoil data within a specified fitting error tolerance. CFACS has been extensively tested on a number of supercritical airfoil data sets generated by inverse design and optimization computer programs. All of the smoothing results show that CFACS is able to generate unbiased smooth fits of curvature profiles, trading small modifications of geometry for increasing curvature smoothness by eliminating curvature oscillations and bumps (see figure).

Atomic Oxygen Textured Polymers

NASA Technical Reports Server (NTRS)

Banks, Bruce A.; Rutledge, Sharon K.; Hunt, Jason D.; Drobotij, Erin; Cales, Michael R.; Cantrell, Gidget

1995-01-01

Atomic oxygen can be used to microscopically alter the surface morphology of polymeric materials in space or in ground laboratory facilities. For polymeric materials whose sole oxidation products are volatile species, directed atomic oxygen reactions produce surfaces of microscopic cones. However, isotropic atomic oxygen exposure results in polymer surfaces covered with lower aspect ratio sharp-edged craters. Isotropic atomic oxygen plasma exposure of polymers typically causes a significant decrease in water contact angle as well as altered coefficient of static friction. Such surface alterations may be of benefit for industrial and biomedical applications. The results of atomic oxygen plasma exposure of thirty-three (33) different polymers are presented, including typical morphology changes, effects on water contact angle, and coefficient of static friction.

Ultra-cold 4He atom beams

NASA Astrophysics Data System (ADS)

Mulders, N.; Wyatt, A. F. G.

1994-02-01

It has been shown that it is possible to create ultra-cold 4He atom beams, using a metal film heater covered with a superfluid helium film. The transient behaviour of the atom pulse can be improved significantly by shaping of the heater pulse. The leading edge of more energetic atoms can be suppressed nearly completely, leaving a core of mono-energetic atoms. The maximum number of atoms in the pulse is determined by the amount of helium in the superfluid film on the heater. This seriously limits the ranges of pulse width and energy over which this beam source can be operated. However, these can be increased significantly by using porous gold smoke heaters.

Three-dimensional evaluation of gettering ability for oxygen atoms at small-angle tilt boundaries in Czochralski-grown silicon crystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ohno, Yutaka, E-mail: yutakaohno@imr.tohoku.ac.jp; Inoue, Kaihei; Fujiwara, Kozo

2015-06-22

Three-dimensional distribution of oxygen atoms at small-angle tilt boundaries (SATBs) in Czochralski-grown p-type silicon ingots was investigated by atom probe tomography combined with transmission electron microscopy. Oxygen gettering along edge dislocations composing SATBs, post crystal growth, was observed. The gettering ability of SATBs would depend both on the dislocation strain and on the dislocation density. Oxygen atoms would agglomerate in the atomic sites under the tensile hydrostatic stress larger than about 2.0 GPa induced by the dislocations. It was suggested that the density of the atomic sites, depending on the tilt angle of SATBs, determined the gettering ability of SATBs.

Crystal growth of Bi{sub 2}Te{sub 3} and noble cleaved (0001) surface properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Atuchin, V.V., E-mail: atuchin@thermo.isp.nsc.ru; Functional Electronics Laboratory, Tomsk State University, Tomsk 634050; Golyashov, V.A.

2016-04-15

A high quality Bi{sub 2}Te{sub 3} crystal has been grown by Bridgman method with the use of rotating heat field. The phase purity and bulk structural quality of the crystal have been verified by XRD analysis and rocking curve observation. The atomically smooth Bi{sub 2}Te{sub 3}(0001) surface with an excellent crystallographic quality is formed by cleavage in the air. The chemical and microstructural properties of the surface have been evaluated with RHEED, AFM, STM, SE and XPS. The Bi{sub 2}Te{sub 3}(0001) cleaved surface is formed by atomically smooth terraces with the height of the elemental step of ~1.04±0.1 nm, asmore » estimated by AFM. There is no surface oxidation process detected over a month keeping in the air at normal conditions, as shown by comparative core level photoelectron spectroscopy. - Graphical abstract: A high quality Bi{sub 2}Te{sub 3} crystal has been grown by Bridgman method with the use of rotating heat field and the Bi{sub 2}Te{sub 3}(0001) cleaved surface has been evaluated with RHEED, AFM, STM, SE and XPS. - Highlights: • High-quality Bi{sub 2}Te{sub 3} crystal of 10 mm in diameter and 50 mm long have been grown. • The high-purity cleaved Bi{sub 2}Te{sub 3}(0001) surface has been evaluated by RHEED, AFM, STM and XPS methods. • The Bi{sub 2}Te{sub 3} surface covered by atomically smooth (0001) terraces is chemically stable for a long time.« less

Preferred site occupation of 3 d atoms in NixF e4 -xN (x =1 and 3) films revealed by x-ray absorption spectroscopy and magnetic circular dichroism

NASA Astrophysics Data System (ADS)

Takata, Fumiya; Ito, Keita; Takeda, Yukiharu; Saitoh, Yuji; Takanashi, Koki; Kimura, Akio; Suemasu, Takashi

2018-02-01

X-ray absorption spectroscopy (XAS) and x-ray magnetic circular dichroism measurements were performed at the Ni and Fe L2 ,3 absorption edges for N ixF e4 -xN (x =1 and 3) epitaxial films. Spectral line-shape analysis and element-specific magnetic moment evaluations are presented. Shoulders at approximately 2 eV above the Ni L2 ,3 main peaks in the XAS spectrum of N i3FeN were interpreted to originate from hybridization of orbitals between Ni 3 d at face-centered (II) sites and N 2 p at body-centered sites, while such features were missing in NiF e3N film. Similar shoulders were observed at Fe L2 ,3 edges in both films. These results indicate that the orbitals of Ni atoms did not hybridize with those of N atoms in the NiF e3N film. Hence, Ni atoms preferentially occupied corner (I) sites, where the hybridization was weak because of the relatively long distance between Ni at I sites and N atoms. The relatively large magnetic moment deduced from sum-rule analysis of NiF e3N also showed a good agreement with the presence of Ni atoms at I sites.

Adaptive-weighted Total Variation Minimization for Sparse Data toward Low-dose X-ray Computed Tomography Image Reconstruction

PubMed Central

Liu, Yan; Ma, Jianhua; Fan, Yi; Liang, Zhengrong

2012-01-01

Previous studies have shown that by minimizing the total variation (TV) of the to-be-estimated image with some data and other constraints, a piecewise-smooth X-ray computed tomography (CT) can be reconstructed from sparse-view projection data without introducing noticeable artifacts. However, due to the piecewise constant assumption for the image, a conventional TV minimization algorithm often suffers from over-smoothness on the edges of the resulting image. To mitigate this drawback, we present an adaptive-weighted TV (AwTV) minimization algorithm in this paper. The presented AwTV model is derived by considering the anisotropic edge property among neighboring image voxels, where the associated weights are expressed as an exponential function and can be adaptively adjusted by the local image-intensity gradient for the purpose of preserving the edge details. Inspired by the previously-reported TV-POCS (projection onto convex sets) implementation, a similar AwTV-POCS implementation was developed to minimize the AwTV subject to data and other constraints for the purpose of sparse-view low-dose CT image reconstruction. To evaluate the presented AwTV-POCS algorithm, both qualitative and quantitative studies were performed by computer simulations and phantom experiments. The results show that the presented AwTV-POCS algorithm can yield images with several noticeable gains, in terms of noise-resolution tradeoff plots and full width at half maximum values, as compared to the corresponding conventional TV-POCS algorithm. PMID:23154621

Adaptive-weighted total variation minimization for sparse data toward low-dose x-ray computed tomography image reconstruction.

PubMed

Liu, Yan; Ma, Jianhua; Fan, Yi; Liang, Zhengrong

2012-12-07

Previous studies have shown that by minimizing the total variation (TV) of the to-be-estimated image with some data and other constraints, piecewise-smooth x-ray computed tomography (CT) can be reconstructed from sparse-view projection data without introducing notable artifacts. However, due to the piecewise constant assumption for the image, a conventional TV minimization algorithm often suffers from over-smoothness on the edges of the resulting image. To mitigate this drawback, we present an adaptive-weighted TV (AwTV) minimization algorithm in this paper. The presented AwTV model is derived by considering the anisotropic edge property among neighboring image voxels, where the associated weights are expressed as an exponential function and can be adaptively adjusted by the local image-intensity gradient for the purpose of preserving the edge details. Inspired by the previously reported TV-POCS (projection onto convex sets) implementation, a similar AwTV-POCS implementation was developed to minimize the AwTV subject to data and other constraints for the purpose of sparse-view low-dose CT image reconstruction. To evaluate the presented AwTV-POCS algorithm, both qualitative and quantitative studies were performed by computer simulations and phantom experiments. The results show that the presented AwTV-POCS algorithm can yield images with several notable gains, in terms of noise-resolution tradeoff plots and full-width at half-maximum values, as compared to the corresponding conventional TV-POCS algorithm.

Polarization Dependent X-ray Absorption Spectroscopy of the TiO2 Polymorphs Anatase (001) and Rutile (001)

NASA Astrophysics Data System (ADS)

Ederer, D. L.; Ruzycki, N.; Schuler, T.; Zhang, G. P.; Callcott, T. A.; Nachimuthu, P.; Perera, R. C. C.

2002-03-01

Polarization Dependent X-ray Absorption Spectroscopy of the TiO2 Polymorphs Anatase (001) and Rutile (001) N. Ruzycki^a, T. Schuler^a, D.L. Ederer^a, T. A. Callcott^, G. P. Zhang^b, P. Nachimuthu^c,d, and R.C.C. Perera^c a-Tulane University, Department of Physics, New Orleans, LA, 70118 b- Univesity of Tennessee, Department of Physics and Astronomy, Knoxville, TN, 37996 c- Center for X-ray Optics, Lawrence Berkeley Laboratory, Berkeley, CA, d- Department of Chemistry, University of Nevada Las Vegas, Las Vegas NV, 89154 TiO2 is a useful industrial catalyst and has applications in gas sensing and photoelectric devices. All structures consist of octrahedrally-coordinated Ti atoms and three-fold coordinated O atoms. Anatase and rutile differ mainly in the amount of distortion in the octahedra. Because Soft X-ray Absorption Spectroscoy (SXAS) is sensitive to the ligand field, these small differences are reflected the spectra. In the experiment the electronic polarization vector was varied angulary along the equatorial and the longitudnal axes of the sixfold coordinated titanium atoms. This study showed a strong polarization dependence at the oxygen K-edge for rutile (001) and the anatase (001) in the t_2g and eg region for the equatorial bonds. The Titanium L-edge showed a smaller polarization dependence. There was no polarization dependence in the longitudinal direction for anatase (001) or rutile (001) in either the oxygen K-edge or the Ti-L edge. These data are compared with calculations of polarization-dependent matrix elements of the transitions.

X-ray absorption near edge structure/electron energy loss near edge structure calculation using the supercell orthogonalized linear combination of atomic orbitals method

NASA Astrophysics Data System (ADS)

Ching, Wai-Yim; Rulis, Paul

2009-03-01

Over the last eight years, a large number of x-ray absorption near edge structure (XANES) and/or electron energy loss near edge structure (ELNES) spectroscopic calculations for complex oxides and nitrides have been performed using the supercell-OLCAO (orthogonalized linear combination of atomic orbitals) method, obtaining results in very good agreement with experiments. The method takes into account the core-hole effect and includes the dipole matrix elements calculated from ab initio wavefunctions. In this paper, we describe the method in considerable detail, emphasizing the special advantages of this method for large complex systems. Selected results are reviewed and several hitherto unpublished results are also presented. These include the Y K edge of Y ions segregated to the core of a Σ31 grain boundary in alumina, O K edges of water molecules, C K edges in different types of single walled carbon nanotubes, and the Co K edge in the cyanocobalamin (vitamin B12) molecule. On the basis of these results, it is argued that the interpretation of specific features of the calculated XANES/ELNES edges is not simple for complex material systems because of the delocalized nature of the conduction band states. The long-standing notion of the 'fingerprinting' technique for spectral interpretation of experimental data is not tenable. A better approach is to fully characterize the structure under study, using either crystalline data or accurate ab initio modeling. Comparison between calculated XANES/ELNES spectra and available measurements enables us to ascertain the validity of the modeled structure. For complex crystals or structures, it is necessary to use the weighted sum of the spectra from structurally nonequivalent sites for comparison with the measured data. Future application of the supercell-OLCAO method to complex biomolecular systems is also discussed.

Graphene-edge dielectrophoretic tweezers for trapping of biomolecules.

PubMed

Barik, Avijit; Zhang, Yao; Grassi, Roberto; Nadappuram, Binoy Paulose; Edel, Joshua B; Low, Tony; Koester, Steven J; Oh, Sang-Hyun

2017-11-30

The many unique properties of graphene, such as the tunable optical, electrical, and plasmonic response make it ideally suited for applications such as biosensing. As with other surface-based biosensors, however, the performance is limited by the diffusive transport of target molecules to the surface. Here we show that atomically sharp edges of monolayer graphene can generate singular electrical field gradients for trapping biomolecules via dielectrophoresis. Graphene-edge dielectrophoresis pushes the physical limit of gradient-force-based trapping by creating atomically sharp tweezers. We have fabricated locally backgated devices with an 8-nm-thick HfO 2 dielectric layer and chemical-vapor-deposited graphene to generate 10× higher gradient forces as compared to metal electrodes. We further demonstrate near-100% position-controlled particle trapping at voltages as low as 0.45 V with nanodiamonds, nanobeads, and DNA from bulk solution within seconds. This trapping scheme can be seamlessly integrated with sensors utilizing graphene as well as other two-dimensional materials.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dey, Ritu; Ghosh, Joydeep; Chowdhuri, M. B.

Neutral particle behavior in Aditya tokamak, which has a circular poloidal ring limiter at one particular toroidal location, has been investigated using DEGAS2 code. The code is based on the calculation using Monte Carlo algorithms and is mainly used in tokamaks with divertor configuration. This code has been successfully implemented in Aditya tokamak with limiter configuration. The penetration of neutral hydrogen atom is studied with various atomic and molecular contributions and it is found that the maximum contribution comes from the dissociation processes. For the same, H α spectrum is also simulated which was matched with the experimental one. Themore » dominant contribution around 64% comes from molecular dissociation processes and neutral particle is generated by those processes have energy of ~ 2.0 eV. Furthermore, the variation of neutral hydrogen density and H α emissivity profile are analysed for various edge temperature profiles and found that there is not much changes in H α emission at the plasma edge with the variation of edge temperature (7 to 40 eV).« less

Spin-split silicon states at step edges of Si(553)-Au

NASA Astrophysics Data System (ADS)

Biedermann, K.; Regensburger, S.; Fauster, Th.; Himpsel, F. J.; Erwin, S. C.

2012-06-01

The quasi-one-dimensional Si(553)-Au surface is investigated with time-resolved two-photon photoemission and laser-based photoemission. Several occupied and unoccupied states inside and outside the bulk band gap of silicon were found near the center of the surface Brillouin zone. A nondispersing unoccupied state 0.62 eV above the Fermi level with a lifetime of 125 fs matches the spin-split silicon step-edge state predicted by density functional theory calculations. Two occupied bands can be associated with the bands calculated for nonpolarized step-edge atoms.

Silicon K-edge XANES spectra of silicate minerals

NASA Astrophysics Data System (ADS)

Li, Dien; Bancroft, G. M.; Fleet, M. E.; Feng, X. H.

1995-03-01

Silicon K-edge x-ray absorption near-edge structure (XANES) spectra of a selection of silicate and aluminosilicate minerals have been measured using synchrotron radiation (SR). The spectra are qualitatively interpreted based on MO calculation of the tetrahedral SiO{4/4-}cluster. The Si K-edge generally shifts to higher energy with increased polymerization of silicates by about 1.3 eV, but with considerable overlap for silicates of different polymerization types. The substitution of Al for Si shifts the Si K-edge to lower energy. The chemical shift of Si K-edge is also sensitive to cations in more distant atom shells; for example, the Si K-edge shifts to lower energy with the substitution of Al for Mg in octahedral sites. The shifts of the Si K-edge show weak correlation with average Si-O bond distance (dSi-O), Si-O bond valence (sSi-O) and distortion of SiO4 tetrahedra, due to the crystal structure complexity of silicate minerals and multiple factors effecting the x-ray absorption processes.

Temperature dependence of pre-edge features in Ti K-edge XANES spectra for ATiO₃ (A = Ca and Sr), A₂TiO₄ (A = Mg and Fe), TiO₂ rutile and TiO₂ anatase.

PubMed

Hiratoko, Tatsuya; Yoshiasa, Akira; Nakatani, Tomotaka; Okube, Maki; Nakatsuka, Akihiko; Sugiyama, Kazumasa

2013-07-01

XANES (X-ray absorption near-edge structure) spectra of the Ti K-edges of ATiO3 (A = Ca and Sr), A2TiO4 (A = Mg and Fe), TiO2 rutile and TiO2 anatase were measured in the temperature range 20-900 K. Ti atoms for all samples were located in TiO6 octahedral sites. The absorption intensity invariant point (AIIP) was found to be between the pre-edge and post-edge. After the AIIP, amplitudes damped due to Debye-Waller factor effects with temperature. Amplitudes in the pre-edge region increased with temperature normally by thermal vibration. Use of the AIIP peak intensity as a standard point enables a quantitative comparison of the intensity of the pre-edge peaks in various titanium compounds over a wide temperature range.

Towards ALD thin film stabilized single-atom Pd 1 catalysts

DOE Office of Scientific and Technical Information (OSTI.GOV)

Piernavieja-Hermida, Mar; Lu, Zheng; White, Anderson

Supported precious metal single-atom catalysts have shown interesting activity and selectivity in recent studies. However, agglomeration of these highly mobile mononuclear surface species can eliminate their unique catalytic properties. In this paper, we study a strategy for synthesizing thin film stabilized single-atom Pd 1 catalysts using atomic layer deposition (ALD). The thermal stability of the Pd 1 catalysts is significantly enhanced by creating a nanocavity thin film structure. In situ infrared spectroscopy and Pd K-edge X-ray absorption spectroscopy (XAS) revealed that the Pd 1 was anchored on the surface through chlorine sites. The thin film stabilized Pd 1 catalysts weremore » thermally stable under both oxidation and reduction conditions. The catalytic performance in the methanol decomposition reaction is found to depend on the thickness of protecting layers. While Pd 1 catalysts showed promising activity at low temperature in a methanol decomposition reaction, 14 cycle TiO 2 protected Pd 1 was less active at high temperature. Pd L 3 edge XAS indicated that the low reactivity compared with Pd nanoparticles is due to the strong adsorption of carbon monoxide even at 250 °C. Lastly, these results clearly show that the ALD nanocavities provide a basis for future design of single-atom catalysts that are highly efficient and stable.« less

Towards ALD thin film stabilized single-atom Pd 1 catalysts

DOE PAGES

Piernavieja-Hermida, Mar; Lu, Zheng; White, Anderson; ...

2016-07-27

Supported precious metal single-atom catalysts have shown interesting activity and selectivity in recent studies. However, agglomeration of these highly mobile mononuclear surface species can eliminate their unique catalytic properties. In this paper, we study a strategy for synthesizing thin film stabilized single-atom Pd 1 catalysts using atomic layer deposition (ALD). The thermal stability of the Pd 1 catalysts is significantly enhanced by creating a nanocavity thin film structure. In situ infrared spectroscopy and Pd K-edge X-ray absorption spectroscopy (XAS) revealed that the Pd 1 was anchored on the surface through chlorine sites. The thin film stabilized Pd 1 catalysts weremore » thermally stable under both oxidation and reduction conditions. The catalytic performance in the methanol decomposition reaction is found to depend on the thickness of protecting layers. While Pd 1 catalysts showed promising activity at low temperature in a methanol decomposition reaction, 14 cycle TiO 2 protected Pd 1 was less active at high temperature. Pd L 3 edge XAS indicated that the low reactivity compared with Pd nanoparticles is due to the strong adsorption of carbon monoxide even at 250 °C. Lastly, these results clearly show that the ALD nanocavities provide a basis for future design of single-atom catalysts that are highly efficient and stable.« less

Superradiance for Atoms Trapped along a Photonic Crystal Waveguide

NASA Astrophysics Data System (ADS)

Goban, A.; Hung, C.-L.; Hood, J. D.; Yu, S.-P.; Muniz, J. A.; Painter, O.; Kimble, H. J.

2015-08-01

We report observations of superradiance for atoms trapped in the near field of a photonic crystal waveguide (PCW). By fabricating the PCW with a band edge near the D1 transition of atomic cesium, strong interaction is achieved between trapped atoms and guided-mode photons. Following short-pulse excitation, we record the decay of guided-mode emission and find a superradiant emission rate scaling as Γ¯SR∝N ¯Γ1 D for average atom number 0.19 ≲N ¯≲2.6 atoms, where Γ1 D/Γ'=1.0 ±0.1 is the peak single-atom radiative decay rate into the PCW guided mode, and Γ' is the radiative decay rate into all the other channels. These advances provide new tools for investigations of photon-mediated atom-atom interactions in the many-body regime.

Alloy-assisted deposition of three-dimensional arrays of atomic gold catalyst for crystal growth studies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fang, Yin; Jiang, Yuanwen; Cherukara, Mathew J.

Large-scale assembly of individual atoms over smooth surfaces is difficult to achieve. A configuration of an atom reservoir, in which individual atoms can be readily extracted, may successfully address this challenge. In this work, we demonstrate that a liquid gold-silicon alloy established in classical vapor-liquid-solid growth can deposit ordered and three-dimensional rings of isolated gold atoms over silicon nanowire sidewalls. Here, we perform ab initio molecular dynamics simulation and unveil a surprising single atomic gold-catalyzed chemical etching of silicon. Experimental verification of this catalytic process in silicon nanowires yields dopant-dependent, massive and ordered 3D grooves with spacing down to similarmore » to 5 nm. Finally, we use these grooves as self-labeled and ex situ markers to resolve several complex silicon growths, including the formation of nodes, kinks, scale-like interfaces, and curved backbones.« less

Alloy-assisted deposition of three-dimensional arrays of atomic gold catalyst for crystal growth studies

DOE PAGES

Fang, Yin; Jiang, Yuanwen; Cherukara, Mathew J.; ...

2017-12-08

Large-scale assembly of individual atoms over smooth surfaces is difficult to achieve. A configuration of an atom reservoir, in which individual atoms can be readily extracted, may successfully address this challenge. In this work, we demonstrate that a liquid gold-silicon alloy established in classical vapor-liquid-solid growth can deposit ordered and three-dimensional rings of isolated gold atoms over silicon nanowire sidewalls. Here, we perform ab initio molecular dynamics simulation and unveil a surprising single atomic gold-catalyzed chemical etching of silicon. Experimental verification of this catalytic process in silicon nanowires yields dopant-dependent, massive and ordered 3D grooves with spacing down to similarmore » to 5 nm. Finally, we use these grooves as self-labeled and ex situ markers to resolve several complex silicon growths, including the formation of nodes, kinks, scale-like interfaces, and curved backbones.« less

Probing single magnon excitations in Sr₂IrO₄ using O K-edge resonant inelastic x-ray scattering.

PubMed

Liu, X; Dean, M P M; Liu, J; Chiuzbăian, S G; Jaouen, N; Nicolaou, A; Yin, W G; Rayan Serrao, C; Ramesh, R; Ding, H; Hill, J P

2015-05-27

Resonant inelastic x-ray scattering (RIXS) at the L-edge of transition metal elements is now commonly used to probe single magnon excitations. Here we show that single magnon excitations can also be measured with RIXS at the K-edge of the surrounding ligand atoms when the center heavy metal elements have strong spin-orbit coupling. This is demonstrated with oxygen K-edge RIXS experiments on the perovskite Sr2IrO4, where low energy peaks from single magnon excitations were observed. This new application of RIXS has excellent potential to be applied to a wide range of magnetic systems based on heavy elements, for which the L-edge RIXS energy resolution in the hard x-ray region is usually poor.

Atom-atom interactions around the band edge of a photonic crystal waveguide

NASA Astrophysics Data System (ADS)

Hood, Jonathan D.; Goban, Akihisa; Asenjo-Garcia, Ana; Lu, Mingwu; Yu, Su-Peng; Chang, Darrick E.; Kimble, H. J.

2016-09-01

Tailoring the interactions between quantum emitters and single photons constitutes one of the cornerstones of quantum optics. Coupling a quantum emitter to the band edge of a photonic crystal waveguide (PCW) provides a unique platform for tuning these interactions. In particular, the cross-over from propagating fields E(x)∝e±ikxxE(x)∝e±ikxx outside the bandgap to localized fields E(x)∝e-κx|x|E(x)∝e-κx|x| within the bandgap should be accompanied by a transition from largely dissipative atom-atom interactions to a regime where dispersive atom-atom interactions are dominant. Here, we experimentally observe this transition by shifting the band edge frequency of the PCW relative to the D1D1 line of atomic cesium for N¯=3.0±0.5N¯=3.0±0.5 atoms trapped along the PCW. Our results are the initial demonstration of this paradigm for coherent atom-atom interactions with low dissipation into the guided mode.

