An alternative window upon the GSI sharp lepton problem

International Nuclear Information System (INIS)

Griffin, J.J.

1997-10-01

Two major heavy ion studies of the GSI ''(e + e - )-Puzzle'' have ended in stalemate: APEX reports no evidence, but its data show a peak near 800 keV. EPOS/II cannot reproduce its own results,and leans towards random fluctuations as the explanation of sharp pair lines. (But one EPOS/II report shows evidence for a peak at an EPOS/I line energy, 610 keV, and under selection conditions the same as EPOSII's.) It is clear that these latest heavy ion studies, designed to settle once and for all the question of sharp pairs, have failed to fulfill that goal. Attention must now turn towards the sharp electron lines reported by Sakai et al. and others in collisions of few MeV beta decay positrons on U and Th atoms. In the Q 0 Scenario of the Sharp Lepton Problem these arise from the same source as the GSI pairs. Verification of Sakai's 100 mb cross section for such sharp electrons in collisions of few MeV electrons (or positrons) upon U or Th atoms would confirm this new experimental window upon the Sharp Lepton Problem. These relatively simple experiments, which are both inexpensive and reproducible (as their heavy ion counterparts are not), promise a less ponderous pace for the study of these questions. On the other hand, they require a challenging combination of proficiencies to measure a nuclear sized cross section in an atomic physics environment. The authors review briefly the diverse history (and especially the most recent developments) of the Sharp Lepton Problem, and outline how the Quadronium Scenario provides it with a unifying conceptual framework. That discussion points clearly towards the experimental study of sharp leptons and sharp pairs from few MeV (lepton+ATOM) and (photon+ATOM) processes as the appropriate next step towards either verifying the earlier results or precluding them

Atomic structures and compositions of internal interfaces

Energy Technology Data Exchange (ETDEWEB)

Seidman, D.N. (Northwestern Univ., Evanston, IL (United States). Dept. of Materials Science and Engineering); Merkle, K.L. (Argonne National Lab., IL (United States))

1992-03-01

This research program addresses fundamental questions concerning the relationships between atomic structures and chemical compositions of metal/ceramic heterophase interfaces. The chemical composition profile across a Cu/MgO {l brace}111{r brace}-type heterophase interface, produced by the internal oxidation of a Cu(Mg) single phase alloy, is measured via atom-probe field-ion microscopy with a spatial resolution of 0.121 nm; this resolution is equal to the interplanar space of the {l brace}222{r brace} MgO planes. In particular, we demonstrate for the first time that the bonding across a Cu/MgO {l brace}111{r brace}-type heterophase interface, along a <111> direction common to both the Cu matrix and an MgO precipitate, has the sequence Cu{vert bar}O{vert bar}Mg{hor ellipsis} and not Cu{vert bar}Mg{vert bar}O{hor ellipsis}; this result is achieved without any deconvolution of the experimental data. Before determining this chemical sequence it was established, via high resolution electron microscopy, that the morphology of an MgO precipitate in a Cu matrix is an octahedron faceted on {l brace}111{r brace} planes with a cube-on-cube relationship between a precipitate and the matrix. First results are also presented for the Ni/Cr{sub 2}O{sub 4} interface; for this system selected area atom probe microscopy was used to analyze this interface; Cr{sub 2}O{sub 4} precipitates are located in a field-ion microscope tip and a precipitate is brought into the tip region via a highly controlled electropolishing technique.

A sharp interface Cartesian grid method for viscous simulation of shocked particle-laden flows

Science.gov (United States)

Das, Pratik; Sen, Oishik; Jacobs, Gustaaf; Udaykumar, H. S.

2017-09-01

A Cartesian grid-based sharp interface method is presented for viscous simulations of shocked particle-laden flows. The moving solid-fluid interfaces are represented using level sets. A moving least-squares reconstruction is developed to apply the no-slip boundary condition at solid-fluid interfaces and to supply viscous stresses to the fluid. The algorithms developed in this paper are benchmarked against similarity solutions for the boundary layer over a fixed flat plate and against numerical solutions for moving interface problems such as shock-induced lift-off of a cylinder in a channel. The framework is extended to 3D and applied to calculate low Reynolds number steady supersonic flow over a sphere. Viscous simulation of the interaction of a particle cloud with an incident planar shock is demonstrated; the average drag on the particles and the vorticity field in the cloud are compared to the inviscid case to elucidate the effects of viscosity on momentum transfer between the particle and fluid phases. The methods developed will be useful for obtaining accurate momentum and heat transfer closure models for macro-scale shocked particulate flow applications such as blast waves and dust explosions.

Room-temperature mobility above 2200 cm{sup 2}/V·s of two-dimensional electron gas in a sharp-interface AlGaN/GaN heterostructure

Energy Technology Data Exchange (ETDEWEB)

Chen, Jr-Tai, E-mail: jrche@ifm.liu.se; Persson, Ingemar; Nilsson, Daniel; Hsu, Chih-Wei; Palisaitis, Justinas; Forsberg, Urban; Persson, Per O. Å.; Janzén, Erik [Department of Physics, Chemistry, and Biology, Linköping University, SE 581 83 Linköping (Sweden)

2015-06-22

A high mobility of 2250 cm{sup 2}/V·s of a two-dimensional electron gas (2DEG) in a metalorganic chemical vapor deposition-grown AlGaN/GaN heterostructure was demonstrated. The mobility enhancement was a result of better electron confinement due to a sharp AlGaN/GaN interface, as confirmed by scanning transmission electron microscopy analysis, not owing to the formation of a traditional thin AlN exclusion layer. Moreover, we found that the electron mobility in the sharp-interface heterostructures can sustain above 2000 cm{sup 2}/V·s for a wide range of 2DEG densities. Finally, it is promising that the sharp-interface AlGaN/GaN heterostructure would enable low contact resistance fabrication, less impurity-related scattering, and trapping than the AlGaN/AlN/GaN heterostructure, as the high-impurity-contained AlN is removed.