The use of C-near edge X-ray absorption fine structure spectroscopy for the elaboration of chemistry in lignocellulosics

Treesearch

Lucian A. Lucia; Hiroki Nanko; Alan W. Rudie; Doug G. Mancosky; Sue Wirick

2006-01-01

The research presented elucidates the oxidation chemistry occurring in hydrogen peroxide bleached kraft pulp fibers by employing carbon near edge x-ray absorption fine structure spectroscopy (C-NEXAFS). C-NEXAFS is a soft x-ray technique that selectively interrogates atomic moieties using photoelectrons (Xrays) of variable energies. The X1A beam line at the National...

Atomic cluster collisions

NASA Astrophysics Data System (ADS)

Korol, Andrey V.; Solov'yov, Andrey

2013-01-01

Atomic cluster collisions are a field of rapidly emerging research interest by both experimentalists and theorists. The international symposium on atomic cluster collisions (ISSAC) is the premier forum to present cutting-edge research in this field. It was established in 2003 and the most recent conference was held in Berlin, Germany in July of 2011. This Topical Issue presents original research results from some of the participants, who attended this conference. This issues specifically focuses on two research areas, namely Clusters and Fullerenes in External Fields and Nanoscale Insights in Radiation Biodamage.

Proceedings of the Third Annual Symposium on Mathematical Pattern Recognition and Image Analysis

NASA Technical Reports Server (NTRS)

Guseman, L. F., Jr.

1985-01-01

Topics addressed include: multivariate spline method; normal mixture analysis applied to remote sensing; image data analysis; classifications in spatially correlated environments; probability density functions; graphical nonparametric methods; subpixel registration analysis; hypothesis integration in image understanding systems; rectification of satellite scanner imagery; spatial variation in remotely sensed images; smooth multidimensional interpolation; and optimal frequency domain textural edge detection filters.

Computational Approaches to Image Understanding.

DTIC Science & Technology

1981-10-01

represnting points, edges, surfaces, and volumes to facilitate display. The geometry or perspective and parailcl (or orthographic) projection has...of making the image forming process explicit. This in turn leads to a concern with geometry , such as the properties f the gradient, stereographic, and...dual spaces. Combining geometry and smoothness leads naturally to multi-variate vector analysis, and to differential geometry . For the most part, a

Detail-enhanced multimodality medical image fusion based on gradient minimization smoothing filter and shearing filter.

PubMed

Liu, Xingbin; Mei, Wenbo; Du, Huiqian

2018-02-13

In this paper, a detail-enhanced multimodality medical image fusion algorithm is proposed by using proposed multi-scale joint decomposition framework (MJDF) and shearing filter (SF). The MJDF constructed with gradient minimization smoothing filter (GMSF) and Gaussian low-pass filter (GLF) is used to decompose source images into low-pass layers, edge layers, and detail layers at multiple scales. In order to highlight the detail information in the fused image, the edge layer and the detail layer in each scale are weighted combined into a detail-enhanced layer. As directional filter is effective in capturing salient information, so SF is applied to the detail-enhanced layer to extract geometrical features and obtain directional coefficients. Visual saliency map-based fusion rule is designed for fusing low-pass layers, and the sum of standard deviation is used as activity level measurement for directional coefficients fusion. The final fusion result is obtained by synthesizing the fused low-pass layers and directional coefficients. Experimental results show that the proposed method with shift-invariance, directional selectivity, and detail-enhanced property is efficient in preserving and enhancing detail information of multimodality medical images. Graphical abstract The detailed implementation of the proposed medical image fusion algorithm.

Theoretical effect of modifications to the upper surface of two NACA airfoils using smooth polynomial additional thickness distributions which emphasize leading edge profile and which vary quadratically at the trailing edge. [using flow equations and a CDC 7600 computer

NASA Technical Reports Server (NTRS)

Merz, A. W.; Hague, D. S.

1975-01-01

An investigation was conducted on a CDC 7600 digital computer to determine the effects of additional thickness distributions to the upper surface of the NACA 64-206 and 64 sub 1 - 212 airfoils. The additional thickness distribution had the form of a continuous mathematical function which disappears at both the leading edge and the trailing edge. The function behaves as a polynomial of order epsilon sub 1 at the leading edge, and a polynomial of order epsilon sub 2 at the trailing edge. Epsilon sub 2 is a constant and epsilon sub 1 is varied over a range of practical interest. The magnitude of the additional thickness, y, is a second input parameter, and the effect of varying epsilon sub 1 and y on the aerodynamic performance of the airfoil was investigated. Results were obtained at a Mach number of 0.2 with an angle-of-attack of 6 degrees on the basic airfoils, and all calculations employ the full potential flow equations for two dimensional flow. The relaxation method of Jameson was employed for solution of the potential flow equations.

Reflectivity around the gold L-edges of x-ray reflector of the soft x-ray telescope onboard ASTRO-H

NASA Astrophysics Data System (ADS)

Maeda, Yoshitomo; Kikuchi, Naomichi; Kurashima, Sho; Ishida, Manabu; Iizuka, Ryo; Hayashi, Takayuki; Okajima, Takashi; Matsumoto, Hironori; Mitsuishi, Ikuyuki; Saji, Shigetaka; Sato, Toshiki; Tachibana, Sasagu; Mori, Hideyuki; Christensen, Finn; Brejnholt, Nicolai; Nitta, Kiyofumi; Uruga, Tomoya

2016-07-01

We report the atomic scattering factor in the 11.2{15.4 keV for the ASTRO-H Soft X-ray Telescope (SXT)9 obtained in the ground based measurements. The large effective area of the SXT covers above 10 keV. In fact, the flight data show the spectra of the celestical objects in the hard X-ray band. In order to model the area, the reflectivity measurements in the 11.2{15.4 keV band with the energy pitch of 0.4 { 0.7 eV were made in the synchrotron beamline Spring-8 BL01B1. We obtained atomic scattering factors f1 and f2 by the curve fitting to the reflectivities of our witness sample. The edges associated with the gold's L-I, II, and III transitions are identified, of which the depths are found to be roughly 60% shallower than those expected from the Henke's atomic scattering factor.

Comparison of the Results of MISSE 6 Atomic Oxygen Erosion Yields of Layered Kapton H Films with Monte Carlo Computational Predictions

NASA Technical Reports Server (NTRS)

Banks, Bruce A.; Groh, Kim De; Kneubel, Christian A.

2014-01-01

A space experiment flown as part of the Materials International Space Station Experiment 6B (MISSE 6B) was designed to compare the atomic oxygen erosion yield (Ey) of layers of Kapton H polyimide with no spacers between layers with that of layers of Kapton H with spacers between layers. The results were compared to a solid Kapton H (DuPont, Wilmington, DE) sample. Monte Carlo computational modeling was performed to optimize atomic oxygen interaction parameter values to match the results of both the MISSE 6B multilayer experiment and the undercut erosion profile from a crack defect in an aluminized Kapton H sample flown on the Long Duration Exposure Facility (LDEF). The Monte Carlo modeling produced credible agreement with space results of increased Ey for all samples with spacers as well as predicting the space-observed enhancement in erosion near the edges of samples due to scattering from the beveled edges of the sample holders.

Adsorption of pentacene on (100) vicinal surfaces: role of coordination, surface chemistry and vdWs effects

NASA Astrophysics Data System (ADS)

Matos, Jeronimo; Kara, Abdelkader

2015-03-01

In contrast to low miller index surfaces, vicinal surfaces are characterized by steps and step edges that not only present an interesting atomic landscape for the adsorption organic molecules, but also a unique electronic structure resulting in part from the low coordinated atoms at the step edges. The adsorption of pentacene on the stepped (511), (711), (911) surfaces (respectively 3, 4 and 5-atom wide terraces) of Cu and Ag (coinage transition metals); Pt (reactive transition metal); and Ni (reactive, magnetic transition metal) are studied using density functional theory, in order to investigate the support effects arising from differing surface chemistry. We compare the adsorption energy, adsorption geometry and electronic structure predicted by the PBE functional with those obtained from one of the optimized vdW-DF methods: optB88-vdW. Work supported by the U.S. Department of Energy Basic Energy Science under Contract No. DE-FG02-11ER16243.

Reflectivity Around the Gold L-Edges of X-Ray Reflector of the Soft X-Ray Telescope Onboard ASTRO-H

NASA Technical Reports Server (NTRS)

Maeda, Yoshitomo; Kikuchi, Naomichi; Kurashima, Sho; Ishida, Manabu; Iizuka, Ryo; Hayashi, Takayuki; Okajima, Takashi; Matsumoto, Hironori; Mitsuishi, Ikuyuki; Saji, Shigetaka;

Photoabsorption of the molecular IH cation at the iodine 3 d absorption edge

NASA Astrophysics Data System (ADS)

Klumpp, Stephan; Guda, Alexander A.; Schubert, Kaja; Mertens, Karolin; Hellhund, Jonas; Müller, Alfred; Schippers, Stefan; Bari, Sadia; Martins, Michael

2018-03-01

Yields of atomic iodine Iq + (q ≥2 ) fragments resulting from photoexcitation and photoionization of the target ions IH+ and I+ have been measured in the photon-energy range 610-680 eV, which comprises the thresholds for iodine 3 d ionization. The measured ion-yield spectra show two strong and broad resonance features due to the excitation of the 3 d3 /2 ,5 /2 electrons into ɛ f states rather similar for both parent ions. In the 3 d pre-edge range, excitations into (n p π ) -like orbitals and into an additional σ* orbital are found for IH+, which have been identified by comparison of the atomic I+ and molecular IH+ data and with the help of (time-dependent) density functional theory (DFT) and atomic Hartree-Fock calculations. The (5 p π ) orbital is almost atomlike, whereas all other resonances of the IH+ primary ion show a more pronounced molecular character, which is deduced from the chemical shifts of the resonances and the theoretical analysis.

An investigation of rooftop STOL port aerodynamics

NASA Technical Reports Server (NTRS)

Blanton, J. N.; Parker, H. M.

1972-01-01

An investigation into aerodynamic problems associated with large building rooftop STOLports was performed. Initially, a qualitative flow visualization study indicated two essential problems: (1) the establishment of smooth, steady, attached flow over the rooftop, and (2) the generation of acceptable crosswind profile once (1) has been achieved. This study indicated that (1) could be achieved by attaching circular-arc rounded edge extensions to the upper edges of the building and that crosswind profiles could be modified by the addition of porous vertical fences to the lateral edges of the rooftop. Important fence parameters associated with crosswind alteration were found to be solidity, fence element number and spacing. Large scale building induced velocity fluctuations were discovered for most configurations tested and a possible explanation for their occurrence was postulated. Finally, a simple equation relating fence solidity to the resulting velocity profile was developed and tested for non-uniform single element fences with 30 percent maximum solidity.

Surface mass diffusion over an extended temperature range on Pt(111)

NASA Astrophysics Data System (ADS)

Rajappan, M.; Swiech, W.; Ondrejcek, M.; Flynn, C. P.

2007-06-01

Surface mass diffusion is investigated on Pt(111) at temperatures in the range 710-1220 K. This greatly extends the range over which diffusion is known from step fluctuation spectroscopy (SFS). In the present research, a beam of Pt- self-ions is employed to create a suitable structure on step edges. The surface mass diffusion coefficients then follow from the decay of Fourier components observed by low-energy electron microscopy (LEEM) at selected annealing temperatures. The results agree with SFS values where they overlap, and continue smoothly to low temperature. This makes it unlikely that diffusion along step edges plays a major role in step edge relaxation through the temperature range studied. The surface mass diffusion coefficient for the range 710-1520 K deduced from the present work, together with previous SFS data, is Ds = 4 × 10-3 exp(-1.47 eV/kBT) cm2 s-1.

Combining retraction edge lithography and plasma etching for arbitrary contour nanoridge fabrication

NASA Astrophysics Data System (ADS)

Zhao, Yiping; Jansen, Henri; de Boer, Meint; Berenschot, Erwin; Bouwes, Dominique; Gironès, Miriam; Huskens, Jurriaan; Tas, Niels

2010-09-01

Edge lithography in combination with fluorine-based plasma etching is employed to avoid the dependence on crystal orientation in single crystal silicon to create monolithic nanoridges with arbitrary contours. This is demonstrated by using a mask with circular structures and Si etching at cryogenic temperature with SF6+O2 plasma mixtures. Initially, the explored etch recipe was used with Cr as the masking material. Although nanoridges with perfect vertical sidewalls have been achieved, Cr causes severe sidewall roughness due to line edge roughness. Therefore, an SU-8 polymer is used instead. Although the SU-8 pattern definition needs further improvement, we demonstrate the possibility of fabricating Si nanoridges of arbitrary contours providing a width below 50 nm and a height between 25 and 500 nm with smooth surface finish. Artifacts in the ridge profile are observed and are mainly caused by the bird's beak phenomenon which is characteristic for the used LOCOS process.

Feather roughness reduces flow separation during low Reynolds number glides of swifts.

PubMed

van Bokhorst, Evelien; de Kat, Roeland; Elsinga, Gerrit E; Lentink, David

2015-10-01

Swifts are aerodynamically sophisticated birds with a small arm and large hand wing that provides them with exquisite control over their glide performance. However, their hand wings have a seemingly unsophisticated surface roughness that is poised to disturb flow. This roughness of about 2% chord length is formed by the valleys and ridges of overlapping primary feathers with thick protruding rachides, which make the wing stiffer. An earlier flow study of laminar-turbulent boundary layer transition over prepared swift wings suggested that swifts can attain laminar flow at a low angle of attack. In contrast, aerodynamic design theory suggests that airfoils must be extremely smooth to attain such laminar flow. In hummingbirds, which have similarly rough wings, flow measurements on a 3D printed model suggest that the flow separates at the leading edge and becomes turbulent well above the rachis bumps in a detached shear layer. The aerodynamic function of wing roughness in small birds is, therefore, not fully understood. Here, we performed particle image velocimetry and force measurements to compare smooth versus rough 3D-printed models of the swift hand wing. The high-resolution boundary layer measurements show that the flow over rough wings is indeed laminar at a low angle of attack and a low Reynolds number, but becomes turbulent at higher values. In contrast, the boundary layer over the smooth wing forms open laminar separation bubbles that extend beyond the trailing edge. The boundary layer dynamics of the smooth surface varies non-linearly as a function of angle of attack and Reynolds number, whereas the rough surface boasts more consistent turbulent boundary layer dynamics. Comparison of the corresponding drag values, lift values and glide ratios suggests, however, that glide performance is equivalent. The increased structural performance, boundary layer robustness and equivalent aerodynamic performance of rough wings might have provided small (proto) birds with an evolutionary window to high glide performance. © 2015. Published by The Company of Biologists Ltd.

Design and Analysis of Bionic Cutting Blades Using Finite Element Method.

PubMed

Li, Mo; Yang, Yuwang; Guo, Li; Chen, Donghui; Sun, Hongliang; Tong, Jin

2015-01-01

Praying mantis is one of the most efficient predators in insect world, which has a pair of powerful tools, two sharp and strong forelegs. Its femur and tibia are both armed with a double row of strong spines along their posterior edges which can firmly grasp the prey, when the femur and tibia fold on each other in capturing. These spines are so sharp that they can easily and quickly cut into the prey. The geometrical characteristic of the praying mantis's foreleg, especially its tibia, has important reference value for the design of agricultural soil-cutting tools. Learning from the profile and arrangement of these spines, cutting blades with tooth profile were designed in this work. Two different sizes of tooth structure and arrangement were utilized in the design on the cutting edge. A conventional smooth-edge blade was used to compare with the bionic serrate-edge blades. To compare the working efficiency of conventional blade and bionic blades, 3D finite element simulation analysis and experimental measurement were operated in present work. Both the simulation and experimental results indicated that the bionic serrate-edge blades showed better performance in cutting efficiency.

Design and Analysis of Bionic Cutting Blades Using Finite Element Method

PubMed Central

Li, Mo; Yang, Yuwang; Guo, Li; Chen, Donghui; Sun, Hongliang; Tong, Jin

2015-01-01

Praying mantis is one of the most efficient predators in insect world, which has a pair of powerful tools, two sharp and strong forelegs. Its femur and tibia are both armed with a double row of strong spines along their posterior edges which can firmly grasp the prey, when the femur and tibia fold on each other in capturing. These spines are so sharp that they can easily and quickly cut into the prey. The geometrical characteristic of the praying mantis's foreleg, especially its tibia, has important reference value for the design of agricultural soil-cutting tools. Learning from the profile and arrangement of these spines, cutting blades with tooth profile were designed in this work. Two different sizes of tooth structure and arrangement were utilized in the design on the cutting edge. A conventional smooth-edge blade was used to compare with the bionic serrate-edge blades. To compare the working efficiency of conventional blade and bionic blades, 3D finite element simulation analysis and experimental measurement were operated in present work. Both the simulation and experimental results indicated that the bionic serrate-edge blades showed better performance in cutting efficiency. PMID:27019583

Effect of leading-edge geometry on boundary-layer receptivity to freestream sound

NASA Technical Reports Server (NTRS)

Lin, Nay; Reed, Helen L.; Saric, W. S.

1991-01-01

The receptivity to freestream sound of the laminar boundary layer over a semi-infinite flat plate with an elliptic leading edge is simulated numerically. The incompressible flow past the flat plate is computed by solving the full Navier-Stokes equations in general curvilinear coordinates. A finite-difference method which is second-order accurate in space and time is used. Spatial and temporal developments of the Tollmien-Schlichting wave in the boundary layer, due to small-amplitude time-harmonic oscillations of the freestream velocity that closely simulate a sound wave travelling parallel to the plate, are observed. The effect of leading-edge curvature is studied by varying the aspect ratio of the ellipse. The boundary layer over the flat plate with a sharper leading edge is found to be less receptive. The relative contribution of the discontinuity in curvature at the ellipse-flat-plate juncture to receptivity is investigated by smoothing the juncture with a polynomial. Continuous curvature leads to less receptivity. A new geometry of the leading edge, a modified super ellipse, which provides continuous curvature at the juncture with the flat plate, is used to study the effect of continuous curvature and inherent pressure gradient on receptivity.

Stabilization and Structure of wave packets in Rydberg atoms ionized by a strong light field.

PubMed

Fedorov, M; Fedorov, S

1998-09-28

New features of the phenomenon of interference stabilization of Rydberg atoms are found to exist. The main of them are: (i) dynamical stabilization, which means that in case of pulses with a smooth envelope the time-dependent residual probability for an atom to survive in bound states remains almost constant in the middle part of a pulse (at the strongest fields); (ii) existence of the strong-field stabilization of the after-pulse residual probability in case of pulses longer than the classical Kepler period; and (iii) pulsation of the time-dependent Rydberg wave packet formed in the process of photoionization.

Effect of attochirp on attosecond streaking time delay in photoionization of atoms

NASA Astrophysics Data System (ADS)

Goldsmith, C.; Jaroń-Becker, A.; Becker, A.

2018-01-01

We present a theoretical analysis of the effect of the attochirp on the streaking time delay, intrinsic to photoionization of an atom by an attosecond laser pulse at extreme ultraviolet wavelengths superposed by a femtosecond streaking pulse. To this end, we determine the expectation value of the delay in a chirped pulse using a recently developed model formula. Results of our calculations show that the attochirp can be relevant for photoemission from the 3p shell in argon atom at frequencies near the Cooper minimum, while it is negligible if the photoionization cross section as a function of frequency varies smoothly.

Relating electronic and geometric structure of atomic layer deposited BaTiO 3 to its electrical properties

DOE PAGES

Torgersen, Jan; Acharya, Shinjita; Dadlani, Anup Lal; ...

2016-03-24

Atomic layer deposition allows the fabrication of BaTiO 3 (BTO) ultrathin films with tunable dielectric properties, which is a promising material for electronic and optical technology. Industrial applicability necessitates a better understanding of their atomic structure and corresponding properties. Through the use of element-specific X-ray absorption near edge structure (XANES) analysis, O K-edge of BTO as a function of cation composition and underlying substrate (RuO 2 and SiO 2) is revealed. By employing density functional theory and multiple scattering simulations, we analyze the distortions in BTO’s bonding environment captured by the XANES spectra. The spectral weight shifts to lower energymore » with increasing Ti content and provides an atomic scale (microscopic) explanation for the increase in leakage current density. Differences in film morphologies in the first few layers near substrate–film interfaces reveal BTO’s homogeneous growth on RuO 2 and its distorted growth on SiO 2. As a result, this work links structural changes to BTO thin-film properties and provides insight necessary for optimizing future BTO and other ternary metal oxide-based thin-film devices.« less

Analysis of pulsed-neutron powder diffraction patterns of the icosahedral quasicrystals Pd3Siu and AlCuLiMg (three alloys) as twinned cubic crystals with large units.

PubMed Central

Pauling, L

1991-01-01

The low-Q peaks on three pulsed-neutron powder patterns (total, U differential, and Pd differential) of the icosahedral quasicrystal Pd3SiU have been indexed on the basis of an assumed cubic structure of the crystals that by icosahedral twinning form the quasicrystal. The primitive unit cube is found to have edge length 56.20 A and to contain approximately 12,100 atoms. Similar analyses of pulsed-neutron patterns of Al55Cu10Li35, Al55Cu10Li30Mg5, and Al510Cu125Li235Mg130 give values of the cube edge length 58.3, 58.5, and 58.4 A, respectively, with approximately 11,650 atoms in the unit cube. It is suggested that the unit contains eight complexes in the beta-W positions, plus some small interstitial groups of atoms, with each complex consisting of a centered icosahedron of 13 clusters, each of 116 atoms with the icosahedral structure found in the body-centered cubic crystal Mg32(Al,Zn)49. PMID:11607201

Analysis of pulsed-neutron powder diffraction patterns of the icosahedral quasicrystals Pd3Siu and AlCuLiMg (three alloys) as twinned cubic crystals with large units.

PubMed

Pauling, L

1991-08-01

The low-Q peaks on three pulsed-neutron powder patterns (total, U differential, and Pd differential) of the icosahedral quasicrystal Pd3SiU have been indexed on the basis of an assumed cubic structure of the crystals that by icosahedral twinning form the quasicrystal. The primitive unit cube is found to have edge length 56.20 A and to contain approximately 12,100 atoms. Similar analyses of pulsed-neutron patterns of Al55Cu10Li35, Al55Cu10Li30Mg5, and Al510Cu125Li235Mg130 give values of the cube edge length 58.3, 58.5, and 58.4 A, respectively, with approximately 11,650 atoms in the unit cube. It is suggested that the unit contains eight complexes in the beta-W positions, plus some small interstitial groups of atoms, with each complex consisting of a centered icosahedron of 13 clusters, each of 116 atoms with the icosahedral structure found in the body-centered cubic crystal Mg32(Al,Zn)49.

Accelerating molecular Monte Carlo simulations using distance and orientation dependent energy tables: tuning from atomistic accuracy to smoothed “coarse-grained” models

PubMed Central

Lettieri, S.; Zuckerman, D.M.

2011-01-01

Typically, the most time consuming part of any atomistic molecular simulation is due to the repeated calculation of distances, energies and forces between pairs of atoms. However, many molecules contain nearly rigid multi-atom groups such as rings and other conjugated moieties, whose rigidity can be exploited to significantly speed up computations. The availability of GB-scale random-access memory (RAM) offers the possibility of tabulation (pre-calculation) of distance and orientation-dependent interactions among such rigid molecular bodies. Here, we perform an investigation of this energy tabulation approach for a fluid of atomistic – but rigid – benzene molecules at standard temperature and density. In particular, using O(1) GB of RAM, we construct an energy look-up table which encompasses the full range of allowed relative positions and orientations between a pair of whole molecules. We obtain a hardware-dependent speed-up of a factor of 24-50 as compared to an ordinary (“exact”) Monte Carlo simulation and find excellent agreement between energetic and structural properties. Second, we examine the somewhat reduced fidelity of results obtained using energy tables based on much less memory use. Third, the energy table serves as a convenient platform to explore potential energy smoothing techniques, akin to coarse-graining. Simulations with smoothed tables exhibit near atomistic accuracy while increasing diffusivity. The combined speed-up in sampling from tabulation and smoothing exceeds a factor of 100. For future applications greater speed-ups can be expected for larger rigid groups, such as those found in biomolecules. PMID:22120971

Overcoming Ehrlich-Schwöbel barrier in (1 1 1)A GaAs molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Ritzmann, Julian; Schott, Rüdiger; Gross, Katherine; Reuter, Dirk; Ludwig, Arne; Wieck, Andreas D.

2018-01-01

In this work, we first study the effect of different growth parameters on the molecular beam epitaxy (MBE) growth of GaAs layers on (1 1 1)A oriented substrates. After that we present a method for the MBE growth of atomically smooth layers by sequences of growth and annealing phases. The samples exhibit low surface roughness and good electrical properties shown by atomic force microscopy (AFM), scanning electron microscopy (SEM) and van-der-Pauw Hall measurements.

Pb chains on reconstructed Si(335) surface

NASA Astrophysics Data System (ADS)

Krawiec, Mariusz

2009-04-01

The structural and electronic properties of Si(335)-Au surface decorated with Pb atoms are studied by means of density-functional theory. The resulting structural model features Pb atoms bonded to neighboring Si and Au surface atoms, forming monoatomic chain located 0.2 nm above the surface. The presence of Pb chain leads to a strong rebonding of Si atoms at the step edge. The fact that Pb atoms occupy positions in the middle of terrace is consistent with scanning tunneling microscopy (STM) data and also confirmed by simulated STM images. The calculated band structure clearly shows one-dimensional metallic character. The calculated electronic bands remain in very good agreement with photoemission data.

Atomic multiplets at the L2,3 edge of 3d transition metals and the ligand K edge in x-ray absorption spectroscopy of ionic systems

NASA Astrophysics Data System (ADS)

Olalde-Velasco, P.; Jiménez-Mier, J.; Denlinger, J.; Yang, W.-L.

2013-06-01

Experimental X-ray absorption spectra at the fluorine K and transition metal L2,3 absorption edges of the MF2 (M=Cr-Ni) family are presented. Ligand field calculations in D4h symmetry show very good agreement with the transition metal L2,3 XAS spectra. To successfully explain nominal Cr2+ L2,3 XAS spectrum in CrF2, the inclusion of Cr+ and Cr3+ was needed implying the presence of a disproportionation reaction. The multiplet calculations were then modified to remove the structure of the 2p hole in the calculated M 2p→3d absorption spectra. These results for the 3dn+1 states are in one to one correspondence with the leading edge structures found at the fluorine K edge. A direct comparison with the metal L2,3 edges also indicates that there is evidence of the metal multiplet at the fluorine K pre-edge structures.

Robustness of topological Hall effect of nontrivial spin textures

NASA Astrophysics Data System (ADS)

Jalil, Mansoor B. A.; Tan, Seng Ghee

2014-05-01

We analyze the topological Hall conductivity (THC) of topologically nontrivial spin textures like magnetic vortices and skyrmions and investigate its possible application in the readback for magnetic memory based on those spin textures. Under adiabatic conditions, such spin textures would theoretically yield quantized THC values, which are related to topological invariants such as the winding number and polarity, and as such are insensitive to fluctuations and smooth deformations. However, in a practical setting, the finite size of spin texture elements and the influence of edges may cause them to deviate from their ideal configurations. We calculate the degree of robustness of the THC output in practical magnetic memories in the presence of edge and finite size effects.

The effect of leveling coatings on the atomic oxygen durability of solar concentrator surfaces

NASA Technical Reports Server (NTRS)

Degroh, Kim K.; Dever, Therese M.; Quinn, William F.

1990-01-01

Space power systems for Space Station Freedom will be exposed to the harsh environment of low earth orbit (LEO). Neutral atomic oxygen is the major constituent in LEO and has the potential of severely reducing the efficiency of solar dynamic power systems through degradation of the concentrator surfaces. Several transparent dielectric thin films have been found to provide atomic oxygen protection, but atomic oxygen undercutting at inherent defect sites is still a threat to solar dynamic power system survivability. Leveling coatings smooth microscopically rough surfaces, thus eliminating potential defect sites prone to oxidation attack on concentrator surfaces. The ability of leveling coatings to improve the atomic oxygen durability of concentrator surfaces was investigated. The application of a EPO-TEK 377 epoxy leveling coating on a graphite epoxy substrate resulted in an increase in solar specular reflectance, a decrease in the atomic oxygen defect density by an order of magnitude and a corresponding order of magnitude decrease in the percent loss of specular reflectance during atomic oxygen plasma ashing.

Low temperature specific heat of frustrated antiferromagnet HoInCu4

NASA Astrophysics Data System (ADS)

Weickert, Franziska; Fritsch, Veronika; Bambaugh, Ryan; Sarrao, John; Thompson, Joe D.; Movshovich, Roman

2014-03-01

We present low temperature specific heat measurements of single crystal HoInCu4, down to 35 mK and in magnetic field up to 12 Tesla. Ho atoms are arranged in an FCC lattice of the edge-sharing tetrahedra, and undergo an antiferromagnetic ordering at TN = 0.76 K, with the frustration parameter f = -ΘCW /TN of 14.3. Magnetic AF order is suppressed in field H0 ~ 4 T. The low temperature Schottky anomaly due to Ho evolves smoothly as a function of field through H0 and TN. The peak value of the anomaly remains roughly constant from 0 T to 12 T. The temperature of the anomaly's peak remains constant at TSch ~ 170 mK for H

Electron-beam lithography with character projection exposure for throughput enhancement with line-edge quality optimization

NASA Astrophysics Data System (ADS)

Ikeno, Rimon; Maruyama, Satoshi; Mita, Yoshio; Ikeda, Makoto; Asada, Kunihiro

2016-03-01

Among various electron-beam lithography (EBL) techniques, variable-shaped beam (VSB) and character projection (CP) methods have attracted many EBL users for their high-throughput feature, but they are considered to be more suited to small-featured VLSI fabrication with regularly-arranged layouts like standard-cell logics and memory arrays. On the other hand, non-VLSI applications like photonics, MEMS, MOEMS, and so on, have not been fully utilized the benefit of CP method due to their wide variety of layout patterns. In addition, the stepwise edge shapes by VSB method often causes intolerable edge roughness to degrade device characteristics from its intended performance with smooth edges. We proposed an overall EBL methodology applicable to wade-variety of EBL applications utilizing VSB and CP methods. Its key idea is in our layout data conversion algorithm that decomposes curved or oblique edges of arbitrary layout patterns into CP shots. We expect significant reduction in EB shot count with a CP-bordered exposure data compared to the corresponding VSB-alone conversion result. Several CP conversion parameters are used to optimize EB exposure throughput, edge quality, and resultant device characteristics. We demonstrated out methodology using the leading-edge VSB/CP EBL tool, ADVANTEST F7000S-VD02, with high resolution Hydrogen Silsesquioxane (HSQ) resist. Through our experiments of curved and oblique edge lithography under various data conversion conditions, we learned correspondence of the conversion parameters to the resultant edge roughness and other conditions. They will be utilized as the fundamental data for further enhancement of our EBL strategy for optimized EB exposure.

Edge reconstruction in armchair phosphorene nanoribbons revealed by discontinuous Galerkin density functional theory.

PubMed

Hu, Wei; Lin, Lin; Yang, Chao

2015-12-21

With the help of our recently developed massively parallel DGDFT (Discontinuous Galerkin Density Functional Theory) methodology, we perform large-scale Kohn-Sham density functional theory calculations on phosphorene nanoribbons with armchair edges (ACPNRs) containing a few thousands to ten thousand atoms. The use of DGDFT allows us to systematically achieve a conventional plane wave basis set type of accuracy, but with a much smaller number (about 15) of adaptive local basis (ALB) functions per atom for this system. The relatively small number of degrees of freedom required to represent the Kohn-Sham Hamiltonian, together with the use of the pole expansion the selected inversion (PEXSI) technique that circumvents the need to diagonalize the Hamiltonian, results in a highly efficient and scalable computational scheme for analyzing the electronic structures of ACPNRs as well as their dynamics. The total wall clock time for calculating the electronic structures of large-scale ACPNRs containing 1080-10,800 atoms is only 10-25 s per self-consistent field (SCF) iteration, with accuracy fully comparable to that obtained from conventional planewave DFT calculations. For the ACPNR system, we observe that the DGDFT methodology can scale to 5000-50,000 processors. We use DGDFT based ab initio molecular dynamics (AIMD) calculations to study the thermodynamic stability of ACPNRs. Our calculations reveal that a 2 × 1 edge reconstruction appears in ACPNRs at room temperature.

Effects of adsorbed pyridine derivatives and ultrathin atomic-layer-deposited alumina coatings on the conduction band-edge energy of TiO2 and on redox-shuttle-derived dark currents.

PubMed

Katz, Michael J; Vermeer, Michael J D; Farha, Omar K; Pellin, Michael J; Hupp, Joseph T

2013-01-15

Both the adsorption of t-butylpyridine and the atomic-layer deposition of ultrathin conformal coatings of insulators (such as alumina) are known to boost open-circuit photovoltages substantially for dye-sensitized solar cells. One attractive interpretation is that these modifiers significantly shift the conduction-edge energy of the electrode, thereby shifting the onset potential for dark current arising from the interception of injected electrons by solution-phase redox shuttle components such as Co(phenanthroline)(3)(3+) and triiodide. For standard, high-area, nanoporous photoelectrodes, band-edge energies are difficult to measure directly. In contrast, for flat electrodes they are readily accessible from Mott-Schottky analyses of impedance data. Using such electrodes (specifically TiO(2)), we find that neither organic nor inorganic electrode-surface modifiers shift the conduction-band-edge energy sufficiently to account fully for the beneficial effects on electrode behavior (i.e., the suppression of dark current). Additional experiments reveal that the efficacy of ultrathin coatings of Al(2)O(3) arises chiefly from the passivation of redox-catalytic surface states. In contrast, adsorbed t-butylpyridine appears to suppress dark currents mainly by physically blocking access of shuttle molecules to the electrode surface. Studies with other derivatives of pyridine, including sterically and/or electronically diverse derivatives, show that heterocycle adsorption and the concomitant suppression of dark current does not require the coordination of surface Ti(IV) or Al(III) atoms. Notably, the favorable (i.e., negative) shifts in onset potential for the flow of dark current engendered by organic and inorganic surface modifiers are additive. Furthermore, they appear to be largely insensitive to the identity of shuttle molecules.

Effects of phonon broadening on x-ray near-edge spectra in molecular crystals

NASA Astrophysics Data System (ADS)

Vinson, John; Jach, Terrence; Elam, Tim; Denlinger, Jonathon

2014-03-01

Calculations of near-edge x-ray spectra are often carried out using the average atomic coordinates from x-ray or neutron scattering experiments or from density functional theory (DFT) energy minimization. This neglects disorder from thermal and zero-point vibrations. Here we look at the nitrogen K-edge of ammonium chloride and ammonium nitrate, comparing Bethe-Salpeter calculations of absorption and fluorescence to experiment. We find that intra-molecular vibrational effects lead to significant, non-uniform broadening of the spectra, and that for some features zero-point motion is the primary source of the observed shape.

X-ray absorption in insulators with non-Hermitian real-time time-dependent density functional theory.

PubMed

Fernando, Ranelka G; Balhoff, Mary C; Lopata, Kenneth

2015-02-10

Non-Hermitian real-time time-dependent density functional theory was used to compute the Si L-edge X-ray absorption spectrum of α-quartz using an embedded finite cluster model and atom-centered basis sets. Using tuned range-separated functionals and molecular orbital-based imaginary absorbing potentials, the excited states spanning the pre-edge to ∼20 eV above the ionization edge were obtained in good agreement with experimental data. This approach is generalizable to TDDFT studies of core-level spectroscopy and dynamics in a wide range of materials.

Novel visualization studies of lignocellulosic oxidation chemistry by application of C-near edge X-ray absorption fine structure spectroscopy

Treesearch

Douglas G. Mancosky; Lucian A. Lucia; Hiroki Nanko; Sue Wirick; Alan W. Rudie; Robert Braun

2005-01-01

The research presented herein is the first attempt to probe the chemical nature of lignocellulosic samples by the application of carbon near edge X-ray absorption fine structure spectroscopy (C-NEXAFS). C-NEXAFS is a soft X-ray technique that principally provides selective interrogation of discrete atomic moieties using photoelectrons of variable energies. The X1A beam...

Experimental and theoretical studies of dipole and quadrupole contributions to the vanadium K-edge XANES for VOPO4.2H2O xerogel

NASA Astrophysics Data System (ADS)

Poumellec, B.; Kraizman, V.; Aifa, Y.; Cortès, R.; Novakovich, A.; Vedrinskii, R.

1998-09-01

Angular dependence of the vanadium K-edge x-ray appearance near-edge structure (XANES) for the VOPO4.2H2O xerogel is thoroughly studied both experimentally and theoretically. The main attention is paid to the pre-edge fine structure (PEFS) of the spectra which was shown earlier to be a useful tool for the atomic short order investigations. Good quantitative agreement between theory and experiment obtained for both dipole and quadrupole contributions to the spectra proves validity of the calculation method developed and enables us to ascertain the nature of all the features in the PEFS's. The p-d mixture effect due to distortion of the central coordination octahedron and the quadrupole transitions are proved to be the only mechanisms responsible for the PEFS formation in the case considered. We show that in order to achieve quantitative agreement between experimental and theoretical spectra, it is necessary to include the effect of atomic vibrations, which makes the forbidden transitions to molecular orbitals of the central octahedron (MOCO's) dipole allowed, and to take into account deviation of the crystal layers from the substrate plane, which is not a single crystal but a texture.

3D Reconstruction of Coronary Artery Vascular Smooth Muscle Cells

PubMed Central

Luo, Tong; Chen, Huan; Kassab, Ghassan S.

2016-01-01

Aims The 3D geometry of individual vascular smooth muscle cells (VSMCs), which are essential for understanding the mechanical function of blood vessels, are currently not available. This paper introduces a new 3D segmentation algorithm to determine VSMC morphology and orientation. Methods and Results A total of 112 VSMCs from six porcine coronary arteries were used in the analysis. A 3D semi-automatic segmentation method was developed to reconstruct individual VSMCs from cell clumps as well as to extract the 3D geometry of VSMCs. A new edge blocking model was introduced to recognize cell boundary while an edge growing was developed for optimal interpolation and edge verification. The proposed methods were designed based on Region of Interest (ROI) selected by user and interactive responses of limited key edges. Enhanced cell boundary features were used to construct the cell’s initial boundary for further edge growing. A unified framework of morphological parameters (dimensions and orientations) was proposed for the 3D volume data. Virtual phantom was designed to validate the tilt angle measurements, while other parameters extracted from 3D segmentations were compared with manual measurements to assess the accuracy of the algorithm. The length, width and thickness of VSMCs were 62.9±14.9μm, 4.6±0.6μm and 6.2±1.8μm (mean±SD). In longitudinal-circumferential plane of blood vessel, VSMCs align off the circumferential direction with two mean angles of -19.4±9.3° and 10.9±4.7°, while an out-of-plane angle (i.e., radial tilt angle) was found to be 8±7.6° with median as 5.7°. Conclusions A 3D segmentation algorithm was developed to reconstruct individual VSMCs of blood vessel walls based on optical image stacks. The results were validated by a virtual phantom and manual measurement. The obtained 3D geometries can be utilized in mathematical models and leads a better understanding of vascular mechanical properties and function. PMID:26882342

Topological winding properties of spin edge states in the Kane-Mele graphene model

NASA Astrophysics Data System (ADS)

Wang, Zhigang; Hao, Ningning; Zhang, Ping

2009-09-01

We study the spin edge states in the quantum spin-Hall (QSH) effect on a single-atomic layer graphene-ribbon system with both intrinsic and Rashba spin-orbit couplings. The Harper equation for solving the energies of the spin edge states is derived. The results show that in the QSH phase, there are always two pairs of gapless spin-filtered edge states in the bulk energy gap, corresponding to two pairs of zero points of the Bloch function on the complex-energy Riemann surface (RS). The topological aspect of the QSH phase can be distinguished by the difference of the winding numbers of the spin edge states with different polarized directions cross the holes of the RS, which is equivalent to the Z2 topological invariance proposed by Kane and Mele [Phys. Rev. Lett. 95, 146802 (2005)].

Electronic and magnetic properties of MoSe2 armchair nanoribbons controlled by the different edge structures

NASA Astrophysics Data System (ADS)

Zhang, Hui; Zhao, Xu; Gao, Yonghui; Wang, Haiyang; Wang, Tianxing; Wei, Shuyi

2018-03-01

Tow-dimensional materials obviously have potential applications in next-generation nanodevices because of their extraordinary physical and chemical properties and the demands of the market. Using first-principle calculation based on density functional theory, we explore electronic and magnetic properties of the different nanoribbons with various edge structures, namely, with hydrogenation or not. In addition, we also calculate the binding energy to analyze the stability of the nanoribbon. Our calculations tell us that the passivated nanoribbons have the positive binding energies, which indicates the passivated nanoribbons are relative stable and hydrogenation can improve the stability of the bare nanoribbons due to the reduction of the dangling bonds. Among of them, full hydrogenation has the highest stability. We find all the nanoribbons with full and without hydrogenation are nonmagnetic semiconductors. It is worth mentioning that hydrogenation can induce the bare nanoribbons to transform gradually from indirect band gap semiconductor to direct band gap semiconductor, even to half-metal. In addition, the magnetic moment of the bare nanoribbon change bit by bit as the rate of hydrogenation increases. When the edge atoms are fully hydrogenated, the magnetic moment return to zero. What's more, our research results still confirm that electronic and magnetic properties of the nanorribons without and with different edge passivation are mainly contributed by the atoms at the edges. These studies about MoSe2 nanoribbons will shed light on the further development of the relevant nanodevices in versatile applications, such as spintronics and energy harvesting.

Electromagnetic confinement and movement of thin sheets of molten metal

DOEpatents

Lari, Robert J.; Praeg, Walter F.; Turner, Larry R.

1990-01-01

An apparatus capable of producing a combination of magnetic fields that can retain a metal in liquid form in a region having a smooth vertical boundary including a levitation magnet that produces low frequency magnetic field traveling waves to retain the metal and a stabilization magnet that produces a high frequency magnetic field to produce a smooth vertical boundary. As particularly adapted to the casting of solid metal sheets, a metal in liquid form can be continuously fed into one end of the confinement region produced by the levitation and stabilization magnets and removed in solid form from the other end of confinement region. An additional magnet may be included for support at the edges of the confinement region where eddy currents loop.

Surface reconstruction from scattered data through pruning of unstructured grids

NASA Technical Reports Server (NTRS)

Maksymiuk, C. M.; Merriam, M. L.

1991-01-01

This paper describes an algorithm for reconstructing a surface from a randomly digitized object. Scan data (treated as a cloud of points) is first tesselated out to its convex hull using Delaunay triangulation. The line-of-sight between each surface point and the scanning device is traversed, and any tetrahedra which are pierced by it are removed. The remaining tetrahedra form an approximate solid model of the scanned object. Due to the inherently limited resolution of any scan, this algorithm requires two additional procedures to produce a smooth, polyhedral surface: one process removes long, narrow tetrahedra which span indentations in the surface between digitized points; the other smooths sharp edges. The results for a moderately resolved sample body and a highly resolved aircraft are displayed.

Scaling analysis of the non-Abelian quasiparticle tunneling in [Formula: see text] FQH states.

PubMed

Li, Qi; Jiang, Na; Wan, Xin; Hu, Zi-Xiang

2018-06-27

Quasiparticle tunneling between two counter propagating edges through point contacts could provide information on its statistics. Previous study of the short distance tunneling displays a scaling behavior, especially in the conformal limit with zero tunneling distance. The scaling exponents for the non-Abelian quasiparticle tunneling exhibit some non-trivial behaviors. In this work, we revisit the quasiparticle tunneling amplitudes and their scaling behavior in a full range of the tunneling distance by putting the electrons on the surface of a cylinder. The edge-edge distance can be smoothly tuned by varying the aspect ratio for a finite size cylinder. We analyze the scaling behavior of the quasiparticles for the Read-Rezayi [Formula: see text] states for [Formula: see text] and 4 both in the short and long tunneling distance region. The finite size scaling analysis automatically gives us a critical length scale where the anomalous correction appears. We demonstrate this length scale is related to the size of the quasiparticle at which the backscattering between two counter propagating edges starts to be significant.

Density functional theory calculations for armchair stanene nanoribbons with fluorine and sulfur functionalization

NASA Astrophysics Data System (ADS)

Zhang, J.; Lang, X. Y.; Jiang, Q.

2018-07-01

A systematic density functional theory calculation has been carried out to study the effect of edge terminating of F and S elements with different edge natures on the structure and electronic properties of armchair stanene nanoribbons (ASnNRs). Moreover, the corresponding size (ribbon width Na) dependence on these properties is also considered. The energy gap was found to be oscillated as a function of Na and could be classified into three distinct groups of 3m, 3m + 1 and 3m + 2. In addition, the energy gaps of ASnNRs saturated by S atoms differ from that did by F and H atoms in vibration trends as well VBM and CBM changes, where the energy gap is a direct energy gap with a moderate size.

Sulfur K-edge XAS of WV=O vs. MoV=O Bis(dithiolene) Complexes: Contributions of Relativistic Effects to Electronic Structure and Reactivity of Tungsten Enzymes†

PubMed Central

Tenderholt, Adam L.; Szilagyi, Robert K.; Holm, Richard H.; Hodgson, Keith O.; Hedman, Britt; Solomon, Edward I.

2009-01-01

Molybdenum- or tungsten-containing enzymes catalyze oxygen atom transfer reactions involved in carbon, sulfur, or nitrogen metabolism. It has been observed that reduction potentials and oxygen atom transfer rates are different for W relative to Mo enzymes and the isostructural Mo/W complexes. Sulfur K-edge X-ray absorption spectroscopy (XAS) and density functional theory (DFT) calculations on [MoVO(bdt)2]− and [WVO(bdt)2]−, where bdt = benzene-1,2-dithiolate(2−), have been used to determine that the energies of the half-filled redox-active orbital, and thus the reduction potentials and M=O bond strengths, are different for these complexes due to relativistic effects in the W sites. PMID:17720249

Ab initio thermodynamics and kinetics for coalescence on nanoislands and nanopits on metal(100) surfaces

NASA Astrophysics Data System (ADS)

Evans, Jim; Han, Yong; Stoldt, Conrad; Thiel, Patricia

Coalescence or sintering of nanoscale features on metal(100) surfaces is mediated by periphery or edge diffusion. These processes are highly sensitive to the multiple diffusion barriers for various local edge environments. We provide an optimal strategy to determine both thermodynamics and kinetics for these systems at the ab initio level. The former requires assessing conventional interactions between adatoms at adsorption sites. The latter requires assessing unconventional interactions between the hopping atom at a bridge site transition state and other nearby atoms. KMC simulation reveals that this formulation recovers observed sintering times for Ag nanoislands on Ag(100), including a novel size dependence. The formulation also applies for nanopits where there are additional challenges to capture kinetics. Work supported by NSF Grant CHE-1507223.

Electronic and magnetic properties of bare armchair BC2N nanoribbons

NASA Astrophysics Data System (ADS)

Li, Hong; Xiao, Xiang; Tie, Jun; Lu, Jing

2017-03-01

We present the electronic and magnetic properties of bare armchair BC2N nanoribbons (ABC2NNRs) in the view of density functional calculations. We consider three types of edge terminations with a width of 0.75 2.10 nm. All the investigated ribbons exhibit magnetic ground states with the magnetic moments mainly located on the edge C atoms. Room temperature accessible magnetic stabilities are obtained for ABC2NNRs with NC-NC and NC-BC edge alignments. We find the ABC2NNRs have various electronic structures, where half-metal, metal, and semiconductor are all acquired depend on the edge alignment and magnetic coupling state. The results show the ABC2NNRs can be a promising candidate material in nanoelectronics and nanospintronics.

ARC-1962-A-29657-1

NASA Image and Video Library

1962-08-14

Ryan VZ-3RY over Ames in slow-speed flight. Smooth airflow over entire wing is indicated by tufts when wing had been modified to incorporate leading-edge slats. Tests showed that it could be flown at speeds as low as 6 knots when out of ground effect (which increases lift). April 1963 published in NASA SP-2002-4525 Memoirs of a Flight test Engineer (Seth Anderson)

Fast localized orthonormal virtual orbitals which depend smoothly on nuclear coordinates.