Growing imbedded Ni3C-rich layer with sharp interfaces by means of ion beam mixing of C/Ni layers

International Nuclear Information System (INIS)

Barna, Arpad; Kotis, Laszlo; Labar, Janos; Sulyok, Attila; Toth, Attila L; Menyhard, Miklos; Panjan, Peter

2011-01-01

C/Ni bilayers of various layer thicknesses (20-40 nm) were ion bombarded using Ga + and Ni + projectiles of energies 20 and 30 keV. Ion bombardment resulted in the growth of a Ni 3 C rich layer with the following features: (a) sharp carbon/Ni 3 C rich layer interface, (b) the amount of Ni 3 C produced by the irradiation proportional to the square root of the fluence and dependent on the type of projectile, (c) good correlation between the distribution of vacancies produced by the ion bombardment and the distribution of Ni 3 C. The formation of the metastable Ni 3 C compound was explained by a vacancy-assisted process. The sharp interface is the consequence of a relaxation process removing the intermixed Ni from the carbon layer. The square root of fluence dependence of the thickness of the Ni 3 C-rich layer can be explained by a usual diffusion equation considering moving boundaries.

Knowledge Base Editor (SharpKBE)

Science.gov (United States)

Tikidjian, Raffi; James, Mark; Mackey, Ryan

2007-01-01

The SharpKBE software provides a graphical user interface environment for domain experts to build and manage knowledge base systems. Knowledge bases can be exported/translated to various target languages automatically, including customizable target languages.

An Eulerian method for computation of multimaterial impact with ENO shock-capturing and sharp interfaces

CERN Document Server

Udaykumar, H S; Belk, D M; Vanden, K J

2003-01-01

A technique is presented for the numerical simulation of high-speed multimaterial impact. Of particular interest is the interaction of solid impactors with targets. The computations are performed on a fixed Cartesian mesh by casting the equations governing material deformation in Eulerian conservation law form. The advantage of the Eulerian setting is the disconnection of the mesh from the boundary deformation allowing for large distortions of the interfaces. Eigenvalue analysis reveals that the system of equations is hyperbolic for the range of materials and impact velocities of interest. High-order accurate ENO shock-capturing schemes are used along with interface tracking techniques to evolve sharp immersed boundaries. The numerical technique is designed to tackle the following physical phenomena encountered during impact: (1) high velocities of impact leading to large deformations of the impactor as well as targets; (2) nonlinear wave-propagation and the development of shocks in the materials; (3) modelin...

Direct experimental determination of the atomic structure at internal interfaces

Energy Technology Data Exchange (ETDEWEB)

Browning, N.D. [Oak Ridge National Lab., TN (United States)]|[Illinois Univ., Chicago, IL (United States); Pennycook, S.J. [Oak Ridge National Lab., TN (United States)

1995-07-01

A crucial first step in understanding the effect that internal interfaces have on the properties of materials is the ability to determine the atomic structure at the interface. As interfaces can contain atomic disorder, dislocations, segregated impurities and interphases, sensitivity to all of these features is essential for complete experimental characterization. By combining Z-contrast imaging and electron energy loss spectroscopy (EELS) in a dedicated scanning transmission electron microscope (STEM), the ability to probe the structure, bonding and composition at interfaces with the necessary atomic resolution has been obtained. Experimental conditions can be controlled to provide, simultaneously, both incoherent imaging and spectroscopy. This enables interface structures observed in the image to be interpreted intuitively and the bonding in a specified atomic column to be probed directly by EELS. The bonding and structure information can then be correlated using bond-valence sum analysis to produce structural models. This technique is demonstrated for 25{degrees}, 36{degrees} and 67{degrees} symmetric and 45{degrees} and 25{degrees} asymmetric [001] tilt grain boundaries in SrTiO{sub 3} The structures of both types of boundary were found to contain partially occupied columns in the boundary plane. From these experimental results, a series of structural units were identified which could be combined, using continuity of gain boundary structure principles, to construct all [001] tilt boundaries in SrTiO{sub 3}. Using these models, the ability of this technique to address the issues of vacancies and dopant segregation at grain boundaries in electroceramics is discussed.

A One-Dimensional Quantum Interface between a Few Atoms and Weak Light

DEFF Research Database (Denmark)

Béguin, Jean-Baptiste Sylvain

Quantum interfaces between light and the collective degrees of freedom of an ensemble of identical atoms have been proposed as a valuable and promising alternative to cavity quantum electrodynamics enhanced interaction with single particles. Many features of the quantum world (e. g. multipartite...... entanglement, squeezed states), which are central to the future developments of Quantum Information Science and Metrology, can be explored with mesoscopic collective states of atoms. An efficient quantum interface needs a high optical depth for the atomic ensemble and a measurement sensitivity limited by both...... the intrinsic quantum noise of light and the quantum projection noise of atoms. This was achieved in the past in a free space optical dipole trap ensemble of Nat ∼ 10^6 atoms, which triggered the operation of a collective Ramsey atomic clock assisted by entanglement. We have characterized and prepared non...

Experimental entanglement of 25 individually accessible atomic quantum interfaces.

Science.gov (United States)

Pu, Yunfei; Wu, Yukai; Jiang, Nan; Chang, Wei; Li, Chang; Zhang, Sheng; Duan, Luming

2018-04-01

A quantum interface links the stationary qubits in a quantum memory with flying photonic qubits in optical transmission channels and constitutes a critical element for the future quantum internet. Entanglement of quantum interfaces is an important step for the realization of quantum networks. Through heralded detection of photon interference, we generate multipartite entanglement between 25 (or 9) individually addressable quantum interfaces in a multiplexed atomic quantum memory array and confirm genuine 22-partite (or 9-partite) entanglement. This experimental entanglement of a record-high number of individually addressable quantum interfaces makes an important step toward the realization of quantum networks, long-distance quantum communication, and multipartite quantum information processing.

The Sharp Lepton Quandary: Reasonable cautions

International Nuclear Information System (INIS)

Griffin, J.J.

1996-02-01

Surprisingly, the new APEX experiment designed to measure a definitive invariant mass distribution of the sharp pairs previously reported in similar heavy ion studies reports null results. Although it asserts no direct conflict with any data reported by EPOS/I, the APEX report nevertheless seems to have encouraged the view that the earlier (EPOS/I) observations were erroneous, and by extrapolation, that the whole (e + e - ) Puzzle data set can be dismissed as an unfortunate set of physically meaningless statistical fluctuations. We wish here to argue that such sweeping judgments should be postponed, on the grounds that (1) the published APEX analysis of their data is self-inconsistent, and can therefore sustain no valid inference about the EPOS/I data; (2) the data which supports the occurrence of sharp (e + e - ) pairs is much more extensive than the EPOS/I data, so that the APEX surprise must be considered as one episode in a much longer struggle finally to settle the question of whether these weak signals are significant or not; (3) a qualitative phenomenology exists which can organize the whole range of data of the Sharp Lepton Problem, and which suggests that (4) certain low energy (and low cost) experiments ought to be explored for their creation of sharp pairs; as follows: the study of pairs emitted following scattering of few MeV electron and positron beams from neutral U and Th atoms, and the study of pairs emitted following the resonant absorption of photons of 1.5 to 2.0 MeV on U and Th atoms. We first present a brief data-oriented history of the Sharp Lepton Problem, to show that no single unexpected null result can provide an adequate basis for rejecting the great range and quantity of data which evidences the occurrence of sharp pairs. We then consider the Quadronium Composite Particle Scenario for these processes, and its Quantum Electrodynamical implications, in support of the above recommendations

Resolving amorphous solid-liquid interfaces by atomic force microscopy

International Nuclear Information System (INIS)

Burson, Kristen M.; Gura, Leonard; Kell, Burkhard; Büchner, Christin; Lewandowski, Adrian L.; Heyde, Markus; Freund, Hans-Joachim

2016-01-01

Recent advancements in liquid atomic force microscopy make it an ideal technique for probing the structure of solid-liquid interfaces. Here, we present a structural study of a two-dimensional amorphous silica bilayer immersed in an aqueous solution utilizing liquid atomic force microscopy with sub-nanometer resolution. Structures show good agreement with atomically resolved ultra-high vacuum scanning tunneling microscopy images obtained on the same sample system, owing to the structural stability of the silica bilayer and the imaging clarity from the two-dimensional sample system. Pair distance histograms of ring center positions are utilized to develop quantitative metrics for structural comparison, and the physical origin of pair distance histogram peaks is addressed by direct assessment of real space structures.

A Sharp-Interface Immersed Boundary Method with Improved Mass Conservation and Reduced Spurious Pressure Oscillations.

Science.gov (United States)

Seo, Jung Hee; Mittal, Rajat

2011-08-10

A method for reducing the spurious pressure oscillations observed when simulating moving boundary flow problems with sharp-interface immersed boundary methods (IBMs) is proposed. By first identifying the primary cause of these oscillations to be the violation of the geometric conservation law near the immersed boundary, we adopt a cut-cell based approach to strictly enforce geometric conservation. In order to limit the complexity associated with the cut-cell method, the cut-cell based discretization is limited only to the pressure Poisson and velocity correction equations in the fractional-step method and the small-cell problem tackled by introducing a virtual cell-merging technique. The method is shown to retain all the desirable properties of the original finite-difference based IBM while at the same time, reducing pressure oscillations for moving boundaries by roughly an order of magnitude.

Unraveling atomic-level self-organization at the plasma-material interface

Science.gov (United States)

Allain, J. P.; Shetty, A.