PubMed

Subotnik, Joseph E; Dutoi, Anthony D; Head-Gordon, Martin

2005-09-15

We present here an algorithm for computing stable, well-defined localized orthonormal virtual orbitals which depend smoothly on nuclear coordinates. The algorithm is very fast, limited only by diagonalization of two matrices with dimension the size of the number of virtual orbitals. Furthermore, we require no more than quadratic (in the number of electrons) storage. The basic premise behind our algorithm is that one can decompose any given atomic-orbital (AO) vector space as a minimal basis space (which includes the occupied and valence virtual spaces) and a hard-virtual (HV) space (which includes everything else). The valence virtual space localizes easily with standard methods, while the hard-virtual space is constructed to be atom centered and automatically local. The orbitals presented here may be computed almost as quickly as projecting the AO basis onto the virtual space and are almost as local (according to orbital variance), while our orbitals are orthonormal (rather than redundant and nonorthogonal). We expect this algorithm to find use in local-correlation methods.

Lattice constant grading in the Al.sub.y Ca.sub.1-y As.sub.1-x Sb.sub.x alloy system

DOEpatents

Moon, Ronald L.

1981-01-01

Liquid phase epitaxy is employed to grow a lattice matched layer of GaAsSb on GaAs substrates through the compositional intermediary of the III-V alloy system AlGaAsSb which acts as a grading layer. The Al constituent reaches a peak atomic concentration of about 6% within the first 2.5.mu.m of the transition layer, then decreases smoothly to about 1% to obtain a lattice constant of 5.74 A. In the same interval the equilibrium concentration of Sb smoothly increases from 0 to about 9 atomic percent to form a surface on which a GaAsSb layer having the desired energy bandgap of 1.1 ev for one junction of an optimized dual junction photovoltaic device. The liquid phase epitaxy is accomplished with a step cooling procedure whereby dislocation defects are more uniformly distributed over the surface of the growing layer.

Lattice constant grading in the Al.sub.y Ga.sub.1-y As.sub.1-x Sb.sub.x alloy system

DOEpatents

Moon, Ronald L.

1980-01-01

Liquid phase epitaxy is employed to grow a lattice matched layer of GaAsSb on GaAs substrates through the compositional intermediary of the III-V alloy system AlGaAsSb which acts as a grading layer. The Al constituent reaches a peak atomic concentration of about 6% within the first 2.5 .mu.m of the transition layer, then decreases smoothly to about 1% to obtain a lattice constant of 5.74 A. In the same interval the equilibrium concentration of Sb smoothly increases from 0 to about 9 atomic percent to form a surface on which a GaAsSb layer having the desired energy bandgap of 1.1 ev for one junction of an optimized dual junction photolvoltaic device. The liquid phase epitaxy is accomplished with a step cooling procedure whereby dislocation defects are more uniformly distributed over the surface of growing layer.

Local structural and chemical ordering of nanosized Pt3±δCo probed by multiple-scattering x-ray absorption spectroscopy

NASA Astrophysics Data System (ADS)

Greco, Giorgia; Witkowska, Agnieszka; Principi, Emiliano; Minicucci, Marco; di Cicco, Andrea

2011-04-01

This work reports a detailed investigation of the local structure and chemical disorder of a Pt3±δCo thin film and Pt3±δCo nanoparticles. We have used a combination of techniques including x-ray absorption spectroscopy (XAS), x-ray diffraction (XRD), and high-resolution transmission electron microscopy (TEM). High-quality XAS spectra at the Co K edge and Pt L3 edge have been analyzed using double-edge multiple-scattering data analysis. Structural extended x-ray absorption fine structure (EXAFS) refinements have been performed accounting for the reduction of the coordination numbers and degeneracy of three-atom configurations, resulting from the measured size distribution and stoichiometry. The important effect of chemical ordering on pair and three-atom configurations has been studied using computer simulations based on a simple model accounting for substitutional disorder, defined by an order parameter s. It has been found that individual EXAFS signals related to the minority species (Co) are extremely sensitive to substitutional disorder so their intensities, especially those of the collinear three-atom configurations, can be used as a measure of the ordering level. The thin film has been found to be chemically disordered (s⩽0.4), in agreement with previous estimates. The Pt3±δCo nanoalloy has been found to be partially ordered (s=0.6±0.1) while the local structure around Co atoms is characterized by a higher level of structural disorder as compared to the bulk-like thin film. The robust approach for nanomaterial characterization used in this work combining different techniques can, in principle, be applied for structural refinements of any binary nanocrystalline functional system.

Investigation of neutral particle dynamics in Aditya tokamak plasma with DEGAS2 code

NASA Astrophysics Data System (ADS)

Dey, Ritu; Ghosh, Joydeep; Chowdhuri, M. B.; Manchanda, R.; Banerjee, S.; Ramaiya, N.; Sharma, Deepti; Srinivasan, R.; Stotler, D. P.; Aditya Team

2017-08-01

Neutral particle behavior in Aditya tokamak, which has a circular poloidal ring limiter at one particular toroidal location, has been investigated using DEGAS2 code. The code is based on the calculation using Monte Carlo algorithms and is mainly used in tokamaks with divertor configuration. This code has been successfully implemented in Aditya tokamak with limiter configuration. The penetration of neutral hydrogen atom is studied with various atomic and molecular contributions and it is found that the maximum contribution comes from the dissociation processes. For the same, H α spectrum is also simulated and matched with the experimental one. The dominant contribution around 64% comes from molecular dissociation processes and neutral particle is generated by those processes have energy of ~2.0 eV. Furthermore, the variation of neutral hydrogen density and H α emissivity profile are analysed for various edge temperature profiles and found that there is not much changes in H α emission at the plasma edge with the variation of edge temperature (7-40 eV).

Investigation of neutral particle dynamics in Aditya tokamak plasma with DEGAS2 code

DOE PAGES

Dey, Ritu; Ghosh, Joydeep; Chowdhuri, M. B.; ...

2017-06-09

Neutral particle behavior in Aditya tokamak, which has a circular poloidal ring limiter at one particular toroidal location, has been investigated using DEGAS2 code. The code is based on the calculation using Monte Carlo algorithms and is mainly used in tokamaks with divertor configuration. This code has been successfully implemented in Aditya tokamak with limiter configuration. The penetration of neutral hydrogen atom is studied with various atomic and molecular contributions and it is found that the maximum contribution comes from the dissociation processes. For the same, H α spectrum is also simulated which was matched with the experimental one. Themore » dominant contribution around 64% comes from molecular dissociation processes and neutral particle is generated by those processes have energy of ~ 2.0 eV. Furthermore, the variation of neutral hydrogen density and H α emissivity profile are analysed for various edge temperature profiles and found that there is not much changes in H α emission at the plasma edge with the variation of edge temperature (7 to 40 eV).« less

Structure of shock compressed model basaltic glass: Insights from O K-edge X-ray Raman scattering and high-resolution 27Al NMR spectroscopy

NASA Astrophysics Data System (ADS)

Lee, Sung Keun; Park, Sun Young; Kim, Hyo-Im; Tschauner, Oliver; Asimow, Paul; Bai, Ligang; Xiao, Yuming; Chow, Paul

2012-03-01

The detailed atomic structures of shock compressed basaltic glasses are not well understood. Here, we explore the structures of shock compressed silicate glass with a diopside-anorthite eutectic composition (Di64An36), a common Fe-free model basaltic composition, using oxygen K-edge X-ray Raman scattering and high- resolution 27Al solid-state NMR spectroscopy and report previously unknown details of shock-induced changes in the atomic configurations. A topologically driven densification of the Di64An36 glass is indicated by the increase in oxygen K-edge energy for the glass upon shock compression. The first experimental evidence of the increase in the fraction of highly coordinated Al in shock compressed glass is found in the 27Al NMR spectra. This unambiguous evidence of shock-induced changes in Al coordination environments provides atomistic insights into shock compression in basaltic glasses and allows us to microscopically constrain the magnitude of impact events or relevant processes involving natural basalts on Earth and planetary surfaces.

SEMICONDUCTOR TECHNOLOGY: GaAs surface wet cleaning by a novel treatment in revolving ultrasonic atomization solution

NASA Astrophysics Data System (ADS)

Zaijin, Li; Liming, Hu; Ye, Wang; Ye, Yang; Hangyu, Peng; Jinlong, Zhang; Li, Qin; Yun, Liu; Lijun, Wang

2010-03-01

A novel process for the wet cleaning of GaAs surface is presented. It is designed for technological simplicity and minimum damage generated within the GaAs surface. It combines GaAs cleaning with three conditions consisting of (1) removal of thermodynamically unstable species and (2) surface oxide layers must be completely removed after thermal cleaning, and (3) a smooth surface must be provided. Revolving ultrasonic atomization technology is adopted in the cleaning process. At first impurity removal is achieved by organic solvents; second NH4OH:H2O2:H2O = 1:1:10 solution and HCl: H2O2:H2O = 1:1:20 solution in succession to etch a very thin GaAs layer, the goal of the step is removing metallic contaminants and forming a very thin oxidation layer on the GaAs wafer surface; NH4OH:H2O = 1:5 solution is used as the removed oxide layers in the end. The effectiveness of the process is demonstrated by the operation of the GaAs wafer. Characterization of the oxide composition was carried out by X-ray photoelectron spectroscopy. Metal-contamination and surface morphology was observed by a total reflection X-ray fluorescence spectroscopy and atomic force microscope. The research results show that the cleaned surface is without contamination or metal contamination. Also, the GaAs substrates surface is very smooth for epitaxial growth using the rotary ultrasonic atomization technology.

Nanoscale mass conveyors

DOEpatents

Regan, Brian C [Oakland, CA; Aloni, Shaul [Albany, CA; Zettl, Alexander K [Kensington, CA

2008-03-11

A mass transport method and device for individually delivering chargeable atoms or molecules from source particles is disclosed. It comprises a channel; at least one source particle of chargeable material fixed to the surface of the channel at a position along its length; a means of heating the channel; and a means for applying an controllable electric field along the channel, whereby the device transports the atoms or molecules along the channel in response to applied electric field. In a preferred embodiment, the mass transport device will comprise a multiwalled carbon nanotube (MWNT), although other one dimensional structures may also be used. The MWNT or other structure acts as a channel for individual or small collections of atoms due to the atomic smoothness of the material. Also preferred is a source particle of a metal such as indium. The particles move by dissociation into small units, in some cases, individual atoms. The particles are preferably less than 100 nm in size.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tyson, T. A.; Gao, W.; Chen, Y. -S.

Solar cells based on hybrid perovskites have shown high efficiency while possessing simple processing methods. To gain a fundamental understanding of their properties on an atomic level, we investigate single crystals of CH 3NH 3PbI 3 with a narrow transition (~5 K) near 327 K. Temperature dependent structural measurements reveal a persistent tetragonal structure with smooth changes in the atomic displacement parameters (ADPs) on crossing T*. We show that the ADPs for I ions yield extended flat regions in the potential wells consistent with the measured large thermal expansion parameter. Molecular dynamics simulations reveal that this material exhibits significant asymmetriesmore » in the Pb-I pair distribution functions. We also show that the intrinsically enhanced freedom of motion of the iodine atoms enables large deformations. This flexibility (softness) of the atomic structure results in highly localized atomic relaxation about defects and hence accounts for both the high carrier mobility as well as the structural instability.« less

[Intrarenal smooth muscle: histology of a complex urodymamic machine].

PubMed

Arias, L F; Ortiz-Arango, N

2013-03-01

To know better the microscopic arrangement of the bundles of smooth muscle in the human renal parenchyma, their distribution and anatomical relationships, trying to make a reconstruction of this muscular system. Five adult human kidneys and one fetal kidney were processed "in toto" with cross sections every 300μm. In the histological sections we identify the smooth muscle fibers trying to determine its insertion, course and anatomical relationship with other structures of the kidney tissue. There are bundles of smooth muscle fibers of variable thickness parallel to the edges of the medullary pyramids, bundles that surrounding the medulla in a spiral course, and bundles that accompany arcuate vessels, the latter being the most abundant and easy to identify. These groups of muscle fibers do not have a precise or constant insertion site, their periodicity is not homogeneous and they are not a direct extension of the muscle of the renal pelvis, although some bundles are in contact with it. There are also unusual and inconstant small muscle fibers no associated to vessels in the interstitium of the cortex and, exceptionally, in the medulla. There is a complex microscopic system of smooth muscle fibers that partially surround the renal medulla and are related to renal pelvic muscles without a direct continuity with them. Although this small muscular system is under-recognized, could be very important in urodynamics. Copyright © 2012 AEU. Published by Elsevier Espana. All rights reserved.

The influence of coordination geometry and valency on the K-edge absorption near edge spectra of selected chromium compounds

NASA Astrophysics Data System (ADS)

Pantelouris, A.; Modrow, H.; Pantelouris, M.; Hormes, J.; Reinen, D.

2004-05-01

X-ray absorption spectra at the chromium K-edge are reported for a number of selected chromium compounds of known chemical structure. The spectra were obtained with use of synchrotron radiation available at the ELectron Stretcher Accelerator ELSA in Bonn. The compounds studied include the tetrahedrally coordinated compounds Ca 2Ge 0.8Cr 0.2O 4, Ba 2Ge 0.1Cr 0.9O 4, Sr 2CrO 4, Ca 2(PO 4) x(CrO 4) 1- xCl ( x=0.25,0.5), Ca 5(CrO 4) 3Cl, CrO 3, the octahedrally coordinated compounds Cr(II)-acetate, CrCl 3, CrF 3, Cr 2O 3, KCr(SO 4) 2 · 12H 2O, CrO 2 and cubic coordinated metallic chromium. In these compounds chromium exhibits a wide range of formal oxidation states (0 to VI). The absorption features in the near edge region are shown to be characteristic of the spatial environment of the absorbing atom. The occurrence of a single pre-edge line easily allows one to distinguish between tetrahedral and octahedral coordination geometry, whereas the energy position of the absorption edge is found to be very sensitive to the valency of the excited chromium atom. Calculations of the ionisation potential of Cr in different oxidation states using the non-relativistic Hartree-Fock method (Froese-Fischer) confirm that the ionisation limit shifts to higher energy with increasing Cr valency. More detailed information on the electronic structure of the different compounds is gained by real-space full multiple scattering calculations using the FEFF8 code.

Simulating Ru L3-edge X-ray Absorption Spectroscopy with Time-Dependent Density Functional Theory: Model Complexes and Electron Localization in Mixed-Valence Metal Dimers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Van Kuiken, Benjamin E.; Valiev, Marat; Daifuku, Stephanie L.

2013-05-01

Ruthenium L2,3-edge X-ray absorption (XA) spectroscopy probes transitions from core 2p orbitals to the 4d levels of the atom and is a powerful tool for interrogating the local electronic and molecular structure around the metal atom. However, a molecular-level interpretation of the Ru L2,3-edge spectral lineshapes is often complicated by spin–orbit coupling (SOC) and multiplet effects. In this study, we develop spin-free time-dependent density functional theory (TDDFT) as a viable and predictive tool to simulate the Ru L3-edge spectra. We successfully simulate and analyze the ground state Ru L3-edge XA spectra of a series of RuII and RuIII complexes: [Ru(NH3)6]2+/3+,more » [Ru(CN)6]4-/3-, [RuCl6]4-/3-, and the ground (1A1) and photoexcited (3MLCT) transient states of [Ru(bpy)3]2+ and Ru(dcbpy)2(NCS)2 (termed N3). The TDDFT simulations reproduce all the experimentally observed features in Ru L3-edge XA spectra. The advantage of using TDDFT to assign complicated Ru L3-edge spectra is illustrated by its ability to identify ligand specific charge transfer features in complex molecules. We conclude that the B3LYP functional is the most reliable functional for accurately predicting the location of charge transfer features in these spectra. Experimental and simulated Ru L3-edge XA spectra are presented for the transition metal mixed-valence dimers [(NC)5MII-CN-RuIII(NH3)5]- (where M = Fe or Ru) dissolved in water. We explore the spectral signatures of electron delocalization in Ru L3-edge XA spectroscopy and our simulations reveal that the inclusion of explicit solvent molecules is crucial for reproducing the experimentally determined valencies, highlighting the importance of the role of the solvent in transition metal charge transfer chemistry.« less

The edge-preservation multi-classifier relearning framework for the classification of high-resolution remotely sensed imagery

NASA Astrophysics Data System (ADS)

Han, Xiaopeng; Huang, Xin; Li, Jiayi; Li, Yansheng; Yang, Michael Ying; Gong, Jianya

2018-04-01

In recent years, the availability of high-resolution imagery has enabled more detailed observation of the Earth. However, it is imperative to simultaneously achieve accurate interpretation and preserve the spatial details for the classification of such high-resolution data. To this aim, we propose the edge-preservation multi-classifier relearning framework (EMRF). This multi-classifier framework is made up of support vector machine (SVM), random forest (RF), and sparse multinomial logistic regression via variable splitting and augmented Lagrangian (LORSAL) classifiers, considering their complementary characteristics. To better characterize complex scenes of remote sensing images, relearning based on landscape metrics is proposed, which iteratively quantizes both the landscape composition and spatial configuration by the use of the initial classification results. In addition, a novel tri-training strategy is proposed to solve the over-smoothing effect of relearning by means of automatic selection of training samples with low classification certainties, which always distribute in or near the edge areas. Finally, EMRF flexibly combines the strengths of relearning and tri-training via the classification certainties calculated by the probabilistic output of the respective classifiers. It should be noted that, in order to achieve an unbiased evaluation, we assessed the classification accuracy of the proposed framework using both edge and non-edge test samples. The experimental results obtained with four multispectral high-resolution images confirm the efficacy of the proposed framework, in terms of both edge and non-edge accuracy.

An evaluation of edge effects in nutritional accessibility and availability measures: a simulation study

PubMed Central

2010-01-01

Background This paper addresses the statistical use of accessibility and availability indices and the effect of study boundaries on these measures. The measures are evaluated via an extensive simulation based on cluster models for local outlet density. We define outlet to mean either food retail store (convenience store, supermarket, gas station) or restaurant (limited service or full service restaurants). We designed a simulation whereby a cluster outlet model is assumed in a large study window and an internal subset of that window is constructed. We performed simulations on various criteria including one scenario representing an urban area with 2000 outlets as well as a non-urban area simulated with only 300 outlets. A comparison is made between estimates obtained with the full study area and estimates using only the subset area. This allows the study of the effect of edge censoring on accessibility measures. Results The results suggest that considerable bias is found at the edges of study regions in particular for accessibility measures. Edge effects are smaller for availability measures (when not smoothed) and also for short range accessibility Conclusions It is recommended that any study utilizing these measures should correct for edge effects. The use of edge correction via guard areas is recommended and the avoidance of large range distance-based accessibility measures is also proposed. PMID:20663199

Scanned gate microscopy of inter-edge channel scattering in the quantum Hall regime

NASA Astrophysics Data System (ADS)

Woodside, Michael T.; Vale, Chris; McEuen, Paul L.; Kadow, C.; Maranowski, K. D.; Gossard, A. C.

2000-03-01

Novel scanned probe techniques have recently been used to study in detail the microscopic properties of 2D electron gases in the quantum Hall regime [1]. We report local measurements of the scattering between edge states in a quantum Hall conductor with non-equilibrium edge state populations. Using an atomic force microscope (AFM) tip as a local gate to perturb the edge states, we find that the scattering is dominated by individual, microscopic scattering sites, which we directly image and characterise. The dependence of the scattering on the AFM tip voltage reveals that it involves tunneling both through quasi-bound impurity states and through disorder-induced weak links between the edge states. [1] S. H. Tessmer et al., Nature 392, 51 (1998); K. L. McCormick et al., Phys. Rev. B 59, 4654 (1999); A. Yacoby et al., Solid State Comm. 111, 1 (1999).

Nitrogen K-edge x-ray absorption near edge structure of pyrimidine-containing nucleotides in aqueous solution

NASA Astrophysics Data System (ADS)

Shimada, Hiroyuki; Minami, Hirotake; Okuizumi, Naoto; Sakuma, Ichiro; Ukai, Masatoshi; Fujii, Kentaro; Yokoya, Akinari; Fukuda, Yoshihiro; Saitoh, Yuji

2015-05-01

X-ray absorption near edge structure (XANES) was measured at energies around the N K-edge of the pyrimidine-containing nucleotides, cytidine 5'-monophosphate (CMP), 2'-deoxythymidine 5'-monophosphate (dTMP), and uridine 5'-monophosphate (UMP), in aqueous solutions and in dried films under various pH conditions. The features of resonant excitations below the N K-edge in the XANES spectra for CMP, dTMP, and UMP changed depending on the pH of the solutions. The spectral change thus observed is systematically explained by the chemical shift of the core-levels of N atoms in the nucleobase moieties caused by structural changes due to protonation or deprotonation at different proton concentrations. This interpretation is supported by the results of theoretical calculations using density functional theory for the corresponding nucleobases in the neutral and protonated or deprotonated forms.

Nitrogen K-edge x-ray absorption near edge structure of pyrimidine-containing nucleotides in aqueous solution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shimada, Hiroyuki, E-mail: hshimada@cc.tuat.ac.jp; Minami, Hirotake; Okuizumi, Naoto

2015-05-07

X-ray absorption near edge structure (XANES) was measured at energies around the N K-edge of the pyrimidine-containing nucleotides, cytidine 5′-monophosphate (CMP), 2′-deoxythymidine 5′-monophosphate (dTMP), and uridine 5′-monophosphate (UMP), in aqueous solutions and in dried films under various pH conditions. The features of resonant excitations below the N K-edge in the XANES spectra for CMP, dTMP, and UMP changed depending on the pH of the solutions. The spectral change thus observed is systematically explained by the chemical shift of the core-levels of N atoms in the nucleobase moieties caused by structural changes due to protonation or deprotonation at different proton concentrations.more » This interpretation is supported by the results of theoretical calculations using density functional theory for the corresponding nucleobases in the neutral and protonated or deprotonated forms.« less

Electrochemistry at Edge of Single Graphene Layer in a Nanopore

PubMed Central

Banerjee, Shouvik; Shim, Jiwook; Rivera, Jose; Jin, Xiaozhong; Estrada, David; Solovyeva, Vita; You, Xiuque; Pak, James; Pop, Eric; Aluru, Narayana; Bashir, Rashid

2013-01-01

We study the electrochemistry of single layer graphene edges using a nanopore-based structure consisting of stacked graphene and Al2O3 dielectric layers. Nanopores, with diameters ranging from 5 to 20 nm, are formed by an electron beam sculpting process on the stacked layers. This leads to unique edge structure which, along with the atomically thin nature of the embedded graphene electrode, demonstrates electrochemical current densities as high as 1.2 × 104 A/cm2. The graphene edge embedded structure offers a unique capability to study the electrochemical exchange at an individual graphene edge, isolated from the basal plane electrochemical activity. We also report ionic current modulation in the nanopore by biasing the embedded graphene terminal with respect to the electrodes in the fluid. The high electrochemical specific current density for a graphene nanopore-based device can have many applications in sensitive chemical and biological sensing, and energy storage devices. PMID:23249127

The edge- and basal-plane-specific electrochemistry of a single-layer graphene sheet

PubMed Central

Yuan, Wenjing; Zhou, Yu; Li, Yingru; Li, Chun; Peng, Hailin; Zhang, Jin; Liu, Zhongfan; Dai, Liming; Shi, Gaoquan

2013-01-01

Graphene has a unique atom-thick two-dimensional structure and excellent properties, making it attractive for a variety of electrochemical applications, including electrosynthesis, electrochemical sensors or electrocatalysis, and energy conversion and storage. However, the electrochemistry of single-layer graphene has not yet been well understood, possibly due to the technical difficulties in handling individual graphene sheet. Here, we report the electrochemical behavior at single-layer graphene-based electrodes, comparing the basal plane of graphene to its edge. The graphene edge showed 4 orders of magnitude higher specific capacitance, much faster electron transfer rate and stronger electrocatalytic activity than those of graphene basal plane. A convergent diffusion effect was observed at the sub-nanometer thick graphene edge-electrode to accelerate the electrochemical reactions. Coupling with the high conductivity of a high-quality graphene basal plane, graphene edge is an ideal electrode for electrocatalysis and for the storage of capacitive charges. PMID:23896697

Modulation of electronic transport properties in armchair phosphorene nanoribbons by doping and edge passivation.

PubMed

Guo, Caixia; Wang, Tianxing; Xia, Congxin; Liu, Yufang

2017-10-09

The electronic structures and transport properties of group IV atoms (C, Si, Ge)-doped armchair phosphorene nanoribbons (APNRs) are investigated using first-principles calculations, considering different edge passivation. The results show that the C, Si, Ge dopants can induce the transition occur from semiconductor to metal in the APNRs. The negative differential resistance (NDR) behavior in the doped APNR system is robust with respect to the doping concentration and edge passivation type. However, their current peak positions and peak-to-valley ratio (PVR) values are correlated with doping concentration and edge passivation type. In particular, for the C, Si-doped APNRs, the low bias NDR behavior with the PVR (10 5 -10 8 ) can be observed when doping concentration is low in the APNRs with the F and H edge passivation. These results may play an important role for the fabrication of future low power consumption nano-electronic devices.