2017-07-01

The intrinsic dynamic interactions at the plasma-material interface and critical role of irradiation-driven mechanisms at the atomic scale during exposure to energetic particles require a priori the use of in situ surface characterization techniques. Characterization of ‘active’ surfaces during modification at atomic-scale levels is becoming more important as advances in processing modalities are limited by an understanding of the behavior of these surfaces under realistic environmental conditions. Self-organization from exposure to non-equilibrium and thermalized plasmas enable dramatic control of surface morphology, topography, composition, chemistry and structure yielding the ability to tune material properties with an unprecedented level of control. Deciphering self-organization mechanisms of nanoscale morphology (e.g. nanodots, ripples) and composition on a variety of materials including: compound semiconductors, semiconductors, ceramics, polymers and polycrystalline metals via low-energy ion-beam assisted plasma irradiation are critical to manipulate functionality in nanostructured systems. By operating at ultra-low energies near the damage threshold, irradiation-driven defect engineering can be optimized and surface-driven mechanisms controlled. Tunability of optical, electronic, magnetic and bioactive properties is realized by reaching metastable phases controlled by atomic-scale irradiation-driven mechanisms elucidated by novel in situ diagnosis coupled to atomistic-level computational tools. Emphasis will be made on tailored surface modification from plasma-enhanced environments on particle-surface interactions and their subsequent modification of hard and soft matter interfaces. In this review, we examine current trends towards in situ and in operando surface and sub-surface characterization to unravel atomic-scale mechanisms at the plasma-material interface. This work will emphasize on recent advances in the field of plasma and ion

Interface Control of Ferroelectricity in an SrRuO3 /BaTiO3 /SrRuO3 Capacitor and its Critical Thickness.

Science.gov (United States)

Shin, Yeong Jae; Kim, Yoonkoo; Kang, Sung-Jin; Nahm, Ho-Hyun; Murugavel, Pattukkannu; Kim, Jeong Rae; Cho, Myung Rae; Wang, Lingfei; Yang, Sang Mo; Yoon, Jong-Gul; Chung, Jin-Seok; Kim, Miyoung; Zhou, Hua; Chang, Seo Hyoung; Noh, Tae Won

2017-05-01

The atomic-scale synthesis of artificial oxide heterostructures offers new opportunities to create novel states that do not occur in nature. The main challenge related to synthesizing these structures is obtaining atomically sharp interfaces with designed termination sequences. In this study, it is demonstrated that the oxygen pressure (PO2) during growth plays an important role in controlling the interfacial terminations of SrRuO 3 /BaTiO 3 /SrRuO 3 (SRO/BTO/SRO) ferroelectric (FE) capacitors. The SRO/BTO/SRO heterostructures are grown by a pulsed laser deposition method. The top SRO/BTO interface, grown at high PO2 (around 150 mTorr), usually exhibits a mixture of RuO 2 -BaO and SrO-TiO 2 terminations. By reducing PO2, the authors obtain atomically sharp SRO/BTO top interfaces with uniform SrO-TiO 2 termination. Using capacitor devices with symmetric and uniform interfacial termination, it is demonstrated for the first time that the FE critical thickness can reach the theoretical limit of 3.5 unit cells. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Enhancement of the Stability of Fluorine Atoms on Defective Graphene and at Graphene/Fluorographene Interface.

Science.gov (United States)

Ao, Zhimin; Jiang, Quanguo; Li, Shuang; Liu, Hao; Peeters, Francois M; Li, Sean; Wang, Guoxiu

2015-09-09

Fluorinated graphene is one of the most important derivatives of graphene and has been found to have great potential in optoelectronic and photonic nanodevices. However, the stability of F atoms on fluorinated graphene under different conditions, which is essential to maintain the desired properties of fluorinated graphene, is still unclear. In this work, we investigate the diffusion of F atoms on pristine graphene, graphene with defects, and at graphene/fluorographene interfaces by using density functional theory calculations. We find that an isolated F atom diffuses easily on graphene, but those F atoms can be localized by inducing vacancies or absorbates in graphene and by creating graphene/fluorographene interfaces, which would strengthen the binding energy of F atoms on graphene and increase the diffusion energy barrier of F atoms remarkably.

Observation of hidden atomic order at the interface between Fe and topological insulator Bi2Te3.

Science.gov (United States)

Sánchez-Barriga, Jaime; Ogorodnikov, Ilya I; Kuznetsov, Mikhail V; Volykhov, Andrey A; Matsui, Fumihiko; Callaert, Carolien; Hadermann, Joke; Verbitskiy, Nikolay I; Koch, Roland J; Varykhalov, Andrei; Rader, Oliver; Yashina, Lada V

2017-11-22

To realize spintronic devices based on topological insulators (TIs), well-defined interfaces between magnetic metals and TIs are required. Here, we characterize atomically precisely the interface between the 3d transition metal Fe and the TI Bi 2 Te 3 at different stages of its formation. Using photoelectron diffraction and holography, we show that after deposition of up to 3 monolayers Fe on Bi 2 Te 3 at room temperature, the Fe atoms are ordered at the interface despite the surface disorder revealed by our scanning-tunneling microscopy images. We find that Fe occupies two different sites: a hollow adatom deeply relaxed into the Bi 2 Te 3 quintuple layers and an interstitial atom between the third (Te) and fourth (Bi) atomic layers. For both sites, our core-level photoemission spectra and density-functional theory calculations demonstrate simultaneous chemical bonding of Fe to both Te and Bi atoms. We further show that upon deposition of Fe up to a thickness of 20 nm, the Fe atoms penetrate deeper into the bulk forming a 2-5 nm interface layer containing FeTe. In addition, excessive Bi is pushed down into the bulk of Bi 2 Te 3 leading to the formation of septuple layers of Bi 3 Te 4 within a distance of ∼25 nm from the interface. Controlling the magnetic properties of the complex interface structures revealed by our work will be of critical importance when optimizing the efficiency of spin injection in TI-based devices.

Modeling of the atomic and electronic structures of interfaces

International Nuclear Information System (INIS)

Sutton, A.P.

1988-01-01

Recent tight binding and Car-Parrinello simulations of grain boundaries in semiconductors are reviewed. A critique is given of some models of embrittlement that are based on electronic structure considerations. The structural unit model of grain boundary structure is critically assessed using some results for mixed tilt and twist grain boundaries. A new method of characterizing interfacial structure in terms of bond angle distribution functions is described. A new formulation of thermodynamic properties of interfaces is presented which focusses on the local atomic environment. Effective, temperature dependent N-body atomic interactions are derived for studying grain boundary structure at elevated temperature

pH in atomic scale simulations of electrochemical interfaces

DEFF Research Database (Denmark)

Rossmeisl, Jan; Chan, Karen; Ahmed, Rizwan

2013-01-01

Electrochemical reaction rates can strongly depend on pH, and there is increasing interest in electrocatalysis in alkaline solution. To date, no method has been devised to address pH in atomic scale simulations. We present a simple method to determine the atomic structure of the metal......|solution interface at a given pH and electrode potential. Using Pt(111)|water as an example, we show the effect of pH on the interfacial structure, and discuss its impact on reaction energies and barriers. This method paves the way for ab initio studies of pH effects on the structure and electrocatalytic activity...

Atomic and electronic structures of lattice mismatched Cu{sub 2}O/TiO{sub 2} interfaces

Energy Technology Data Exchange (ETDEWEB)

Wang, Shuzhi [Materials Sciences Division, Lawrence Berkeley National Laboratory, One Cyclotron Road, Mail Stop 66, Berkeley, California 94720 (United States); Kavaipatti, Balasubramaniam; Ramesh, Ramamoorthy [Department of Materials Science and Engineering, University of California at Berkeley, Berkeley, California 94720 (United States); Kim, Sung-Joo; Pan, Xiaoqing [Department of Materials Science and Engineering, University of Michigan, Ann Arbor, Michigan 48109 (United States); Ager, Joel W.; Wang, Lin-Wang, E-mail: lwwang@lbl.gov [Materials Sciences Division, Lawrence Berkeley National Laboratory, One Cyclotron Road, Mail Stop 66, Berkeley, California 94720 (United States); Joint Center of Artificial Photosynthesis, Berkeley, California 94720 (United States)

2014-05-26

Heterojunction interfaces between metal oxides are often highly lattice mismatched. The atomic and electronic structures of such interfaces, however, are not well understood. We have synthesized Cu{sub 2}O/TiO{sub 2} heterojunction thin films with 13% lattice mismatch and studied the interface via experimental methods and large-scale density function theory calculations of supercells containing ∼1300 atoms. We find that an interface of epitaxial quality is formed via a coincidence site lattice of 8 Cu{sub 2}O unit cells matching 9 TiO{sub 2} unit cells. Calculations reveal the existence of a dislocation core of the O sublattices at the interface and a random arrangement of one layer of interfacial Cu atoms. The interfacial electronic structure is found to be mostly determined by the interfacial Cu distribution, rather than by the O dislocation core. The conduction band minimum and valence band maximum states are spatially separated, and there is no strongly localized state near the core.

Magnetic dichroism in photoemission: a new element-specific magnetometer with atomic-layer resolution

International Nuclear Information System (INIS)

Starke, K.; Arenholz, E.; Kaindl, G.

1998-01-01

Full text: Magnetic coupling in layered metallic structures has become a key issue in thin-film magnetism since the observation of oscillatory exchange coupling across non-ferromagnetic spacer layers. Although this phenomenon was discovered in rare earths (RE) superlattices, mostly transition-metal systems have been studied and are now applied in data-storage industry. An understanding of the coupling mechanisms has been reached after a fabrication of high-quality interfaces became possible. It allowed, in particular, the experimental finding of induced ferromagnetic order in 'nonmagnetic' atomic layers near an interface, using element-specific probes such as magnetic circular dichroism in x-ray absorption. - In layered RE systems, by contrast, the well known intermiscibility has prevented a preparation of atomically sharp interfaces, and all RE superlattices studied so far showed interdiffusion zones of several atomic layers. In the present overview, we report the first fabrication of atomically flat heteromagnetic RE interfaces, their structural characterization and their magnetic analysis using magnetic dichroism in photoemission (MDPE). This new tool gives access to the magnetization of individual atomic layers near interfaces in favourite cases. Merits of MDPE as a magnetometer are demonstrated at the example of Eu/Gd(0001), where chemical shifts of core-level photoemission lines allow to spectroscopically separate up to four different atomic layers. The high surface sensitivity of MDPE, together with the well known dependence of the core-level binding energies on the coordination number of the photo emitting atom, opens the door to future site-specific studies of magnetism in sub-monolayer systems such as 'nanowires'

Surface-Wave Pulse Routing around Sharp Right Angles

Science.gov (United States)

Gao, Z.; Xu, H.; Gao, F.; Zhang, Y.; Luo, Y.; Zhang, B.

2018-04-01

Surface-plasmon polaritons (SPPs), or localized electromagnetic surface waves propagating on a metal-dielectric interface, are deemed promising information carriers for future subwavelength terahertz and optical photonic circuitry. However, surface waves fundamentally suffer from scattering loss when encountering sharp corners in routing and interconnection of photonic signals. Previous approaches enabling scattering-free surface-wave guidance around sharp corners are limited to either volumetric waveguide environments or extremely narrow bandwidth, being unable to guide a surface-wave pulse (SPP wave packet) on an on-chip platform. Here, in a surface-wave band-gap crystal implemented on a single metal surface, we demonstrate in time-domain routing a surface-wave pulse around multiple sharp right angles without perceptible scattering. Our work not only offers a solution to on-chip surface-wave pulse routing along an arbitrary path, but it also provides spatiotemporal information on the interplay between surface-wave pulses and sharp corners, both of which are desirable in developing high-performance large-scale integrated photonic circuits.