Absorption edge parameters of the LIII edge for compounds of Hg, Tl, Pb and Bi using EDXRF technique

NASA Astrophysics Data System (ADS)

Singh, Gurinderjeet; Singh, Amrit; Gupta, Manoj Kumar; Dhaliwal, A. S.; Kahlon, K. S.

2018-03-01

The measurement of Absorption edge parameters of the LIII edge of pure elements Hg, Tl, Pb and Bi along with their compounds HgCl2, HgO, HgF2, TlCl, Tl2O3, PbCl2, PbF2, Pb3O4, BiF3, BiCl3 and Bi2O3 has been done using EDXRF technique. In the present measurements 241Am (59.54 keV) radioactive source of activity 100 mCi along with CANBERRA make cryo-cooled Si (Li) detector is used. The measured results are compared with theoretically calculated values from FFAST version 2.1 (Chantler et al., 2005) and shows good agreement with each other within experimental uncertainties within 3.5%. It is observed that the values of absorption edge parameters of the LIII edge depends slightly on the chemical environment and shows almost constant behaviour with effective atomic number (Zeff)

Bulk-edge correspondence in topological transport and pumping

NASA Astrophysics Data System (ADS)

Imura, Ken-Ichiro; Yoshimura, Yukinori; Fukui, Takahiro; Hatsugai, Yasuhiro

2018-03-01

The bulk-edge correspondence (BEC) refers to a one-to-one relation between the bulk and edge properties ubiquitous in topologically nontrivial systems. Depending on the setup, BEC manifests in different forms and govern the spectral and transport properties of topological insulators and semimetals. Although the topological pump is theoretically old, BEC in the pump has been established just recently [1] motivated by the state-of-the-art experiments using cold atoms [2, 3]. The center of mass (CM) of a system with boundaries shows a sequence of quantized jumps in the adiabatic limit associated with the edge states. Despite that the bulk is adiabatic, the edge is inevitably non-adiabatic in the experimental setup or in any numerical simulations. Still the pumped charge is quantized and carried by the bulk. Its quantization is guaranteed by a compensation between the bulk and edges. We show that in the presence of disorder the pumped charge continues to be quantized despite the appearance of non-quantized jumps.

Microscopy of Analogs for Martian Dust and Soil

NASA Technical Reports Server (NTRS)

Anderson, M. A.; Pike, W. T.; Weitz, C. M.

1999-01-01

The upcoming Mars 2001 lander will carry an atomic force microscope (AFM) as part of the Mars Environmental Compatibility Assessment (MECA) payload. By operating in a tapping mode, the AFM is capable of sub-nanometer resolution in three dimensions and can distinguish between substances of different compositions by employing phase-contrast imaging. Phase imaging is an extension of tapping-mode AFM that provides nanometer-scale information about surface composition not revealed in the topography. Phase imaging maps the phase of the cantilever oscillation during the tapping mode scan, hence detecting variations in composition, adhesion, friction, and viscoelasticity. Because phase imaging highlights edges and is not affected by large-scale height differences, it provides for clearer observation of fine features, such as grain edges, which can be obscured by rough topography. To prepare for the Mars 01 mission, we are testing the AFM on a lunar soil and terrestrial basaltic glasses to determine the AFMOs ability to define particle shapes and sizes and grain-surface textures. The test materials include the Apollo 17 soil 79221, which is a mixture of agglutinates, impact and volcanic beads, and mare and highland rock and mineral fragments. The majority of the lunar soil particles are less than 100 microns in size, comparable to the sizes estimated for Martian dust. The terrestrial samples are millimeter size basaltic glasses collected on Black Pointe at Mono Lake, just north of the Long Valley caldera in California. The basaltic glass formed by a phreatomagmatic eruption 13,000 years ago beneath a glacier that covered the Mono Lake region. Because basaltic glass formed by reworking of pyroclastic deposits may represent a likely source for Martian dunes, these basaltic glass samples represent plausible analogs to the types of particles that may be studied in sand dunes by the 01 lander and rover. We have used the AFM to examine several different soil particles at various resolutions. The instrument has demonstrated the ability to identify parallel ridges characteristic of twinning on a 150-micron plagioclase feldspar particle. Extremely small (10-100 nanometer) adhering particles are visible on the surface of the feldspar grain, and appear elongate with smooth surfaces. Phase contrast imaging of the nanometer particles shows several compositions to be present. When the AFM was applied to a 100-micron glass spherule, it was possible to define an extremely smooth surface.E Also visible on the surface of the glass spherule were chains of 100-nanometer- and-smaller impact melt droplets. Additional information is contained in the original extended abstract.

Low-temperature adsorption of H2S on Ni(001) studied by near-edge- and surface-extended-x-ray-absorption fine structure

NASA Astrophysics Data System (ADS)

McGrath, R.; MacDowell, A. A.; Hashizume, T.; Sette, F.; Citrin, P. H.

1989-11-01

The adsorption of H2S on Ni(001) has been studied with surface-extended x-ray-absorption fine structure and near-edge x-ray-absorption fine structure (NEXAFS) using the AT&T Bell Laboratories X15B beamline at the National Synchrotron Light Source. At 95 K and full saturation coverage, ~0.45 monolayer (ML) of S atoms in fourfold-hollow sites are produced, characteristic of room-temperature adsorption, accompanied by ~0.05 ML of oriented molecular H2S. Both these atomic and molecular chemisorbed species are buried under ~0.9 ML of disordered physisorbed H2S. No evidence for HS is found. Above 190 K the two molecular H2S phases desorb, leaving only dissociated S. These findings differ from previously reported interpretations of data obtained with high-resolution electron-energy-loss spectroscopy. They also exemplify the utility of NEXAFS for identifying and quantifying atomic and molecular surface species even when their difference involves only H and the two species coexist.

Formation of nanostructures in Eu3+ doped glass-ceramics: an XAS study.

PubMed

Pellicer-Porres, J; Segura, A; Martínez-Criado, G; Rodríguez-Mendoza, U R; Lavín, V

2013-01-16

We describe the results of x-ray absorption experiments carried out to deduce structural and chemical information in Eu(3+) doped, transparent, oxyfluoride glass and nanostructured glass-ceramic samples. The spectra were measured at the Pb and Eu-L(III) edges. The Eu environment in the glass samples is observed to be similar to that of EuF(3). Complementary x-ray diffraction experiments show that thermal annealing creates β-PbF(2) type nanocrystals. X-ray absorption indicates that Eu ions act as seeds in the nanocrystal formation. There is evidence of interstitial fluorine atoms around Eu ions as well as Eu dimers. X-ray absorption at the Pb-L(III) edge shows that after the thermal treatment most lead atoms form a PbO amorphous phase and that only 10% of the lead atoms remain available to form β-PbF(2) type nanocrystals. Both x-ray diffraction and absorption point to a high Eu content in the nanocrystals. Our study suggests new approaches to the oxyfluoride glass-ceramic synthesis in order to further improve their properties.

Power Radiated from ITER and CIT by Impurities

DOE R&D Accomplishments Database

Cummings, J.; Cohen, S. A.; Hulse, R.; Post, D. E.; Redi, M. H.; Perkins, J.

1990-07-01

The MIST code has been used to model impurity radiation from the edge and core plasmas in ITER and CIT. A broad range of parameters have been varied, including Z{sub eff}, impurity species, impurity transport coefficients, and plasma temperature and density profiles, especially at the edge. For a set of these parameters representative of the baseline ITER ignition scenario, it is seen that impurity radiation, which is produced in roughly equal amounts by the edge and core regions, can make a major improvement in divertor operation without compromising core energy confinement. Scalings of impurity radiation with atomic number and machine size are also discussed.

Atomization of Wall-Bounded Two-Phase Flows (Preprint)

DTIC Science & Technology

2006-11-07

are given in Fig. 2. In the Rayleigh mode hydrodynamic instabilities produced by surface tension cause the jet surface to undulate [16]. Eventually...18], hydrodynamic instabilities [16] or the interaction of vortices in the gas phase [19]. Various mechanisms, discussed in the Atomization...width of the leading edge of the sheet. This regime is analogous to the Rayleigh mode in jets— hydrodynamic instabilities cause the surface of the

Oxygen reduction reaction activity and structural stability of Pt-Au nanoparticles prepared by arc-plasma deposition.

PubMed

Takahashi, Shuntaro; Chiba, Hiroshi; Kato, Takashi; Endo, Shota; Hayashi, Takehiro; Todoroki, Naoto; Wadayama, Toshimasa

2015-07-28

The oxygen reduction reaction (ORR) activity and durability of various Au(x)/Pt100 nanoparticles (where x is the atomic ratio of Au against Pt) are evaluated herein. The samples were fabricated on a highly-oriented pyrolytic graphite substrate at 773 K through sequential arc-plasma depositions of Pt and Au. The electrochemical hydrogen adsorption charges (electrochemical surface area), particularly the characteristic currents caused by the corner and edge sites of the Pt nanoparticles, decrease with increasing Au atomic ratio (x). In contrast, the specific ORR activities of the Au(x)/Pt100 samples were dependent on the atomic ratios of Pt and Au: the Au28/Pt100 sample showed the highest specific activity among all the investigated samples (x = 0-42). As for ORR durability evaluated by applying potential cycles between 0.6 and 1.0 V in oxygen-saturated 0.1 M HClO4, Au28/Pt100 was the most durable sample against the electrochemical potential cycles. The results clearly showed that the Au atoms located at coordinatively-unsaturated sites, e.g. at the corners or edges of the Pt nanoparticles, can improve the ORR durability by suppressing unsaturated-site-induced degradation of the Pt nanoparticles.

Self-regulation of charged defect compensation and formation energy pinning in semiconductors

PubMed Central

Yang, Ji-Hui; Yin, Wan-Jian; Park, Ji-Sang; Wei, Su-Huai

2015-01-01

Current theoretical analyses of defect properties without solving the detailed balance equations often estimate Fermi-level pinning position by omitting free carriers and assume defect concentrations can be always tuned by atomic chemical potentials. This could be misleading in some circumstance. Here we clarify that: (1) Because the Fermi-level pinning is determined not only by defect states but also by free carriers from band-edge states, band-edge states should be treated explicitly in the same footing as the defect states in practice; (2) defect formation energy, thus defect density, could be pinned and independent on atomic chemical potentials due to the entanglement of atomic chemical potentials and Fermi energy, in contrast to the usual expectation that defect formation energy can always be tuned by varying the atomic chemical potentials; and (3) the charged defect compensation behavior, i.e., most of donors are compensated by acceptors or vice versa, is self-regulated when defect formation energies are pinned. The last two phenomena are more dominant in wide-gap semiconductors or when the defect formation energies are small. Using NaCl and CH3NH3PbI3 as examples, we illustrate these unexpected behaviors. Our analysis thus provides new insights that enrich the understanding of the defect physics in semiconductors and insulators. PMID:26584670

Origins of Moiré Patterns in CVD-grown MoS2 Bilayer Structures at the Atomic Scales.

PubMed

Wang, Jin; Namburu, Raju; Dubey, Madan; Dongare, Avinash M

2018-06-21

The chemical vapor deposition (CVD)-grown two-dimensional molybdenum disulfide (MoS 2 ) structures comprise of flakes of few layers with different dimensions. The top layers are relatively smaller in size than the bottom layers, resulting in the formation of edges/steps across adjacent layers. The strain response of such few-layer terraced structures is therefore likely to be different from exfoliated few-layered structures with similar dimensions without any terraces. In this study, the strain response of CVD-grown few-layered MoS 2 terraced structures is investigated at the atomic scales using classic molecular dynamics (MD) simulations. MD simulations suggest that the strain relaxation of CVD-grown triangular terraced structures is observed in the vertical displacement of the atoms across the layers that results in the formation of Moiré patterns. The Moiré islands are observed to nucleate at the corners or edges of the few-layered structure and propagate inwards under both tensile and compressive strains. The nucleation of these islands is observed to happen at tensile strains of ~ 2% and at compressive strains of ~2.5%. The vertical displacements of the atoms and the dimensions of the Moiré islands predicted using the MD simulation are in excellent agreement with that observed experimentally.

A hierarchical coarse-grained (all-atom to all residue) approach to peptides (P1, P2) binding with a graphene sheet

NASA Astrophysics Data System (ADS)

Pandey, Ras; Kuang, Zhifeng; Farmer, Barry; Kim, Sang; Naik, Rajesh

2012-02-01

Recently, Kim et al. [1] have found that peptides P1: HSSYWYAFNNKT and P2: EPLQLKM bind selectively to graphene surfaces and edges respectively which are critical in modulating both the mechanical as well as electronic transport properties of graphene. Such distinctions in binding sites (edge versus surface) observed in electron micrographs were verified by computer simulation by an all-atomic model that captures the pi-pi bonding. We propose a hierarchical approach that involves input from the all-atom Molecular Dynamics (MD) study (with atomistic detail) into a coarse-grained Monte Carlo simulation to extend this study further to a larger scale. The binding energy of a free amino acid with the graphene sheet from all-atom simulation is used in the interaction parameter for the coarse-grained approach. Peptide chain executes its stochastic motion with the Metropolis algorithm. We investigate a number of local and global physical quantities and find that peptide P1 is likely to bind more strongly to graphene sheet than P2 and that it is anchored by three residues ^4Y^5W^6Y. [1] S.N. Kim et al J. Am. Chem. Soc. 133, 14480 (2011).

Cleaved-edge-overgrowth nanogap electrodes.

PubMed

Luber, Sebastian M; Bichler, Max; Abstreiter, Gerhard; Tornow, Marc

2011-02-11

We present a method to fabricate multiple metal nanogap electrodes of tailored width and distance in parallel, on the cleaved plane of a GaAs/AlGaAs heterostructure. The three-dimensional patterned structures are obtained by a combination of molecular-beam-epitaxial regrowth on a crystal facet, using the cleaved-edge-overgrowth (CEO) method, and subsequent wet selective etching and metallization steps. SEM and AFM studies reveal smooth and co-planar electrodes of width and distance of the order of 10 nm. Preliminary electrical characterization indicates electrical gap insulation in the 100 MΩ range with kΩ lead resistance. We propose our methodology to realize multiple electrode geometries that would allow investigation of the electrical conductivity of complex nanoscale objects such as branched organic molecules.

Solution of the surface Euler equations for accurate three-dimensional boundary-layer analysis of aerodynamic configurations

NASA Technical Reports Server (NTRS)

Iyer, V.; Harris, J. E.

1987-01-01

The three-dimensional boundary-layer equations in the limit as the normal coordinate tends to infinity are called the surface Euler equations. The present paper describes an accurate method for generating edge conditions for three-dimensional boundary-layer codes using these equations. The inviscid pressure distribution is first interpolated to the boundary-layer grid. The surface Euler equations are then solved with this pressure field and a prescribed set of initial and boundary conditions to yield the velocities along the two surface coordinate directions. Results for typical wing and fuselage geometries are presented. The smoothness and accuracy of the edge conditions obtained are found to be superior to the conventional interpolation procedures.

Spirit Scans Winter Haven

NASA Technical Reports Server (NTRS)

2006-01-01

At least three different kinds of rocks await scientific analysis at the place where NASA's Mars Exploration Rover Spirit will likely spend several months of Martian winter. They are visible in this picture, which the panoramic camera on Spirit acquired during the rover's 809th sol, or Martian day, of exploring Mars (April 12, 2006). Paper-thin layers of light-toned, jagged-edged rocks protrude horizontally from beneath small sand drifts; a light gray rock with smooth, rounded edges sits atop the sand drifts; and several dark gray to black, angular rocks with vesicles (small holes) typical of hardened lava lie scattered across the sand.

This view is an approximately true-color rendering that combines images taken through the panoramic camera's 753-nanometer, 535-nanometer, and 432-nanometer filters.

Computer vision, camouflage breaking and countershading

PubMed Central

Tankus, Ariel; Yeshurun, Yehezkel

2008-01-01

Camouflage is frequently used in the animal kingdom in order to conceal oneself from visual detection or surveillance. Many camouflage techniques are based on masking the familiar contours and texture of the subject by superposition of multiple edges on top of it. This work presents an operator, Darg, for the detection of three-dimensional smooth convex (or, equivalently, concave) objects. It can be used to detect curved objects on a relatively flat background, regardless of image edges, contours and texture. We show that a typical camouflage found in some animal species seems to be a ‘countermeasure’ taken against detection that might be based on our method. Detection by Darg is shown to be very robust, from both theoretical considerations and practical examples of real-life images. PMID:18990669

Sound Diffraction Modeling of Rotorcraft Noise Around Terrain

NASA Technical Reports Server (NTRS)

Stephenson, James H.; Sim, Ben W.; Chitta, Subhashini; Steinhoff, John

2017-01-01

A new computational technique, Wave Confinement (WC), is extended here to account for sound diffraction around arbitrary terrain. While diffraction around elementary scattering objects, such as a knife edge, single slit, disc, sphere, etc. has been studied for several decades, realistic environments still pose significant problems. This new technique is first validated against Sommerfeld's classical problem of diffraction due to a knife edge. This is followed by comparisons with diffraction over three-dimensional smooth obstacles, such as a disc and Gaussian hill. Finally, comparisons with flight test acoustics data measured behind a hill are also shown. Comparison between experiment and Wave Confinement prediction demonstrates that a Poisson spot occurred behind the isolated hill, resulting in significantly increased sound intensity near the center of the shadowed region.

LIDAR Point Cloud Data Extraction and Establishment of 3D Modeling of Buildings

NASA Astrophysics Data System (ADS)

Zhang, Yujuan; Li, Xiuhai; Wang, Qiang; Liu, Jiang; Liang, Xin; Li, Dan; Ni, Chundi; Liu, Yan

2018-01-01

This paper takes the method of Shepard’s to deal with the original LIDAR point clouds data, and generate regular grid data DSM, filters the ground point cloud and non ground point cloud through double least square method, and obtains the rules of DSM. By using region growing method for the segmentation of DSM rules, the removal of non building point cloud, obtaining the building point cloud information. Uses the Canny operator to extract the image segmentation is needed after the edges of the building, uses Hough transform line detection to extract the edges of buildings rules of operation based on the smooth and uniform. At last, uses E3De3 software to establish the 3D model of buildings.

Toward an alternative hardness kernel matrix structure in the Electronegativity Equalization Method (EEM).

PubMed

Chaves, J; Barroso, J M; Bultinck, P; Carbó-Dorca, R

2006-01-01

This study presents an alternative of the Electronegativity Equalization Method (EEM), where the usual Coulomb kernel has been transformed into a smooth function. The new framework, as the classical EEM, permits fast calculations of atomic charges in a given molecule for a small computational cost. The original EEM procedure needs to previously calibrate the different implied atomic hardness and electronegativity, using a chosen set of molecules. In the new EEM algorithm half the number of parameters needs to be calibrated, since a relationship between electronegativities and hardnesses has been found.

Object motion computation for the initiation of smooth pursuit eye movements in humans.

PubMed

Wallace, Julian M; Stone, Leland S; Masson, Guillaume S

2005-04-01

Pursuing an object with smooth eye movements requires an accurate estimate of its two-dimensional (2D) trajectory. This 2D motion computation requires that different local motion measurements are extracted and combined to recover the global object-motion direction and speed. Several combination rules have been proposed such as vector averaging (VA), intersection of constraints (IOC), or 2D feature tracking (2DFT). To examine this computation, we investigated the time course of smooth pursuit eye movements driven by simple objects of different shapes. For type II diamond (where the direction of true object motion is dramatically different from the vector average of the 1-dimensional edge motions, i.e., VA not equal IOC = 2DFT), the ocular tracking is initiated in the vector average direction. Over a period of less than 300 ms, the eye-tracking direction converges on the true object motion. The reduction of the tracking error starts before the closing of the oculomotor loop. For type I diamonds (where the direction of true object motion is identical to the vector average direction, i.e., VA = IOC = 2DFT), there is no such bias. We quantified this effect by calculating the direction error between responses to types I and II and measuring its maximum value and time constant. At low contrast and high speeds, the initial bias in tracking direction is larger and takes longer to converge onto the actual object-motion direction. This effect is attenuated with the introduction of more 2D information to the extent that it was totally obliterated with a texture-filled type II diamond. These results suggest a flexible 2D computation for motion integration, which combines all available one-dimensional (edge) and 2D (feature) motion information to refine the estimate of object-motion direction over time.

Essential role for calcium waves in migration of human vascular smooth muscle cells.

PubMed

Espinosa-Tanguma, Ricardo; O'Neil, Caroline; Chrones, Tom; Pickering, J Geoffrey; Sims, Stephen M

2011-08-01

Vascular smooth muscle cell (SMC) migration is characterized by extension of the lamellipodia at the leading edge, lamellipodial attachment to substrate, and release of the rear (uropod) of the cell, all of which enable forward movement. However, little is known regarding the role of intracellular cytosolic Ca(2+) concentration ([Ca(2+)](i)) in coordinating these distinct activities of migrating SMCs. The objective of our study was to determine whether regional changes of Ca(2+) orchestrate the migratory cycle in human vascular SMCs. We carried out Ca(2+) imaging using digital fluorescence microscopy of fura-2 loaded human smooth muscle cells. We found that motile SMCs exhibited Ca(2+) waves that characteristically swept from the rear of polarized cells toward the leading edge. Ca(2+) waves were less evident in nonpolarized, stationary cells, although acute stimulation of these SMCs with the agonists platelet-derived growth factor-BB or histamine could elicit transient rise of [Ca(2+)](i). To investigate a role for Ca(2+) waves in the migratory cycle, we loaded cells with the Ca(2+) chelator BAPTA, which abolished Ca(2+) waves and significantly reduced retraction, supporting a causal role for Ca(2+) in initiation of retraction. However, lamellipod motility was still evident in BAPTA-loaded cells. The incidence of Ca(2+) oscillations was reduced when Ca(2+) release from intracellular stores was disrupted with the sarcoplasmic reticulum Ca(2+)-ATPase inhibitor thapsigargin or by treatment with the inositol 1,4,5-trisphosphate receptor blocker 2-aminoethoxy-diphenyl borate or xestospongin C, implicating Ca(2+) stores in generation of waves. We conclude that Ca(2+) waves are essential for migration of human vascular SMCs and can encode cell polarity.

Electron-beam induced amorphization of stishovite: Silicon-coordination change observed using Si K-edge extended electron energy-loss fine structure

NASA Astrophysics Data System (ADS)

van Aken, P. A.; Sharp, T. G.; Seifert, F.

The analysis of the extended energy-loss fine structure (EXELFS) of the Si K-edge for sixfold-coordinated Si in synthetic stishovite and fourfold-coordinated Si in natural α-quartz is reported by using electron energy-loss spectroscopy (EELS) in combination with transmission electron microscopy (TEM). The stishovite Si K-edge EXELFS spectra were measured as a time-dependent series to document irradiation-induced amorphization. The amorphization was also investigated through the change in Si K- and O K-edge energy-loss near edge structure (ELNES). For α-quartz, in contrast to stishovite, electron irradiation-induced vitrification, verified by selected area electron diffraction (SAED), produced no detectable changes of the EXELFS. The Si K-edge EXELFS were analysed with the classical extended X-ray absorption fine structure (EXAFS) treatment and compared to ab initio curve-waved multiple-scattering (MS) calculations of EXAFS spectra for stishovite and α-quartz. Highly accurate information on the local atomic environment of the silicon atoms during the irradiation-induced amorphization of stishovite is obtained from the EXELFS structure parameters (Si-O bond distances, coordination numbers and Debye-Waller factors). The mean Si-O bond distance R and mean Si coordination number N changes from R=0.1775 nm and N=6 for stishovite through a disordered intermediate state (R 0.172 nm and N 5) to R 0.167 nm and N 4.5 for a nearly amorphous state similar to α-quartz (R=0.1609 nm and N=4). During the amorphization process, the Debye-Waller factor (DWF) passes through a maximum value of as it changes from for sixfold to for fourfold coordination of Si. This increase in Debye-Waller factor indicates an increase in mean-square relative displacement (MSRD) between the central silicon atom and its oxygen neighbours that is consistent with the presence of an intermediate structural state with fivefold coordination of Si. The distribution of coordination states can be estimated by modelling the amorphization as a decay process. Using the EXELFS data for amorphization, a new method is developed to derive the relative amounts of Si coordinations in high-pressure minerals with mixed coordination. For the radiation-induced amorphization process of stishovite the formation of a transitory structure with Si largely in fivefold coordination is deduced.