Domain patterns and hysteresis in phase-transforming solids: analysis and numerical simulations of a sharp interface dissipative model via phase-field approximation

Czech Academy of Sciences Publication Activity Database

DeSimone, A.; Kružík, Martin

2013-01-01

Roč. 8, č. 2 (2013), s. 481-499 ISSN 1556-1801 R&D Projects: GA ČR(CZ) GAP201/12/0671 Institutional support: RVO:67985556 Keywords : hysteresis * shape memory Subject RIV: BA - General Mathematics Impact factor: 0.952, year: 2013 http://library.utia.cas.cz/separaty/2013/MTR/kruzik-domain patterns and hysteresis in phase-transforming solids analysis and numerical simulations of a sharp interface dissipative model via phase-field approximation.pdf

Chemical states of piled-up phosphorus and arsenic atoms at the SiO2/Si interface

International Nuclear Information System (INIS)

Yoshimura, Yusuke; Ono, Kanta; Fujioka, Hiroshi; Hayakawa, Shinjiro; Sato, Yoshiyuki; Uematsu, Masashi; Baba, Yuji; Hirose, Kazuyuki; Oshima, Masaharu

1999-01-01

We have investigated the positions of the piled-up phosphorus atoms at the SiO 2 /Si interface using the extended X-ray absorption fine structure (EXAFS) and X-ray photoelectron spectroscopy (XPS). The EXAFS and XPS data can be well explained on the assumption that the piled-up arsenic atoms exist at the tetrahedral sites. On the contrary, phosphorus atoms exist not at the tetrahedral sites but at the denser sites. The depth profile measurements of XPS have revealed that the piled-up arsenic and phosphorus atoms exist within 20A from the interface. (author)

Quantifying effects of humans and climate on groundwater resources of Hawaii through sharp-interface modeling

Science.gov (United States)

Rotzoll, K.; Izuka, S. K.; Nishikawa, T.; Fienen, M. N.; El-Kadi, A. I.

2016-12-01

Some of the volcanic-rock aquifers of the islands of Hawaii are substantially developed, leading to concerns related to the effects of groundwater withdrawals on saltwater intrusion and stream base-flow reduction. A numerical modeling analysis using recent available information (e.g., recharge, withdrawals, hydrogeologic framework, and conceptual models of groundwater flow) advances current understanding of groundwater flow and provides insight into the effects of human activity and climate change on Hawaii's water resources. Three island-wide groundwater-flow models (Kauai, Oahu, and Maui) were constructed using MODFLOW 2005 coupled with the Seawater-Intrusion Package (SWI2), which simulates the transition between saltwater and freshwater in the aquifer as a sharp interface. This approach allowed coarse vertical discretization (maximum of two layers) without ignoring the freshwater-saltwater system at the regional scale. Model construction (FloPy3), parameter estimation (PEST), and analysis of results were streamlined using Python scripts. Model simulations included pre-development (1870) and recent (average of 2001-10) scenarios for each island. Additionally, scenarios for future withdrawals and climate change were simulated for Oahu. We present our streamlined approach and results showing estimated effects of human activity on the groundwater resource by quantifying decline in water levels, rise of the freshwater-saltwater interface, and reduction in stream base flow. Water-resource managers can use this information to evaluate consequences of groundwater development that can constrain future groundwater availability.

Interface characteristics in Co2MnSi/Ag/Co2MnSi trilayer

International Nuclear Information System (INIS)

Li, Yang; Chen, Hong; Wang, Guangzhao; Yuan, Hongkuan

2016-01-01

Highlights: • Inferface DO 3 disorder is most favorable in Co 2 MnSi/Ag/Co 2 MnSi trilayer. • Interface itself and inferface DO 3 disorder destroy the half-metallicity of interface layers. • Magnetoresistance is reduced by the interface itself and interface disorder. • Magnetotransport coefficient is largely reduced by the interface itself and interface disorder. - Abstract: Interface characteristics of Co 2 MnSi/Ag/Co 2 MnSi trilayer have been investigated by means of first-principles. The most likely interface is formed by connecting MnSi-termination to the bridge site between two Ag atoms. As annealed at high temperature, the formation of interface DO 3 disorder is most energetically favorable. The spin polarization is reduced by both the interface itself and interface disorder due to the interface state occurs in the minority-spin gap. As a result, the magneto-resistance ratio has a sharp drop based on the estimation of a simplified modeling.

The structure of the solid-liquid interface: atomic size effect

International Nuclear Information System (INIS)

Geysermans, P.; Pontikis, V.

2002-01-01

The atomic structure of the solid-liquid heterophase interface was investigated by using molecular dynamics. Two kinds of systems were studied; the first one was crystalline copper with (100) and (111) surface terminations in contact with liquid aluminium, while in the second one the interface was modelled by two systems in contact made of Lennard-Jones particles with different size (σ) and energy (ε) parameters. We found that at the interface the liquid was layered whatever the crystallographic orientation of the surface. The layering of the liquid is still preserved when the ratio of particles sites (χ=σ 1 /σ 2 ) changes while an epitaxial relationship is always found between the crystal and the first liquid layer. The average density of the latter is closely related to the χ value. (authors)

Atomically-resolved mapping of polarization and electric fields across ferroelectric-oxide interfaces by Z-contrast imaging

Science.gov (United States)

Borisevich, Albina; Chang, Hye Jung; Kalinin, Sergei; Morozovska, Anna; Chu, Ying-Hao; Yu, Pu; Ramesh, Ramamoorthy; Pennycook, Stephen

2011-03-01

Polarization, electric field, charge and potential across ferroelectric-oxide interfaces are obtained from direct atomic position mapping by aberration corrected scanning transmission electron microscopy combined with Ginsburg-Landau-Devonshire theory. We compare two antiparallel polarization orientations, which allows separation of the polarization and intrinsic interface charge contributions. Using the Born effective charges, the complete interface electrostatics is obtained in real space, providing an alternative method to holography. The results provide new microscopic insight into the thermodynamics of polarization distribution at the atomic level. Research is sponsored by the of Materials Sciences and Engineering Division, U.S. DOE.

On the modification of metal/ceramic interfaces by low energy ion/atom bombardment during film growth

International Nuclear Information System (INIS)

Rigsbee, J.M.; Scott, P.A.; Knipe, R.K.; Hock, V.F.

1986-01-01

Elemental Cu and Ti films have been deposited onto ceramic substrates with a plasma-aided physical vapor deposition (ion-plating) process. This paper discusses how the structure and chemistry of the metallic film and the metal/ceramic interface are modified by low energy ion and neutral atom bombardment. Emphasis is placed on determining how low energy ion/neutral atom bombardment affects the strength of the metal/ceramic interface. Analyses of the film, interface and substrate regions have employed scanning Auger microprobe, secondary ion mass spectroscopy, SEM/STEM-energy dispersive X-ray and TEM/STEM imaging and microdiffraction techniques. (Auth.)

Atomic-scale investigation of interface-facilitated deformation twinning in severely deformed Ag-Cu nanolamellar composites

International Nuclear Information System (INIS)

An, X. H.; Cao, Y.; Liao, X. Z.; Zhu, S. M.; Nie, J. F.; Kawasaki, M.; Ringer, S. P.; Langdon, T. G.; Zhu, Y. T.

2015-01-01

We report an atomic-scale investigation of interface-facilitated deformation twinning behaviour in Ag-Cu nanolamellar composites. Profuse twinning activities in Ag supply partial dislocations to directly transmit across the Ag-Cu lamellar interface that promotes deformation twinning in the neighbouring Cu lamellae although the interface is severely deformed. The trans-interface twin bands change the local structure at the interface. Our analysis suggests that the orientation relationship and interfacial structure between neighbouring Ag-Cu lamellae play a crucial role in such special interface-facilitated twinning behaviour

The influence of surface stress on dislocation emission from sharp and blunt cracks in f.c.c. metals

DEFF Research Database (Denmark)

Schiøtz, Jakob

2000-01-01

We use computer simulations to study the behaviour of atomically sharp and blunted cracks in various fee metals. The simulations use effective medium potentials which contain many-body interactions. We find that when using potentials representing platinum and gold a sharp crack is stable with res......We use computer simulations to study the behaviour of atomically sharp and blunted cracks in various fee metals. The simulations use effective medium potentials which contain many-body interactions. We find that when using potentials representing platinum and gold a sharp crack is stable...... with respect to the emission of a dislocation from the crack tip, whereas for all other metals studied the sharp crack is unstable. This result cannot be explained by existing criteria for the intrinsic ductile/brittle behaviour of crack tips, but is probably caused by surface stresses. When the crack...... is no longer atomically sharp dislocation emission becomes easier in all the studied metals. The effect is relatively strong; the critical stress intensity factor for emission to occur is reduced by up to 20%. This behaviour appears to be caused by the surface stress near the crack tip. The surface stress...

Atomic simulations for configurations and solid-liquid interface of Li-Fe and Li-Cu icosahedra

Energy Technology Data Exchange (ETDEWEB)

Yang, Jianyu, E-mail: hnieyjy@aliyun.com [Hunan Institute of Engineering (China); Hu, Wangyu [Hunan University, College of Materials Science and Engineering (China); Dai, Xiongying [Hunan Institute of Engineering, College of Science (China)

2017-04-15

The melting point of Li is lower than that of Fe (or Cu); thus, solid-liquid interfaces can be easily formed on Li-Fe and Li-Cu nanoalloys. In this work, the configurations and solid-liquid interfaces of Li-Fe and Li-Cu icosahedra are studied using Monte Carlo and molecular dynamics methods. The atomic interactions are described by the analytic embedded-atom method. The dependence of composition, temperature, and nanoparticle size on the configurations and thermal stabilities of nanoalloys is discussed. The behavior of the Li-Fe and Li-Cu nanoalloys in segregation, configuration, and thermal stability is investigated. A different behavior of surface segregation of Li atoms is observed for the two types of nanoalloys. The interface between the Li and Fe atoms is clear. Mixing of Li with Cu at larger nanoparticle sizes is found because of low heat of formation in the system. The configurations of the Li-Fe and Li-Cu nanoalloys are related to the competition between surface segregation and alloying. The thermal stability of Li in the two types of nanoalloys is enhanced by the support of the Fe (or Cu) solid substrate.

Observation of interface carrier states in no-common-atom heterostructures ZnSe/BeTe

Science.gov (United States)

Gurevich, A. S.; Kochereshko, V. P.; Bleuse, J.; Mariette, H.; Waag, A.; Akimoto, R.