Strain-Engineering of Graphene Based Topological Quantum Devices

NASA Astrophysics Data System (ADS)

Diniz, Ginetom S.; Guassi, Marcos R.; Qu, Fanyao

2015-03-01

We have investigated the spin-charge transport in quantum devices based on graphene nanoribbons (GNR). Our calculation is based on the surface Green's function technique, considering the presence of an uniform uniaxial strain, spin-orbit interactions (SOIs), exchange field and a smooth staggered potential. We propose the use of uniaxial strain as an efficient mechanism to tune the conductance profiles of GNR with different edge terminations. Our results show that distinct behaviors can be achieved: for armchair GNR there is a complete suppression of the conductance close to the Fermi level with the formation of a band gap that depends on the direction and strength of the strain deformation, while for zigzag GNR there is only a small conductance suppression. We also discuss the effects of SOIs and the appearance of spin-resolved conductance oscillations, and the local density of states of these GNR devices in the quantum anomalous Hall regime. Furthermore, we demonstrate that the local density of states show that depending on the smoothness of the staggered potential, the edge states of AGNR can either emerge or be suppressed. These emerging states can be probed by scanning tunneling microscope. Our findings can be potentially used in novel GNR based topological quantum devices. Supported by FAP-DF, CNPq and CAPES.

Many-Body Localization and Quantum Nonergodicity in a Model with a Single-Particle Mobility Edge.

PubMed

Li, Xiaopeng; Ganeshan, Sriram; Pixley, J H; Das Sarma, S

2015-10-30

We investigate many-body localization in the presence of a single-particle mobility edge. By considering an interacting deterministic model with an incommensurate potential in one dimension we find that the single-particle mobility edge in the noninteracting system leads to a many-body mobility edge in the corresponding interacting system for certain parameter regimes. Using exact diagonalization, we probe the mobility edge via energy resolved entanglement entropy (EE) and study the energy resolved applicability (or failure) of the eigenstate thermalization hypothesis (ETH). Our numerical results indicate that the transition separating area and volume law scaling of the EE does not coincide with the nonthermal to thermal transition. Consequently, there exists an extended nonergodic phase for an intermediate energy window where the many-body eigenstates violate the ETH while manifesting volume law EE scaling. We also establish that the model possesses an infinite temperature many-body localization transition despite the existence of a single-particle mobility edge. We propose a practical scheme to test our predictions in atomic optical lattice experiments which can directly probe the effects of the mobility edge.

Asymptotically-Equal-To 10 eV ionization shift in Ir K{alpha}{sub 2} from a near-coincident Lu K-edge

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pereira, N. R.; Weber, B. V.; Phipps, D.

Close to an x-ray filter's K-edge the transmission depends strongly on the photon energy. For a few atom pairs, the K-edge of one is only a few tens of eV higher than a K-line energy of another, so that a small change in the line's energy becomes a measurable change in intensity behind such a matching filter. Lutetium's K-edge is Asymptotically-Equal-To 27 eV above iridium's K{alpha}{sub 2} line, Asymptotically-Equal-To 63.287 keV for cold Ir. A Lu filter reduces this line's intensity by Asymptotically-Equal-To 10 % when it is emitted by a plasma, indicating an ionization shift {Delta}E Asymptotically-Equal-To 10{+-}1 eV.

Edge facet dynamics during the growth of heavily doped n-type silicon by the Czochralski-method

NASA Astrophysics Data System (ADS)

Stockmeier, L.; Kranert, C.; Raming, G.; Miller, A.; Reimann, C.; Rudolph, P.; Friedrich, J.

2018-06-01

During the growth of [0 0 1]-oriented, heavily n-type doped silicon crystals by the Czochralski (CZ) method dislocation formation occurs frequently which leads to a reduction of the crystal yield. In this publication the evolution of the solid-liquid interface and the formation of the {1 1 1} edge facets are analyzed on a microscopic scale as possible reason for dislocation formation in heavily n-type doped [0 0 1]-oriented CZ crystals. A correlation between the length of the {1 1 1} edge facets and the curvature of the interface is found. They ultimately promote supercooled areas and interrupted growth kinetics, which increase the probability for dislocation formation at the boundary between the {1 1 1} edge facets and the atomically rough interface.

Two-photon absorption of soft X-ray free electron laser radiation by graphite near the carbon K-absorption edge

NASA Astrophysics Data System (ADS)

Lam, Royce K.; Raj, Sumana L.; Pascal, Tod A.; Pemmaraju, C. D.; Foglia, Laura; Simoncig, Alberto; Fabris, Nicola; Miotti, Paolo; Hull, Christopher J.; Rizzuto, Anthony M.; Smith, Jacob W.; Mincigrucci, Riccardo; Masciovecchio, Claudio; Gessini, Alessandro; De Ninno, Giovanni; Diviacco, Bruno; Roussel, Eleonore; Spampinati, Simone; Penco, Giuseppe; Di Mitri, Simone; Trovò, Mauro; Danailov, Miltcho B.; Christensen, Steven T.; Sokaras, Dimosthenis; Weng, Tsu-Chien; Coreno, Marcello; Poletto, Luca; Drisdell, Walter S.; Prendergast, David; Giannessi, Luca; Principi, Emiliano; Nordlund, Dennis; Saykally, Richard J.; Schwartz, Craig P.

2018-07-01

We have examined the transmission of soft X-ray pulses from the FERMI free electron laser through carbon films of varying thickness, quantifying nonlinear effects of pulses above and below the carbon K-edge. At typical of soft X-ray free electron laser intensities, pulses exhibit linear absorption at photon energies above and below the K-edge, ∼308 and ∼260 eV, respectively; whereas two-photon absorption becomes significant slightly below the K-edge, ∼284.2 eV. The measured two-photon absorption cross section at 284.18 eV (∼6 × 10-48 cm4 s) is 7 orders of magnitude above what is expected from a simple theory based on hydrogen-like atoms - a result of resonance effects.

Transport gap engineering by contact geometry in graphene nanoribbons: Experimental and theoretical studies on artificial materials

NASA Astrophysics Data System (ADS)

Stegmann, Thomas; Franco-Villafañe, John A.; Kuhl, Ulrich; Mortessagne, Fabrice; Seligman, Thomas H.

2017-01-01

Electron transport in small graphene nanoribbons is studied by microwave emulation experiments and tight-binding calculations. In particular, it is investigated under which conditions a transport gap can be observed. Our experiments provide evidence that armchair ribbons of width 3 m +2 with integer m are metallic and otherwise semiconducting, whereas zigzag ribbons are metallic independent of their width. The contact geometry, defining to which atoms at the ribbon edges the source and drain leads are attached, has strong effects on the transport. If leads are attached only to the inner atoms of zigzag edges, broad transport gaps can be observed in all armchair ribbons as well as in rhomboid-shaped zigzag ribbons. All experimental results agree qualitatively with tight-binding calculations using the nonequilibrium Green's function method.

Carbon Fibers Conductivity Studies

NASA Technical Reports Server (NTRS)

Yang, C. Y.; Butkus, A. M.

1980-01-01

In an attempt to understand the process of electrical conduction in polyacrylonitrile (PAN)-based carbon fibers, calculations were carried out on cluster models of the fiber consisting of carbon, nitrogen, and hydrogen atoms using the modified intermediate neglect of differential overlap (MINDO) molecular orbital (MO) method. The models were developed based on the assumption that PAN carbon fibers obtained with heat treatment temperatures (HTT) below 1000 C retain nitrogen in a graphite-like lattice. For clusters modeling an edge nitrogen site, analysis of the occupied MO's indicated an electron distribution similar to that of graphite. A similar analysis for the somewhat less stable interior nitrogen site revealed a partially localized II electron distribution around the nitrogen atom. The differences in bonding trends and structural stability between edge and interior nitrogen clusters led to a two-step process proposed for nitrogen evolution with increasing HTT.

Preferential incorporation of substitutional nitrogen near the atomic step edges in diluted nitride alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cornet, C.; Nguyen Thanh, T.; Almosni, S.

We have investigated the influence of the surface roughness on nitrogen incorporation during the molecular beam epitaxy of diluted nitrides, independently of the other growth parameters. GaPN/GaP layers grown simultaneously on surfaces displaying different roughnesses reveal a large difference in nitrogen incorporation despite the same growth temperature and growth rate. The same difference is found on quasi-lattice-matched GaAsPN demonstrating that the phenomenon is not related to any strain-induced mechanisms. The tendency is clearly confirmed when varying the growth conditions. As a direct consequence, the incorporation of substitutional nitrogen near the atomic step edges is found to be 6.7 times moremore » probable than the in-plane nitrogen incorporation. The formation of N-N{sub i} clusters and their stability on the surface is discussed.« less

Study on formation of step bunching on 6H-SiC (0001) surface by kinetic Monte Carlo method

NASA Astrophysics Data System (ADS)

Li, Yuan; Chen, Xuejiang; Su, Juan

2016-05-01

The formation and evolution of step bunching during step-flow growth of 6H-SiC (0001) surfaces were studied by three-dimensional kinetic Monte Carlo (KMC) method and compared with the analytic model based on the theory of Burton-Cabera-Frank (BCF). In the KMC model the crystal lattice was represented by a structured mesh which fixed the position of atoms and interatomic bonding. The events considered in the model were adatoms adsorption and diffusion on the terrace, and adatoms attachment, detachment and interlayer transport at the step edges. In addition, effects of Ehrlich-Schwoebel (ES) barriers at downward step edges and incorporation barriers at upwards step edges were also considered. In order to obtain more elaborate information for the behavior of atoms in the crystal surface, silicon and carbon atoms were treated as the minimal diffusing species. KMC simulation results showed that multiple-height steps were formed on the vicinal surface oriented toward [ 1 1 bar 00 ] or [ 11 2 bar 0 ] directions. And then the formation mechanism of the step bunching was analyzed. Finally, to further analyze the formation processes of step bunching, a one-dimensional BCF analytic model with ES and incorporation barriers was used, and then it was solved numerically. In the BCF model, the periodic boundary conditions (PBC) were applied, and the parameters were corresponded to those used in the KMC model. The evolution character of step bunching was consistent with the results obtained by KMC simulation.

Low dose CBCT reconstruction via prior contour based total variation (PCTV) regularization: a feasibility study

NASA Astrophysics Data System (ADS)

Chen, Yingxuan; Yin, Fang-Fang; Zhang, Yawei; Zhang, You; Ren, Lei

2018-04-01

Purpose: compressed sensing reconstruction using total variation (TV) tends to over-smooth the edge information by uniformly penalizing the image gradient. The goal of this study is to develop a novel prior contour based TV (PCTV) method to enhance the edge information in compressed sensing reconstruction for CBCT. Methods: the edge information is extracted from prior planning-CT via edge detection. Prior CT is first registered with on-board CBCT reconstructed with TV method through rigid or deformable registration. The edge contours in prior-CT is then mapped to CBCT and used as the weight map for TV regularization to enhance edge information in CBCT reconstruction. The PCTV method was evaluated using extended-cardiac-torso (XCAT) phantom, physical CatPhan phantom and brain patient data. Results were compared with both TV and edge preserving TV (EPTV) methods which are commonly used for limited projection CBCT reconstruction. Relative error was used to calculate pixel value difference and edge cross correlation was defined as the similarity of edge information between reconstructed images and ground truth in the quantitative evaluation. Results: compared to TV and EPTV, PCTV enhanced the edge information of bone, lung vessels and tumor in XCAT reconstruction and complex bony structures in brain patient CBCT. In XCAT study using 45 half-fan CBCT projections, compared with ground truth, relative errors were 1.5%, 0.7% and 0.3% and edge cross correlations were 0.66, 0.72 and 0.78 for TV, EPTV and PCTV, respectively. PCTV is more robust to the projection number reduction. Edge enhancement was reduced slightly with noisy projections but PCTV was still superior to other methods. PCTV can maintain resolution while reducing the noise in the low mAs CatPhan reconstruction. Low contrast edges were preserved better with PCTV compared with TV and EPTV. Conclusion: PCTV preserved edge information as well as reduced streak artifacts and noise in low dose CBCT reconstruction. PCTV is superior to TV and EPTV methods in edge enhancement, which can potentially improve the localization accuracy in radiation therapy.

Apparatus and methods for cooling and sealing rotary helical screw compressors

DOEpatents

Fresco, A.N.

1997-08-05

In a compression system which incorporates a rotary helical screw compressor, and for any type of gas or refrigerant, the working liquid oil is atomized through nozzles suspended in, and parallel to, the suction gas flow, or alternatively the nozzles are mounted on the suction piping. In either case, the aim is to create positively a homogeneous mixture of oil droplets to maximize the effectiveness of the working liquid oil in improving the isothermal and volumetric efficiencies. The oil stream to be atomized may first be degassed at compressor discharge pressure by heating within a pressure vessel and recovering the energy added by using the outgoing oil stream to heat the incoming oil stream. The stripped gas is typically returned to the compressor discharge flow. In the preferred case, the compressor rotors both contain a hollow cavity through which working liquid oil is injected into channels along the edges of the rotors, thereby forming a continuous and positive seal between the rotor edges and the compressor casing. In the alternative method, working liquid oil is injected either in the same direction as the rotor rotation or counter to rotor rotation through channels in the compressor casing which are tangential to the rotor edges and parallel to the rotor center lines or alternatively the channel paths coincide with the helical path of the rotor edges. 14 figs.

Apparatus and methods for cooling and sealing rotary helical screw compressors

DOEpatents

Fresco, Anthony N.

1997-01-01

In a compression system which incorporates a rotary helical screw compressor, and for any type of gas or refrigerant, the working liquid oil is atomized through nozzles suspended in, and parallel to, the suction gas flow, or alternatively the nozzles are mounted on the suction piping. In either case, the aim is to create positively a homogeneous mixture of oil droplets to maximize the effectiveness of the working liquid oil in improving the isothermal and volumetric efficiencies. The oil stream to be atomized may first be degassed at compressor discharge pressure by heating within a pressure vessel and recovering the energy added by using the outgoing oil stream to heat the incoming oil stream. The stripped gas is typically returned to the compressor discharge flow. In the preferred case, the compressor rotors both contain a hollow cavity through which working liquid oil is injected into channels along the edges of the rotors, thereby forming a continuous and positive seal between the rotor edges and the compressor casing. In the alternative method, working liquid oil is injected either in the same direction as the rotor rotation or counter to rotor rotation through channels in the compressor casing which are tangential to the rotor edges and parallel to the rotor centerlines or alternatively the channel paths coincide with the helical path of the rotor edges.

Multimodal medical image fusion by combining gradient minimization smoothing filter and non-subsampled directional filter bank

NASA Astrophysics Data System (ADS)

Zhang, Cheng; Wenbo, Mei; Huiqian, Du; Zexian, Wang

2018-04-01

A new algorithm was proposed for medical images fusion in this paper, which combined gradient minimization smoothing filter (GMSF) with non-sampled directional filter bank (NSDFB). In order to preserve more detail information, a multi scale edge preserving decomposition framework (MEDF) was used to decompose an image into a base image and a series of detail images. For the fusion of base images, the local Gaussian membership function is applied to construct the fusion weighted factor. For the fusion of detail images, NSDFB was applied to decompose each detail image into multiple directional sub-images that are fused by pulse coupled neural network (PCNN) respectively. The experimental results demonstrate that the proposed algorithm is superior to the compared algorithms in both visual effect and objective assessment.

CROSS-DISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY: Novel Route to Fabrication of Metal-Sandwiched Nanoscale Tapered Structures

NASA Astrophysics Data System (ADS)

Zhang, Yang; Yu, Da-Peng

2009-08-01

Tapered dielectric structures in metal have exhibited extraordinary performance in both surface plasmon polariton (SPP) waveguiding and SPP focusing. This is crucial to plasmonic research and industrial plasmonic device integration. We present a method that facilitates easy fabrication of smooth-surfaced sub-micron tapered structures in large scale simply with electron beam lithography (EBL). When a PMMA layer is spin-coated on previously-EBL-defined PMMA structures, steep edges can be transformed into a declining slope to form tapered PMMA structures, scaled from 10 nm to 1000 nm. Despite the simplicity of our method, patterns with PMMA surface smoothness can be well-positioned and replicated in large numbers, which therefore gives scientists easy access to research on the properties of tapered structures.

Control of spontaneous emission from a microwave-field-driven four-level atom in an anisotropic photonic crystal

NASA Astrophysics Data System (ADS)

Zhang, Duo; Li, Jiahua; Ding, Chunling; Yang, Xiaoxue

2012-05-01

The spontaneous emission properties of a microwave-field-driven four-level atom embedded in anisotropic double-band photonic crystals (PCs) are investigated. We discuss the influences of the band-edge positions, Rabi frequency and detuning of the microwave field on the emission spectrum. It is found that several interesting features such as spectral-line enhancement, spectral-line suppression, spectral-line overlap, and multi-peak structures can be observed in the spectra. The proposed scheme can be achieved by use of a microwave-coupled field into hyperfine levels in rubidium atom confined in a photonic crystal. These theoretical investigations may provide more degrees of freedom to manipulate the atomic spontaneous emission.

Fullerenes formation in flames

NASA Technical Reports Server (NTRS)

Howard, Jack B.

1993-01-01

Fullerenes are composed of carbon atoms arranged in approximately spherical or ellipsoidal cages resembling the geodesic domes designed by Buckminster Fuller, after whom the molecules were named. The approximately spherical fullerene, which resembles a soccer ball and contains sixty atoms (C60), is called buckminsterfullerene. The fullerene containing seventy carbon atoms (C70) is approximately ellipsoidal, similar to a rugby ball. Fullerenes were first detected in 1985, in carbon vapor produced by laser evaporation of graphite. The closed shell structure, which has no edge atoms vulnerable to reaction, was proposed to explain the observed high stability of certain carbon clusters relative to that of others at high temperatures and in the presence of an oxidizing gas.

Adsorption of xenon on vicinal copper and platinum surfaces

NASA Astrophysics Data System (ADS)

Baker, Layton

The adsorption of xenon was studied on Cu(111), Cu(221), Cu(643) and on Pt(111), Pt(221), and Pt(531) using low energy electron diffraction (LEED), temperature programmed desorption (TPD) of xenon, and ultraviolet photoemission of adsorbed xenon (PAX). These experiments were performed to study the atomic and electronic structure of stepped and step-kinked, chiral metal surfaces. Xenon TPD and PAX were performed on each surface in an attempt to titrate terrace, step edge, and kink adsorption sites by adsorption energetics (TPD) and local work function differences (PAX). Due to the complex behavior of xenon on the vicinal copper and platinum metal surfaces, adsorption sites on these surfaces could not be adequately titrated by xenon TPD. On Cu(221) and Cu(643), xenon desorption from step adsorption sites was not apparent leading to the conclusion that the energy difference between terrace and step adsorption is minuscule. On Pt(221) and Pt(531), xenon TPD indicated that xenon prefers to bond at step edges and that the xenon-xenon interaction at step edges in repulsive but no further indication of step-kink adsorption was observed. The Pt(221) and Pt(531) TPD spectra indicated that the xenon overlayer undergoes strong compression near monolayer coverage on these surfaces due to repulsion between step-edge adsorbed xenon and other encroaching xenon atoms. The PAX experiments on the copper and platinum surfaces demonstrated that the step adsorption sites have lower local work functions than terrace adsorption sites and that higher step density leads to a larger separation in the local work function of terrace and step adsorption sites. The PAX spectra also indicated that, for all surfaces studied at 50--70 K, step adsorption is favored at low coverage but the step sites are not saturated until monolayer coverage is reached; this observation is due to the large entropy difference between terrace and step adsorption states and to repulsive interactions between xenon atoms adsorbed at step edges (on the platinum surfaces). The results herein provide several novel observations regarding the adsorptive behavior of xenon on vicinal copper and platinum surfaces.

Geometry, bonding and magnetism in planar triangulene graphene molecules with D3h symmetry: Zigzag Cm∗∗2+4m+1H3m+3 (m = 2, …, 15)

NASA Astrophysics Data System (ADS)

Philpott, Michael R.; Cimpoesu, Fanica; Kawazoe, Yoshiyuki

2008-12-01

Ab initio plane wave based all valence electron DFT calculations with geometry optimization are reported for the electronic structure of planar zigzag edged triangular shaped graphene molecules CH where the zigzag ring number m = 2, …, 15. The largest molecule C 286H 48 has a 3.8 nm side length and retains D3h symmetric geometry. The zone in the middle of the molecules, where the geometry and electronic properties resemble infinite single sheet graphite (graphene), expands with increasing ring number m, driving deviations in geometry, charge and spin to the perimeter. If a molecule is viewed as a set of nested triangular rings of carbon, then the zone where the lattice resembles an infinite sheet of graphene with CC = 142 pm, extends to the middle of the penultimate ring. The radial bonds joining the perimeter carbon atoms to the interior are long CC = 144 pm, except near the three apexes where the bonds are shorter. Isometric surfaces of the total charge density show that the two bonds joined at the apex have the highest valence charge. The perimeter CC bonds establish a simple pattern as the zigzag number increases, which shares some features with the zigzag edges in the D2h linear acenes C 4m+2H 2m+4 and the D6h hexangulenes CH6m but not the D6h symmetric annulenes (CH). The two CC bonds forming each apex are short (≈139 pm), next comes one long bond CC ≈ 142 pm and a middle region where all the CC bonds have length ≈141 pm. The homo-lumo gap declines from 0.53 eV at m = 2 to approximately 0.29 V at m = 15, the latter being larger than found for linear or hexagonal shaped graphenes with comparable edge lengths. Across the molecule the charge on the carbon atoms undergoes a small oscillation following the bipartite lattice. The magnitude of the charge in the same nested triangle decreases monotonically with the distance of the row from the center of the molecule. These systems are predicted to have spin polarized ground states with S = ½( m - 1), in accord with the theorems of Lieb for a bipartite lattice with unequal numbers of sub-lattice carbon atoms. The magnitude of the spin on the atoms increases monotonically from the center to the edges, this effect being greatest on the majority A-sub lattice atoms. The spins are delocalized, not confined to specific atoms as might result in geometries stabilized by islands of aromatic resonance. In the largest systems the magnetic non-bonding levels (NBL) occur as a narrowly distributed set of homos close to the Fermi level, separated from the lower lying valence bond manifold by a gap of about 1 eV. The NBL are a set of disjoint radical orbitals having charge only on atoms belonging to the A-lattice and this charge is concentrated on the perimeter and penultimate row atoms.

Exceptionally large migration length of carbon and topographically-facilitated self-limiting molecular beam epitaxial growth of graphene on hexagonal boron nitride

DOE Office of Scientific and Technical Information (OSTI.GOV)

Plaut, Annette S.; Wurstbauer, Ulrich; Wang, Sheng

We demonstrate growth of single-layer graphene (SLG) on hexagonal boron nitride (h-BN) by molecular beam epitaxy (MBE), only limited in area by the finite size of the h-BN flakes. Using atomic force microscopy and micro-Raman spectroscopy, we show that for growth over a wide range of temperatures (500 °C – 1000 °C) the deposited carbon atoms spill off the edge of the h-BN flakes. We attribute this spillage to the very high mobility of the carbon atoms on the BN basal plane, consistent with van der Waals MBE. The h-BN flakes vary in size from 30 μm to 100 μm,more » thus demonstrating that the migration length of carbon atoms on h-BN is greater than 100 μm. When sufficient carbon is supplied to compensate for this loss, which is largely due to this fast migration of the carbon atoms to and off the edges of the h-BN flake, we find that the best growth temperature for MBE SLG on h-BN is ~950 °C. Self-limiting graphene growth appears to be facilitated by topographic h-BN surface features: We have thereby grown MBE self-limited SLG on an h-BN ridge. This opens up future avenues for precisely tailored fabrication of nano- and hetero-structures on pre-patterned h-BN surfaces for device applications.« less

Factors governing hole expansion ratio of steel sheets with smooth sheared edge

NASA Astrophysics Data System (ADS)

Yoon, Jae Ik; Jung, Jaimyun; Lee, Hak Hyeon; Kim, Gyo-Sung; Kim, Hyoung Seop

2016-11-01

Stretch-flangeability measured using hole expansion test (HET) represents the ability of a material to form into a complex shaped component. Despite its importance in automotive applications of advanced high strength steels, stretch-flangeability is a less known sheet metal forming property. In this paper, we investigate the factors governing hole expansion ratio (HER) by means of tensile test and HET. We correlate a wide range of tensile properties with HERs of steel sheet specimens because the stress state in the hole edge region during the HET is almost the same as that of the uniaxial tensile test. In order to evaluate an intrinsic HER of steel sheet specimens, the initial hole of the HET specimen is produced using a milling process after punching, which can remove accumulated shearing damage and micro-void in the hole edge region that is present when using the standard HER evaluation method. It was found that the intrinsic HER of steel sheet specimens was proportional to the strain rate sensitivity exponent and post uniform elongation.

Scaling analysis of the non-Abelian quasiparticle tunneling in Z}}_k FQH states

NASA Astrophysics Data System (ADS)

Li, Qi; Jiang, Na; Wan, Xin; Hu, Zi-Xiang

2018-06-01

Quasiparticle tunneling between two counter propagating edges through point contacts could provide information on its statistics. Previous study of the short distance tunneling displays a scaling behavior, especially in the conformal limit with zero tunneling distance. The scaling exponents for the non-Abelian quasiparticle tunneling exhibit some non-trivial behaviors. In this work, we revisit the quasiparticle tunneling amplitudes and their scaling behavior in a full range of the tunneling distance by putting the electrons on the surface of a cylinder. The edge–edge distance can be smoothly tuned by varying the aspect ratio for a finite size cylinder. We analyze the scaling behavior of the quasiparticles for the Read–Rezayi states for and 4 both in the short and long tunneling distance region. The finite size scaling analysis automatically gives us a critical length scale where the anomalous correction appears. We demonstrate this length scale is related to the size of the quasiparticle at which the backscattering between two counter propagating edges starts to be significant.

MR image reconstruction via guided filter.

PubMed

Huang, Heyan; Yang, Hang; Wang, Kang

2018-04-01

Magnetic resonance imaging (MRI) reconstruction from the smallest possible set of Fourier samples has been a difficult problem in medical imaging field. In our paper, we present a new approach based on a guided filter for efficient MRI recovery algorithm. The guided filter is an edge-preserving smoothing operator and has better behaviors near edges than the bilateral filter. Our reconstruction method is consist of two steps. First, we propose two cost functions which could be computed efficiently and thus obtain two different images. Second, the guided filter is used with these two obtained images for efficient edge-preserving filtering, and one image is used as the guidance image, the other one is used as a filtered image in the guided filter. In our reconstruction algorithm, we can obtain more details by introducing guided filter. We compare our reconstruction algorithm with some competitive MRI reconstruction techniques in terms of PSNR and visual quality. Simulation results are given to show the performance of our new method.

Text extraction via an edge-bounded averaging and a parametric character model

NASA Astrophysics Data System (ADS)

Fan, Jian

2003-01-01

We present a deterministic text extraction algorithm that relies on three basic assumptions: color/luminance uniformity of the interior region, closed boundaries of sharp edges and the consistency of local contrast. The algorithm is basically independent of the character alphabet, text layout, font size and orientation. The heart of this algorithm is an edge-bounded averaging for the classification of smooth regions that enhances robustness against noise without sacrificing boundary accuracy. We have also developed a verification process to clean up the residue of incoherent segmentation. Our framework provides a symmetric treatment for both regular and inverse text. We have proposed three heuristics for identifying the type of text from a cluster consisting of two types of pixel aggregates. Finally, we have demonstrated the advantages of the proposed algorithm over adaptive thresholding and block-based clustering methods in terms of boundary accuracy, segmentation coherency, and capability to identify inverse text and separate characters from background patches.

Sigma-phase packing of icosahedral clusters in 780-atom tetragonal crystals of Cr5Ni3Si2 and V15Ni10Si that by twinning achieve 8-fold rotational point-group symmetry

PubMed Central

Pauling, Linus

1988-01-01

A 780-atom primitive tetragonal unit with edges 27.3, 27.3, and 12.6 Å is assigned to rapidly solidified Cu5Ni3Si2 and V15Ni10Si by analysis of electron diffraction photographs with the assumption that the crystals contain icosahedral clusters. There are thirty 26-atom clusters at the sigma-phase positions. Apparent 8-fold symmetry results from 45° twinning on the basal plane. PMID:16593915

Sigma-phase packing of icosahedral clusters in 780-atom tetragonal crystals of Cr(5)Ni(3)Si(2) and V(15)Ni(10)Si that by twinning achieve 8-fold rotational point-group symmetry.

PubMed

Pauling, L

1988-04-01

A 780-atom primitive tetragonal unit with edges 27.3, 27.3, and 12.6 A is assigned to rapidly solidified Cu(5)Ni(3)Si(2) and V(15)Ni(10)Si by analysis of electron diffraction photographs with the assumption that the crystals contain icosahedral clusters. There are thirty 26-atom clusters at the sigma-phase positions. Apparent 8-fold symmetry results from 45 degrees twinning on the basal plane.

Unexpected role of the copper transporter ATP7A in PDGF-induced vascular smooth muscle cell migration.

PubMed

Ashino, Takashi; Sudhahar, Varadarajan; Urao, Norifumi; Oshikawa, Jin; Chen, Gin-Fu; Wang, Huan; Huo, Yuqing; Finney, Lydia; Vogt, Stefan; McKinney, Ronald D; Maryon, Edward B; Kaplan, Jack H; Ushio-Fukai, Masuko; Fukai, Tohru

2010-09-17

Copper, an essential nutrient, has been implicated in vascular remodeling and atherosclerosis with unknown mechanism. Bioavailability of intracellular copper is regulated not only by the copper importer CTR1 (copper transporter 1) but also by the copper exporter ATP7A (Menkes ATPase), whose function is achieved through copper-dependent translocation from trans-Golgi network (TGN). Platelet-derived growth factor (PDGF) promotes vascular smooth muscle cell (VSMC) migration, a key component of neointimal formation. To determine the role of copper transporter ATP7A in PDGF-induced VSMC migration. Depletion of ATP7A inhibited VSMC migration in response to PDGF or wound scratch in a CTR1/copper-dependent manner. PDGF stimulation promoted ATP7A translocation from the TGN to lipid rafts, which localized at the leading edge, where it colocalized with PDGF receptor and Rac1, in migrating VSMCs. Mechanistically, ATP7A small interfering RNA or CTR small interfering RNA prevented PDGF-induced Rac1 translocation to the leading edge, thereby inhibiting lamellipodia formation. In addition, ATP7A depletion prevented a PDGF-induced decrease in copper level and secretory copper enzyme precursor prolysyl oxidase (Pro-LOX) in lipid raft fraction, as well as PDGF-induced increase in LOX activity. In vivo, ATP7A expression was markedly increased and copper accumulation was observed by synchrotron-based x-ray fluorescence microscopy at neointimal VSMCs in wire injury model. These findings suggest that ATP7A plays an important role in copper-dependent PDGF-stimulated VSMC migration via recruiting Rac1 to lipid rafts at the leading edge, as well as regulating LOX activity. This may contribute to neointimal formation after vascular injury. Our findings provide insight into ATP7A as a novel therapeutic target for vascular remodeling and atherosclerosis.

An optimized OPC and MDP flow for reducing mask write time and mask cost

NASA Astrophysics Data System (ADS)

Yang, Ellyn; Li, Cheng He; Park, Se Jin; Zhu, Yu; Guo, Eric

2010-09-01

In the process of optical proximity correction, layout edge or fragment is migrating to proper position in order to minimize edge placement error (EPE). During this fragment migration, several factors other than EPE can be also taken into account as a part of cost function for optimal fragment displacement. Several factors are devised in favor of OPC stability, which can accommodate room for high mask error enhancement factor (MEEF), lack of process window, catastrophic pattern failure such as pinch/bridge and improper fragmentation. As technology node becomes finer, there happens conflict between OPC accuracy and stability. Especially for metal layers, OPC has focused on the stability by loss of accurate OPC results. On this purpose, several techniques have been introduced, which are target smoothing, process window aware OPC, model-based retargeting and adaptive OPC. By utilizing those techniques, OPC enables more stabilized patterning, instead of realizing design target exactly on wafer. Inevitably, post-OPC layouts become more complicated because those techniques invoke additional edge, or fragments prior to correction or during OPC iteration. As a result, jogs of post OPC layer can be dramatically increased, which results in huge number of shot count after data fracturing. In other words, there is trade-off relationship between data complexity and various methods for OPC stability. In this paper, those relationships have been investigated with respect to several technology nodes. The mask shot count reduction is achieved by reducing the number of jogs with which EPE difference are within pre-specified value. The effect of jog smoothing on OPC output - in view of OPC performance and mask data preparation - was studied quantitatively for respective technology nodes.

Quantum physics: Interactions propel a magnetic dance

NASA Astrophysics Data System (ADS)

Leblanc, Lindsay J.

2017-06-01

A combination of leading-edge techniques has enabled interaction-induced magnetic motion to be observed for pairs of ultracold atoms -- a breakthrough in the development of models of complex quantum behaviour. See Letter p.519

Atomic Scale Study on Growth and Heteroepitaxy of ZnO Monolayer on Graphene.

PubMed

Hong, Hyo-Ki; Jo, Junhyeon; Hwang, Daeyeon; Lee, Jongyeong; Kim, Na Yeon; Son, Seungwoo; Kim, Jung Hwa; Jin, Mi-Jin; Jun, Young Chul; Erni, Rolf; Kwak, Sang Kyu; Yoo, Jung-Woo; Lee, Zonghoon

2017-01-11

Atomically thin semiconducting oxide on graphene carries a unique combination of wide band gap, high charge carrier mobility, and optical transparency, which can be widely applied for optoelectronics. However, study on the epitaxial formation and properties of oxide monolayer on graphene remains unexplored due to hydrophobic graphene surface and limits of conventional bulk deposition technique. Here, we report atomic scale study of heteroepitaxial growth and relationship of a single-atom-thick ZnO layer on graphene using atomic layer deposition. We demonstrate atom-by-atom growth of zinc and oxygen at the preferential zigzag edge of a ZnO monolayer on graphene through in situ observation. We experimentally determine that the thinnest ZnO monolayer has a wide band gap (up to 4.0 eV), due to quantum confinement and graphene-like structure, and high optical transparency. This study can lead to a new class of atomically thin two-dimensional heterostructures of semiconducting oxides formed by highly controlled epitaxial growth.

Composite Elastic Skins for Shape-Changing Structures

NASA Technical Reports Server (NTRS)

Cagle, Christopher M.; Schlecht, Robin W.

2007-01-01

Composite elastic skins having tailorable mechanical properties have been invented for covering shape-changing ( morphable ) structures. These skins are intended especially for use on advanced aircraft that change shapes in order to assume different aerodynamic properties. Many of the proposals for aircraft that could perform large aerodynamic shape changes require flexible skins that could follow shape changes of internal structures driven by actuators. Examples of such shape changes can include growth or shrinkage of bumps, conformal changes in wing planforms, cambers, twists, and bending of integrated leading- and trailing-edge flaps. Prior to this invention, there was no way of providing smooth aerodynamic surfaces capable of large deflections while maintaining smoothness and sufficient rigidity. Although latex rubber, silicone rubber, and similar conventional materials can be made into smooth coverings, they are not suitable for this purpose because, in order to impart required stiffness against out-of-plane bending, it would be necessary to make the coverings excessively thick, thereby necessitating the use of impractically large actuation forces. The basic idea of the invention is that of smoothly wrapping an underlying variable structure with a smooth skin that can be stretched or otherwise warped with low actuation force in one or both in-plane direction(s) and is relatively stiff against out-of-plane bending. It is envisioned that a skin according to the invention could be stretched as much as 20 percent in a desired direction. Because this basic idea admits of numerous variations, the following description is necessarily oversimplified for the sake of brevity.

Negative dysphotopsia: A perfect storm.

PubMed

Henderson, Bonnie An; Geneva, Ivayla I

2015-10-01

The objective of this review was to provide a summary of the peer-reviewed literature on the etiologies of negative dysphotopsia that occurs after routine cataract surgery. A search of PubMed, Google Scholar, and Retina Medical identified 59 reports. Negative dysphotopsia has been associated with many types of intraocular lenses (IOLs), including hydrophobic and hydrophilic acrylic, silicone, and 1-piece and 3-piece designs. Proposed etiologies include edge design, edge smoothness, edge thickness, index of refraction of the IOL, pupil size, amount of functional nasal retina, edema from the clear corneal incision, distance between the iris and IOL, amount of pigmentation of the eye, corneal shape, prominent globe and shallow orbit, and interaction between the anterior capsulorhexis and IOL. Treatments include a piggyback IOL, reverse optic capture, dilation of the pupil, constriction of the pupil, neodymium:YAG capsulotomy of the nasal portion of the anterior capsule, IOL exchange with round-edged optics, and time alone. This review summarizes the findings. Dr. Henderson is a consultant to Alcon Laboratories, Inc., Abbott Medical Optics, Inc., Bausch & Lomb, and Genzyme Corp. Neither author has a financial or proprietary interest in any material or method mentioned. Copyright © 2015 ASCRS and ESCRS. Published by Elsevier Inc. All rights reserved.

A robotic platform for studying sea lion thrust production

NASA Astrophysics Data System (ADS)

Leftwich, Megan; Patel, Rahi; Kulkarni, Aditya; Friedman, Chen

California Sea Lions are agile swimmers and, uniquely, use their foreflippers (rather than hind flipper undulation) to generate thrust. Recently, a sea lion flipper from a deceased subject was externally scanned in high detail for fluid dynamics research. The flipper's geometry is used in this work to build an accurate scaled down flipper model (approximately 68% of the full size span). The flipper model is placed in a water flume to obtain lift and drag force measurements. The unique trailing edge features are then examined for their effect on the measured forces by comparing to similar flipper models with a smooth trailing edge, sinusoidal trailing edge, and a saw-tooth trailing edge. Additionally, a robotic flipper is being designed and built, replicating the sea lion foreflipper anatomical structure. The robot is actuated by a set of servo motors and replicates the sea lion flipper clap motion based on previously extracted kinematics. The flipper tip speed is designed to match typical full scale Reynolds numbers for an acceleration from rest maneuver. The model is tested in the water flume as well to obtain the forces and flow structures during the thrust production phase of the flipper motion.

Deinterlacing using modular neural network

NASA Astrophysics Data System (ADS)

Woo, Dong H.; Eom, Il K.; Kim, Yoo S.

2004-05-01

Deinterlacing is the conversion process from the interlaced scan to progressive one. While many previous algorithms that are based on weighted-sum cause blurring in edge region, deinterlacing using neural network can reduce the blurring through recovering of high frequency component by learning process, and is found robust to noise. In proposed algorithm, input image is divided into edge and smooth region, and then, to each region, one neural network is assigned. Through this process, each neural network learns only patterns that are similar, therefore it makes learning more effective and estimation more accurate. But even within each region, there are various patterns such as long edge and texture in edge region. To solve this problem, modular neural network is proposed. In proposed modular neural network, two modules are combined in output node. One is for low frequency feature of local area of input image, and the other is for high frequency feature. With this structure, each modular neural network can learn different patterns with compensating for drawback of counterpart. Therefore it can adapt to various patterns within each region effectively. In simulation, the proposed algorithm shows better performance compared with conventional deinterlacing methods and single neural network method.

Excitation and relaxation of metastable atomic states in an active medium of a repetitively pulsed copper vapour laser

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bokhan, P A; Zakrevskii, D E; Lavrukhin, M A

2016-02-28

The influence of a pre-pulse population of copper atom metastable states and their sub-population at a current pulse edge on the copper vapour laser pulse energy is studied under optimal temperature conditions. Experiments have been performed with active elements of a commercial laser having an internal diameter of a discharge channel of 14 and 20 mm. It is found that at a pulse repetition frequency of 12 – 14 kHz, corresponding to a maximal output power, the reduction of the energy due to a residual population of metastable states is by an order of magnitude less than due to theirmore » sub-population at a current pulse edge. The modelling based on the experimental results obtained has shown that in the case of an active element with an internal diameter of 14 mm, a decrease in the pulse leading edge from ∼25 ns to 0.6 ns does not reduce the laser pulse energy up to the repetition frequency of ∼50 kHz at an average output power of 70 W m{sup -1} and efficiency of ∼11%. (lasers)« less

Surface hydrogenation regulated wrinkling and torque capability of hydrogenated graphene annulus under circular shearing.

PubMed

Li, Yinfeng; Liu, Silin; Datta, Dibakar; Li, Zhonghua

2015-11-12

Wrinkles as intrinsic topological feature have been expected to affect the electrical and mechanical properties of atomically thin graphene. Molecular dynamics simulations are adopted to investigate the wrinkling characteristics in hydrogenated graphene annulus under circular shearing at the inner edge. The amplitude of wrinkles induced by in-plane rotation around the inner edge is sensitive to hydrogenation, and increases quadratically with hydrogen coverage. The effect of hydrogenation on mechanical properties is investigated by calculating the torque capability of annular graphene with varying hydrogen coverage and inner radius. Hydrogenation-enhanced wrinkles cause the aggregation of carbon atoms towards the inner edge and contribute to the critical torque strength of annulus. Based on detailed stress distribution contours, a shear-to-tension conversion mechanism is proposed for the contribution of wrinkles on torque capacity. As a result, the graphane annulus anomalously has similar torque capacity to pristine graphene annulus. The competition between hydrogenation caused bond strength deterioration and wrinkling induced local stress state conversion leads to a U-shaped evolution of torque strength relative to the increase of hydrogen coverage from 0 to 100%. Such hydrogenation tailored topological and mechanical characteristics provides an innovative mean to develop novel graphene-based devices.

Combination of first-principles molecular dynamics and XANES simulations for LiCoO2-electrolyte interfacial reactions in a lithium-ion battery

NASA Astrophysics Data System (ADS)

Tamura, Tomoyuki; Kohyama, Masanori; Ogata, Shuji

2017-07-01

We performed a first-principles molecular dynamics (FPMD) simulation of the interfacial reactions between a LiCoO2 electrode and a liquid ethylene carbonate (EC) electrolyte. For configurations during the FPMD simulation, we also performed first-principles Co K-edge x-ray absorption near-edge structure (XANES) simulations, which can properly reproduce the bulk and surface spectra of LiCoO2. We observed strong absorption of an EC molecule on the LiCoO2 {110} surface, involving ring opening of the molecule, bond formation between oxygen atoms in the molecule and surface Co ions, and emission of one surface Li ion, while all the surface Co ions remain Co3 +. The surface Co ions having the bond with an oxygen atom in the molecule showed remarkable changes in simulated K-edge spectra which are similar to those of the in situ observation under electrolyte soaking [D. Takamatsu et al., Angew. Chem., Int. Ed. 51, 11597 (2012), 10.1002/anie.201203910]. Thus, the local environmental changes of surface Co ions due to the reactions with an EC molecule can explain the experimental spectrum changes.

SPH with dynamical smoothing length adjustment based on the local flow kinematics

NASA Astrophysics Data System (ADS)

Olejnik, Michał; Szewc, Kamil; Pozorski, Jacek

2017-11-01

Due to the Lagrangian nature of Smoothed Particle Hydrodynamics (SPH), the adaptive resolution remains a challenging task. In this work, we first analyse the influence of the simulation parameters and the smoothing length on solution accuracy, in particular in high strain regions. Based on this analysis we develop a novel approach to dynamically adjust the kernel range for each SPH particle separately, accounting for the local flow kinematics. We use the Okubo-Weiss parameter that distinguishes the strain and vorticity dominated regions in the flow domain. The proposed development is relatively simple and implies only a moderate computational overhead. We validate the modified SPH algorithm for a selection of two-dimensional test cases: the Taylor-Green flow, the vortex spin-down, the lid-driven cavity and the dam-break flow against a sharp-edged obstacle. The simulation results show good agreement with the reference data and improvement of the long-term accuracy for unsteady flows. For the lid-driven cavity case, the proposed dynamical adjustment remedies the problem of tensile instability (particle clustering).

Heat loads on poloidal and toroidal edges of castellated plasma-facing components in COMPASS

NASA Astrophysics Data System (ADS)

Dejarnac, R.; Corre, Y.; Vondracek, P.; Gaspar, J.; Gauthier, E.; Gunn, J. P.; Komm, M.; Gardarein, J.-L.; Horacek, J.; Hron, M.; Matejicek, J.; Pitts, R. A.; Panek, R.

2018-06-01

Dedicated experiments have been performed in the COMPASS tokamak to thoroughly study the power deposition processes occurring on poloidal and toroidal edges of castellated plasma-facing components in tokamaks during steady-state L-mode conditions. Surface temperatures measured by a high resolution infra-red camera are compared with reconstructed synthetic data from a 2D thermal model using heat flux profiles derived from both the optical approximation and 2D particle-in-cell (PIC) simulations. In the case of poloidal leading edges, when the contribution from local radiation is taken into account, the parallel heat flux deduced from unperturbed, upstream measurements is fully consistent with the observed temperature increase at the leading edges of various heights, respecting power balance assuming simple projection of the parallel flux density. Smoothing of the heat flux deposition profile due to finite ion Larmor radius predicted by the PIC simulations is found to be weak and the power deposition on misaligned poloidal edges is better described by the optical approximation. This is consistent with an electron-dominated regime associated with a non-ambipolar parallel current flow. In the case of toroidal gap edges, the different contributions of the total incoming flux along the gap have been observed experimentally for the first time. They confirm the results of recent numerical studies performed for ITER showing that in specific cases the heat deposition does not necessarily follow the optical approximation. Indeed, ions can spiral onto the magnetically shadowed toroidal edge. Particle-in-cell simulations emphasize again the role played by local non-ambipolarity in the deposition pattern.

System related testing and analysis of FRECOPA

NASA Technical Reports Server (NTRS)

Durin, Christian

1992-01-01

Results from the French Cooperative Payload (FRECOPA) system analysis are presented. It was one of the numerous experiments which were flown on the Long Duration Exposure Facility (LDEF) satellite. In our flight configuration (LEO orbit, trailing edge), the environment was a better vacuum than the leading edge, with many thermal cycles (32000) and a large amount of UV radiation (11100 equivalent sun hours). Also, the satellite was mainly bombarded by micro-particles. It saw a low atomic flux and minor doses of protons and electrons.

A Scalable Distributed Syntactic, Semantic, and Lexical Language Model

DTIC Science & Technology

2012-09-01

Here pa(τ) denotes the set of parent states of τ. If the recursive factorization refers to a graph , then we have a Bayesian network (Lauritzen 1996...Broadly speaking, however, the recursive factorization can refer to a representation more complicated than a graph with a fixed set of nodes and edges...factored language (FL) model (Bilmes and Kirchhoff 2003) is close to the smoothing technique we propose here, the major difference is that FL

[Scanning electron microscopic investigations of cutting edge quality in lamellar keratotomy using the Wavelight femtosecond laser (FS-200) : What influence do spot distance and an additional tunnel have?

PubMed

Hammer, T; Höche, T; Heichel, J

2018-01-01

Femtosecond lasers (fs-lasers) are established cutting instruments for the creation of LASIK flaps. Previous studies often showed even rougher surfaces after application of fs-laser systems compared to lamellar keratotomy with mechanical microkeratomes. When cutting the cornea with fs-lasers, an intrastromal gas development occurs, which has a potentially negative influence on the cutting quality if the gas cannot be dissipated; therefore, manufacturers have chosen the way of gas assimilation in so-called pockets. The investigated system creates a tunnel which opens under the conjunctiva. The aim of this study was to investigate the effects of a tunnel as well as the influence of different spot distances on the quality of cut surfaces and edges. In this experimental study on freshly enucleated porcine eyes (n = 15), the following cuts were carried out with the FS-200 (Wavelight, Erlangen, Germany): 1. standard setting (spot and line separation 8 µm), 2. with tunnel for gas drainage, 3. without gas-conducting tunnel, 4. with increased spot spacing (spot and line separation 9 μm instead of 8 μm) and 5. with reduced spot spacing (spot and line separation 7 μm instead of 8 μm). Subsequently, scanning electron microscopy (FEI Quanta 650, Hillsboro, OR) of the cut edges and surfaces as well as the gas drain tunnel were performed. The evaluation was based on an established score. The current fs-laser system (200 Hz) is able to create smooth cutting surfaces and sharp edges. The changed density of laser pulses compared to the standard settings with a reduced or increased distance between the pulses, did not achieve any further improvement in the surface quality. The gas-conducting tunnel could be detected by scanning electron microscope. In the case of cutting without a tunnel, roughened surfaces and irregularities on the cutting edges were found. When the FS-200 fs-laser is used, LASIK cuts with very smooth cut surfaces and sharp cutting edges are achieved. This is only valid as long as an additional tunnel with the fs-laser is placed under the conjunctiva. It can be assumed that the resulting gas is effectively drained through this tunnel. The installation of the tunnel represents a new possibility to replace previous techniques of gas assimilation in deeper lying cutting areas.

Icosahedral quasicrystals as twins of cubic crystals containing large icosahedral clusters of atoms: The 1012-atom primitive cubic structure of Al(6)CuLi(3), the C-phase Al(37)Cu(3)Li(21)Mg(3), and GaMg(2)Zn(3).

PubMed

Pauling, L

1988-06-01

Single-grain precession x-ray diffraction photographs of Al(6)CuLi(3) have been successfully indexed on the basis of icosahedral twinning of cubic crystals with a 1012-atom primitive cubic unit with edge 25.70 A, giving support to the proposal that the so-called icosahedral quasicrystals are twins of crystals containing eight large icosahedral clusters in the beta-W arrangement. In this compound two of the clusters consist of 104 atoms and six consist of 136 atoms, with 24 atoms shared. The same structure is assigned to the C-phase, Al(37)Cu(3)Li(21)Mg(3), and to GaMg(2)Zn(3). A theory of icosahedral quasicrystals and amorphous metals is described.

Icosahedral quasicrystals as twins of cubic crystals containing large icosahedral clusters of atoms: The 1012-atom primitive cubic structure of Al6CuLi3, the C-phase Al37Cu3Li21Mg3, and GaMg2Zn3

PubMed Central

Pauling, Linus

1988-01-01

Single-grain precession x-ray diffraction photographs of Al6CuLi3 have been successfully indexed on the basis of icosahedral twinning of cubic crystals with a 1012-atom primitive cubic unit with edge 25.70 Å, giving support to the proposal that the so-called icosahedral quasicrystals are twins of crystals containing eight large icosahedral clusters in the β-W arrangement. In this compound two of the clusters consist of 104 atoms and six consist of 136 atoms, with 24 atoms shared. The same structure is assigned to the C-phase, Al37Cu3Li21Mg3, and to GaMg2Zn3. A theory of icosahedral quasicrystals and amorphous metals is described. PMID:16593929

A note on Kirchhoff index

NASA Astrophysics Data System (ADS)

Zhou, Bo; Trinajstić, Nenad

2008-03-01

We report lower bounds for the Kirchhoff index of a connected (molecular) graph in terms of its structural parameters such as the number of vertices (atoms), the number of edges (bonds), maximum vertex degree (valency), connectivity and chromatic number.

Towards simultaneous measurements of electronic and structural properties in ultra-fast x-ray free electron laser absorption spectroscopy experiments

NASA Astrophysics Data System (ADS)

Gaudin, J.; Fourment, C.; Cho, B. I.; Engelhorn, K.; Galtier, E.; Harmand, M.; Leguay, P. M.; Lee, H. J.; Nagler, B.; Nakatsutsumi, M.; Ozkan, C.; Störmer, M.; Toleikis, S.; Tschentscher, Th; Heimann, P. A.; Dorchies, F.

2014-04-01

The rapidly growing ultrafast science with X-ray lasers unveils atomic scale processes with unprecedented time resolution bringing the so called ``molecular movie'' within reach. X-ray absorption spectroscopy is one of the most powerful x-ray techniques providing both local atomic order and electronic structure when coupled with ad-hoc theory. Collecting absorption spectra within few x-ray pulses is possible only in a dispersive setup. We demonstrate ultrafast time-resolved measurements of the LIII-edge x-ray absorption near-edge spectra of irreversibly laser excited Molybdenum using an average of only few x-ray pulses with a signal to noise ratio limited only by the saturation level of the detector. The simplicity of the experimental set-up makes this technique versatile and applicable for a wide range of pump-probe experiments, particularly in the case of non-reversible processes.

Towards simultaneous measurements of electronic and structural properties in ultra-fast x-ray free electron laser absorption spectroscopy experiments

PubMed Central

Gaudin, J.; Fourment, C.; Cho, B. I.; Engelhorn, K.; Galtier, E.; Harmand, M.; Leguay, P. M.; Lee, H. J.; Nagler, B.; Nakatsutsumi, M.; Ozkan, C.; Störmer, M.; Toleikis, S.; Tschentscher, Th; Heimann, P. A.; Dorchies, F.

2014-01-01

The rapidly growing ultrafast science with X-ray lasers unveils atomic scale processes with unprecedented time resolution bringing the so called “molecular movie” within reach. X-ray absorption spectroscopy is one of the most powerful x-ray techniques providing both local atomic order and electronic structure when coupled with ad-hoc theory. Collecting absorption spectra within few x-ray pulses is possible only in a dispersive setup. We demonstrate ultrafast time-resolved measurements of the LIII-edge x-ray absorption near-edge spectra of irreversibly laser excited Molybdenum using an average of only few x-ray pulses with a signal to noise ratio limited only by the saturation level of the detector. The simplicity of the experimental set-up makes this technique versatile and applicable for a wide range of pump-probe experiments, particularly in the case of non-reversible processes. PMID:24740172

First principles pseudopotential calculation of electron energy loss near edge structures of lattice imperfections.

PubMed

Mizoguchi, Teruyasu; Matsunaga, Katsuyuki; Tochigi, Eita; Ikuhara, Yuichi

2012-01-01

Theoretical calculations of electron energy loss near edge structures (ELNES) of lattice imperfections, particularly a Ni(111)/ZrO₂(111) heterointerface and an Al₂O₃ stacking fault on the {1100} plane, are performed using a first principles pseudopotential method. The present calculation can qualitatively reproduce spectral features as well as chemical shifts in experiment by employing a special pseudopotential designed for the excited atom with a core-hole. From the calculation, spectral changes observed in O-K ELNES from a Ni/ZrO₂ interface can be attributable to interfacial oxygen-Ni interactions. In the O-K ELNES of Al₂O₃ stacking faults, theoretical calculation suggests that the spectral feature reflects coordination environment and chemical bonding. Powerful combinations of ELNES with a pseudopotential method used to investigate the atomic and electronic structures of lattice imperfections are demonstrated. Copyright © 2011 Elsevier Ltd. All rights reserved.

Study of p-diaminobenzene Adsorption on Au(111) by Scanning Tunneling Microscopy

NASA Astrophysics Data System (ADS)

Zhou, Hui; Hu, Zonghai; Eom, Daejin; Rim, Kwang; Liu, Li; Flynn, George; Venkataraman, Latha; Morgante, Alberto; Heinz, Tony

2008-03-01

From the well-defined conductivity obtained for various individual diamino-substituted molecules spanning two gold contacts, as well as from theoretical analysis [1], researchers have suggested that amines adsorb preferentially to coordinatively unsaturated surface Au atoms through the N lone pair. To understand the nature of the amine binding, we have applied ultrahigh vacuum scanning tunneling microscope (STM) to investigate the adsorption of p-diaminobenzene molecules on the reconstructed Au(111) surface. The STM topography images (taken at 4 K) show that the molecules adsorb preferentially to step edges, corresponding to sites of reduced Au atom coordination. The adsorbed molecules are found to display a distinctive orientation along the step edges. The two-lobe topographic structure of each molecule seen by STM is compatible with the previously calculated charge density of the HOMO level. [1] L. Venkataraman at el., Nano Lett. 7, 502 (2007).

Theoretical study on electronic properties of MoS{sub 2} antidot lattices

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shao, Li; Chen, Guangde; Ye, Honggang, E-mail: hgye@mail.xjtu.edu.cn

2014-09-21

Motivated by the state of the art method for etching hexagonal array holes in molybdenum disulfide (MoS{sub 2}), the electronic properties of MoS{sub 2} antidot lattices (MoS{sub 2}ALs) with zigzag edge were studied with first-principles calculations. Monolayer MoS{sub 2}ALs are semiconducting and the band gaps converge to constant values as the supercell area increases, which can be attributed to the edge effect. Multilayer MoS{sub 2}ALs and chemical adsorbed MoS{sub 2}ALs by F atoms show metallic behavior, while the structure adsorbed with H atoms remains to be semiconducting with a tiny bandgap. Our results show that forming periodically repeating structures inmore » MoS{sub 2} can develop a promising technique for engineering nano materials and offer new opportunities for designing MoS{sub 2}-based nanoscale electronic devices and chemical sensors.« less

Multi-functional spintronic devices based on boron- or aluminum-doped silicene nanoribbons

NASA Astrophysics Data System (ADS)

Liu, Y. S.; Dong, Y. J.; Zhang, J.; Yu, H. L.; Feng, J. F.; Yang, X. F.

2018-03-01

Zigzag silicene nanoribbons (ZSiNRs) in the ferromagnetic edge ordering have a metallic behavior, which limits their applications in spintronics. Here a robustly half-metallic property is achieved by the boron substitution doping at the edge of ZSiNRs. When the impurity atom is replaced by the aluminum atom, the doped ZSiNRs possess a spin semiconducting property. Its band gap is suppressed with the increase of ribbon’s width, and a pure thermal spin current is achieved by modulating ribbon’s width. Moreover, a negative differential thermoelectric resistance in the thermal charge current appears as the temperature gradient increases, which originates from the fact that the spin-up and spin-down thermal charge currents have diverse increasing rates at different temperature gradient regions. Our results put forward a promising route to design multi-functional spintronic devices which may be applied in future low-power-consumption technologies.

Magnetic Binary Silicide Nanostructures.

PubMed

Goldfarb, Ilan; Cesura, Federico; Dascalu, Matan

2018-05-02

In spite of numerous advantageous properties of silicides, magnetic properties are not among them. Here, the magnetic properties of epitaxial binary silicide nanostructures are discussed. The vast majority of binary transition-metal silicides lack ferromagnetic order in their bulk-size crystals. Silicides based on rare-earth metals are usually weak ferromagnets or antiferromagnets, yet both groups tend to exhibit increased magnetic ordering in low-dimensional nanostructures, in particular at low temperatures. The origin of this surprising phenomenon lies in undercoordinated atoms at the nanostructure extremities, such as 2D (surfaces/interfaces), 1D (edges), and 0D (corners) boundaries. Uncompensated superspins of edge atoms increase the nanostructure magnetic shape anisotropy to the extent where it prevails over its magnetocrystalline counterpart, thus providing a plausible route toward the design of a magnetic response from nanostructure arrays in Si-based devices, such as bit-patterned magnetic recording media and spin injectors. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Fast Time-Dependent Density Functional Theory Calculations of the X-ray Absorption Spectroscopy of Large Systems.

PubMed

Besley, Nicholas A

2016-10-11

The computational cost of calculations of K-edge X-ray absorption spectra using time-dependent density functional (TDDFT) within the Tamm-Dancoff approximation is significantly reduced through the introduction of a severe integral screening procedure that includes only integrals that involve the core s basis function of the absorbing atom(s) coupled with a reduced quality numerical quadrature for integrals associated with the exchange and correlation functionals. The memory required for the calculations is reduced through construction of the TDDFT matrix within the absorbing core orbitals excitation space and exploiting further truncation of the virtual orbital space. The resulting method, denoted fTDDFTs, leads to much faster calculations and makes the study of large systems tractable. The capability of the method is demonstrated through calculations of the X-ray absorption spectra at the carbon K-edge of chlorophyll a, C 60 and C 70 .

Towards simultaneous measurements of electronic and structural properties in ultra-fast x-ray free electron laser absorption spectroscopy experiments

DOE PAGES

Gaudin, J.; Fourment, C.; Cho, B. I.; ...

2014-04-17

The rapidly growing ultrafast science with X-ray lasers unveils atomic scale processes with unprecedented time resolution bringing the so called “molecular movie” within reach. X-ray absorption spectroscopy is one of the most powerful x-ray techniques providing both local atomic order and electronic structure when coupled with ad-hoc theory. Collecting absorption spectra within few x-ray pulses is possible only in a dispersive setup. We demonstrate ultrafast time-resolved measurements of the LIII-edge x-ray absorption near-edge spectra of irreversibly laser excited Molybdenum using an average of only few x-ray pulses with a signal to noise ratio limited only by the saturation level ofmore » the detector. The simplicity of the experimental set-up makes this technique versatile and applicable for a wide range of pump-probe experiments, particularly in the case of non-reversible processes.« less

Thermodynamics and kinetics of graphene chemistry: a graphene hydrogenation prototype study.

PubMed

Pham, Buu Q; Gordon, Mark S

2016-12-07

The thermodynamic and kinetic controls of graphene chemistry are studied computationally using a graphene hydrogenation reaction and polyaromatic hydrocarbons to represent the graphene surface. Hydrogen atoms are concertedly chemisorped onto the surface of graphene models of different shapes (i.e., all-zigzag, all-armchair, zigzag-armchair mixed edges) and sizes (i.e., from 16-42 carbon atoms). The second-order Z-averaged perturbation theory (ZAPT2) method combined with Pople double and triple zeta basis sets are used for all calculations. It is found that both the net enthalpy change and the barrier height of graphene hydrogenation at graphene edges are lower than at their interior surfaces. While the thermodynamic product distribution is mainly determined by the remaining π-islands of functionalized graphenes (Phys. Chem. Chem. Phys., 2013, 15, 3725-3735), the kinetics of the reaction is primarily correlated with the localization of the electrostatic potential of the graphene surface.

Large Thermal Motion in Halide Perovskites

DOE PAGES

Tyson, T. A.; Gao, W.; Chen, Y. -S.; ...

2017-08-24

Solar cells based on hybrid perovskites have shown high efficiency while possessing simple processing methods. To gain a fundamental understanding of their properties on an atomic level, we investigate single crystals of CH 3NH 3PbI 3 with a narrow transition (~5 K) near 327 K. Temperature dependent structural measurements reveal a persistent tetragonal structure with smooth changes in the atomic displacement parameters (ADPs) on crossing T*. We show that the ADPs for I ions yield extended flat regions in the potential wells consistent with the measured large thermal expansion parameter. Molecular dynamics simulations reveal that this material exhibits significant asymmetriesmore » in the Pb-I pair distribution functions. We also show that the intrinsically enhanced freedom of motion of the iodine atoms enables large deformations. This flexibility (softness) of the atomic structure results in highly localized atomic relaxation about defects and hence accounts for both the high carrier mobility as well as the structural instability.« less

Atomic-scale epitaxial aluminum film on GaAs substrate

NASA Astrophysics Data System (ADS)

Fan, Yen-Ting; Lo, Ming-Cheng; Wu, Chu-Chun; Chen, Peng-Yu; Wu, Jenq-Shinn; Liang, Chi-Te; Lin, Sheng-Di

2017-07-01

Atomic-scale metal films exhibit intriguing size-dependent film stability, electrical conductivity, superconductivity, and chemical reactivity. With advancing methods for preparing ultra-thin and atomically smooth metal films, clear evidences of the quantum size effect have been experimentally collected in the past two decades. However, with the problems of small-area fabrication, film oxidation in air, and highly-sensitive interfaces between the metal, substrate, and capping layer, the uses of the quantized metallic films for further ex-situ investigations and applications have been seriously limited. To this end, we develop a large-area fabrication method for continuous atomic-scale aluminum film. The self-limited oxidation of aluminum protects and quantizes the metallic film and enables ex-situ characterizations and device processing in air. Structure analysis and electrical measurements on the prepared films imply the quantum size effect in the atomic-scale aluminum film. Our work opens the way for further physics studies and device applications using the quantized electronic states in metals.

The Erosion of Diamond and Highly Oriented Pyrolytic Graphite After 1.5 Years of Space Exposure

NASA Technical Reports Server (NTRS)

De Groh, Kim K.; Banks, Bruce A.

2018-01-01

Polymers and other oxidizable materials on the exterior of spacecraft in the low Earth orbit (LEO) space environment can be eroded due to reaction with atomic oxygen (AO). Therefore, in order to design durable spacecraft, it is important to know the LEO AO erosion yield (Ey, volume loss per incident oxygen atom) of materials susceptible to AO reaction. The Polymers Experiment was developed to determine the AO Ey of various polymers and other materials flown in ram and wake orientations in LEO. The experiment was flown as part of the Materials International Space Station Experiment 7 (MISSE 7) mission for 1.5 years on the exterior of the International Space Station (ISS). As part of the experiment, a sample containing Class 2A diamond (100 plane) and highly oriented pyrolytic graphite (HOPG, basal and edge planes) was exposed to ram AO and characterized for erosion. The materials were salt-sprayed prior to flight to provide isolated sites of AO protection. The Ey of the samples was determined through post-flight electron microscopy recession depth measurements. The experiment also included a Kapton H witness sample for AO fluence determination. This paper provides an overview of the MISSE 7 mission, a description of the flight experiment, the characterization techniques used, the mission AO fluence, and the LEO Ey results for diamond and HOPG (basal and edge planes). The data is compared to the Ey of pyrolytic graphite exposed to four years of space exposure as part of the MISSE 2 mission. The results indicate that diamond erodes, but with a very low Ey of 1.58 +/- 0.04 x 10(exp -26) cm(exp 3)/atom. The different HOPG planes displayed significantly different amounts of erosion from each other. The HOPG basal plane had an Ey of 1.05 +/- 0.08 x 10(exp -24) cm(exp 3)/atom while the edge plane had a lower Ey of only 5.38 +/- 0.90 x 10(exp -25) -cm(exp 3)/atom. The Ey data from this ISS spaceflight experiment provides valuable information for understanding of chemistry and chemical structure dependent modeling of AO erosion.

MO-FG-CAMPUS-IeP2-04: Multiple Penalties with Different Orders for Structure Adaptive CBCT Reconstruction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shi, Q; Cheng, P; Tan, S

2016-06-15

Purpose: To combine total variation (TV) and Hessian penalty in a structure adaptive way for cone-beam CT (CBCT) reconstruction. Methods: TV is a widely used first order penalty with good ability in suppressing noise and preserving edges but leads to the staircase effect in regions with smooth intensity transition. The second order Hessian penalty can effectively suppress the staircase effect with extra cost of blurring object edges. To take the best of both penalties we proposed a novel method to combine both for CBCT reconstruction in a structure adaptive way. The proposed method adaptively determined the weight of each penaltymore » according to the geometry of local regions. An specially-designed exponent term with image gradient involved was used to characterize the local geometry such that the weights for Hessian and TV were 1 and 0 respectively at uniform local regions and 0 and 1 at edge regions. For other local regions the weights varied from 0 to 1. The objective functional was minimized using the majorzationminimization approach. We evaluated the proposed method on a modified 3D shepp-logan and a CatPhan 600 phantom. The full-width-at-halfmaximum (FWHM) and contrast-to-noise (CNR) were calculated. Results: For 3D shepp-logan the reconstructed images using TV had an obvious staircase effect while those using the proposed method and Hessian preserved the smooth transition regions well. FWHMs of the proposed method TV and Hessian penalty were 1.75 1.61 and 3.16 respectively, indicating that both TV and the proposed method is able to preserve edges. For CatPhan 600 CNR values of the proposed method were similar to those of TV and Hessian. Conclusion: The proposed method retains favorable properties of TV like preserving edges and also has the ability in better preserving gradual transition structure as Hessian does. All methods performs similarly in suppressing noise. This work was supported in part by National Natural Science Foundation of China (NNSFC) under Grant Nos.60971112 and 61375018 grants from the Cancer Prevention and Research Institute of Texas (RP130109 and RP110562-P2) National Institute of Biomedical Imaging and Bioengineering (R01 EB020366) and a grant from the American Cancer Society (RSG-13-326-01-CCE).« less

Determination of graphene's edge energy using hexagonal graphene quantum dots and PM7 method.

PubMed

Vorontsov, Alexander V; Tretyakov, Evgeny V

2018-05-18

Graphene quantum dots (GQDs) are important for a variety of applications and designs, and the shapes of GQDs rely on the energy of their boundaries. Presently, many methods have been developed for the preparation of GQDs with the required boundaries, shapes and edge terminations. However, research on the properties of GQDs and their applications is limited due to the unavailability of these compounds in pure form. In the present computational study, the standard enthalpy of formation, the standard enthalpy of formation of edges and the standard enthalpy of hydrogenation are studied for hexagonal GQDs with purely zigzag and armchair edges in non-passivated and H-passivated forms using the semiempirical quantum chemistry method pm7. The standard enthalpy of formation of the edge is found to remain constant for GQDs studied in the range of 1 to 6 nm, and the enthalpies of edge C atoms are 32.4 and 35.5 kcal mol-1 for armchair and zigzag edges, respectively. In contrast to some literature data, the standard enthalpy of formation of hydrogenated edges is far from zero, and the values are 7.3 and 8.0 kcal mol-1 C for armchair and zigzag edges, respectively. The standard enthalpy of hydrogenation is found to be -10.2 and -9.72 eV nm-1 for the armchair and zigzag edges, respectively.

Strain-Dependent Edge Structures in MoS2 Layers.

PubMed

Tinoco, Miguel; Maduro, Luigi; Masaki, Mukai; Okunishi, Eiji; Conesa-Boj, Sonia

2017-11-08

Edge structures are low-dimensional defects unavoidable in layered materials of the transition metal dichalcogenides (TMD) family. Among the various types of such structures, the armchair (AC) and zigzag (ZZ) edge types are the most common. It has been predicted that the presence of intrinsic strain localized along these edges structures can have direct implications for the customization of their electronic properties. However, pinning down the relation between local structure and electronic properties at these edges is challenging. Here, we quantify the local strain field that arises at the edges of MoS 2 flakes by combining aberration-corrected transmission electron microscopy (TEM) with the geometrical-phase analysis (GPA) method. We also provide further insight on the possible effects of such edge strain on the resulting electronic behavior by means of electron energy loss spectroscopy (EELS) measurements. Our results reveal that the two-dominant edge structures, ZZ and AC, induce the formation of different amounts of localized strain fields. We also show that by varying the free edge curvature from concave to convex, compressive strain turns into tensile strain. These results pave the way toward the customization of edge structures in MoS 2 , which can be used to engineer the properties of layered materials and thus contribute to the optimization of the next generation of atomic-scale electronic devices built upon them.

Scattering of particles in the presence of harmonic confinement perturbed by a complex absorbing potential

NASA Astrophysics Data System (ADS)

Maghari, A.; Kermani, M. M.

2018-04-01

A system of two interacting atoms confined in 1D harmonic trap and perturbed by an absorbing boundary potential is studied using the Lippmann-Schwinger formalism. The atom-atom interaction potential was considered as a nonlocal separable model. The perturbed absorbing boundary potential was also assumed in the form of Scarf II complex absorbing potential. The model is used for the study of 1D optical lattices that support the trapping of a pair atom within a unit cell. Moreover, it allows to describe the scattering particles in a tight smooth trapping surface and to analyze the bound and resonance states. The analytical expressions for wavefunctions and transition matrix as well as the absorption probabilities are calculated. A demonstration of how the complex absorbing potential affecting the bound states and resonances of particles confined in a harmonic trap is described.

Direct observation for atomically flat and ordered vertical {111} side-surfaces on three-dimensionally figured Si(110) substrate using scanning tunneling microscopy

NASA Astrophysics Data System (ADS)

Yang, Haoyu; Hattori, Azusa N.; Ohata, Akinori; Takemoto, Shohei; Hattori, Ken; Daimon, Hiroshi; Tanaka, Hidekazu

2017-11-01

A three-dimensional Si{111} vertical side-surface structure on a Si(110) wafer was fabricated by reactive ion etching (RIE) followed by wet-etching and flash-annealing treatments. The side-surface was studied with scanning tunneling microscopy (STM) in atomic scale for the first time, in addition to atomic force microscopy (AFM), scanning electron microscopy (SEM), and low-energy electron diffraction (LEED). AFM and SEM showed flat and smooth vertical side-surfaces without scallops, and STM proved the realization of an atomically-flat 7 × 7-reconstructed structure, under optimized RIE and wet-etching conditions. STM also showed that a step-bunching occurred on the produced {111} side-surface corresponding to a reversely taped side-surface with a tilt angle of a few degrees, but did not show disordered structures. Characteristic LEED patterns from both side- and top-reconstructed surfaces were also demonstrated.

Spirit Scans Winter Haven (False Color)

NASA Technical Reports Server (NTRS)

2006-01-01

At least three different kinds of rocks await scientific analysis at the place where NASA's Mars Exploration Rover Spirit will likely spend several months of Martian winter. They are visible in this picture, which the panoramic camera on Spirit acquired during the rover's 809th sol, or Martian day, of exploring Mars (April 12, 2006). Paper-thin layers of light-toned, jagged-edged rocks protrude horizontally from beneath small sand drifts; a light gray rock with smooth, rounded edges sits atop the sand drifts; and several dark gray to black, angular rocks with vesicles (small holes) typical of hardened lava lie scattered across the sand.

This view is a false-color rendering that combines images taken through the panoramic camera's 753-nanometer, 535-nanometer, and 432-nanometer filters.

Generation of three-dimensional delaunay meshes from weakly structured and inconsistent data

NASA Astrophysics Data System (ADS)

Garanzha, V. A.; Kudryavtseva, L. N.

2012-03-01

A method is proposed for the generation of three-dimensional tetrahedral meshes from incomplete, weakly structured, and inconsistent data describing a geometric model. The method is based on the construction of a piecewise smooth scalar function defining the body so that its boundary is the zero isosurface of the function. Such implicit description of three-dimensional domains can be defined analytically or can be constructed from a cloud of points, a set of cross sections, or a "soup" of individual vertices, edges, and faces. By applying Boolean operations over domains, simple primitives can be combined with reconstruction results to produce complex geometric models without resorting to specialized software. Sharp edges and conical vertices on the domain boundary are reproduced automatically without using special algorithms. Refs. 42. Figs. 25.