2011-09-01

The existence of intrinsic carrier interface states in heterostructures with no common atom at the interface (such as ZnSe/BeTe) is shown experimentally by ellipsometry and photoluminescence spectroscopy. These states are located on interfaces and lie inside the effective bandgap of the structure; they are characterized by a high density and a long lifetime. A tight binding model confirms theoretically the existence of these states in ZnSe/BeTe heterostructures for a ZnTe-type interface, in contrast to the case of the BeSe-type interface for which they do not exist.

Observation of interface carrier states in no-common-atom heterostructures ZnSe/BeTe

Energy Technology Data Exchange (ETDEWEB)

Gurevich, A S; Kochereshko, V P [A F Ioffe Physical-Technical Institute, St Petersburg 194021 (Russian Federation); Bleuse, J; Mariette, H [CEA-CNRS Group ' Nanophysique et Semiconducteurs' , CEA, INAC/SP2M, and Institut Neel, 17 rue des Martyrs, F-38054 Grenoble (France); Waag, A [Braunschweig Technical University, Hans-Sommer-Strasse 66, D-38106 Braunschweig (Germany); Akimoto, R, E-mail: vladimir.kochereshko@mail.ioffe.ru [National Institute of Advanced Industrial Science and Technology (AIST), AIST Tsukuba Central 2-1, Tsukuba 305-8568 (Japan)

2011-09-07

The existence of intrinsic carrier interface states in heterostructures with no common atom at the interface (such as ZnSe/BeTe) is shown experimentally by ellipsometry and photoluminescence spectroscopy. These states are located on interfaces and lie inside the effective bandgap of the structure; they are characterized by a high density and a long lifetime. A tight binding model confirms theoretically the existence of these states in ZnSe/BeTe heterostructures for a ZnTe-type interface, in contrast to the case of the BeSe-type interface for which they do not exist.

A computational method for sharp interface advection

DEFF Research Database (Denmark)

Roenby, Johan; Bredmose, Henrik; Jasak, Hrvoje

2016-01-01

We devise a numerical method for passive advection of a surface, such as the interface between two incompressible fluids, across a computational mesh. The method is called isoAdvector, and is developed for general meshes consisting of arbitrary polyhedral cells. The algorithm is based on the volu...

Roughness of the SiC/SiO{sub 2} vicinal interface and atomic structure of the transition layers

Energy Technology Data Exchange (ETDEWEB)

Liu, Peizhi; Li, Guoliang; Duscher, Gerd, E-mail: gduscher@utk.edu [Department of Materials Science and Engineering, The University of Tennessee, Knoxville, Tennessee 37996 (United States); Sharma, Yogesh K.; Ahyi, Ayayi C.; Isaacs-Smith, Tamara; Williams, John R.; Dhar, Sarit [Department of Physics, Auburn University, Auburn, Alabama 36849 (United States)

2014-11-01

The SiC/SiO{sub 2} interface is generally considered to be the cause for the reduced electron mobility of SiC power devices. Previous studies have shown a correlation between the mobility and the transition layer width at the SiC/SiO{sub 2} interface. The authors investigated this interface with atomic resolution Z-contrast imaging and electron energy-loss spectroscopy, and discovered that this transition region was due to the roughness of the vicinal interface. The roughness of a vicinal interface consisted of atomic steps and facets deviating from the ideal off-axis cut plane. The authors conclude that this roughness is limiting the mobility in the channels of SiC MOSFETs.

Clarifying roughness and atomic diffusion contributions to the interface broadening in exchange-biased NiFe/FeMn/NiFe heterostructures

Energy Technology Data Exchange (ETDEWEB)

Nascimento, V.P., E-mail: valberpn@yahoo.com.br [Departamento de Física, Universidade Federal do Espírito Santo, 29075-910 Vitória (Brazil); Merino, I.L.C.; Passamani, E.C. [Departamento de Física, Universidade Federal do Espírito Santo, 29075-910 Vitória (Brazil); Alayo, W. [Departamento de Física, Universidade de Pelotas, 96010-610 Pelotas (Brazil); Tafur, M. [Instituto de Ciências Exatas, Universidade Federal de Itajubá, 37500-903 Itajubá (Brazil); Pelegrini, F. [Instituto de Física, Universidade Federal de Goiás, 74001-970 Goiânia (Brazil); Magalhães-Paniago, R. [Universidade Federal de Minas Gerais, Belo Horizonte (Brazil); Alvarenga, A.D. [Instituto Nacional de Metrologia, 25250-020 Xerém (Brazil); Saitovitch, E.B. [Coordenação de Física Experimental e Baixas Energias, Centro Brasileiro de Pesquisas Físicas, 22290-180 Rio de Janeiro (Brazil)

2013-09-02

NiFe(30 nm)/FeMn(13 nm)/NiFe(10 nm) heterostructures prepared by magnetron sputtering at different argon working pressures (0.27, 0.67 and 1.33 Pa) were systematically investigated by using specular and off-specular diffuse X-ray scattering experiments, combined with ferromagnetic resonance technique, in order to distinguish the contribution from roughness and atomic diffusion to the total structural disorder at NiFe/FeMn interfaces. It was shown that an increase in the working gas pressure from 0.27 to 1.33 Pa causes an enhancement of the atomic diffusion at the NiFe/FeMn interfaces, an effect more pronounced at the top FeMn/NiFe interface. In particular, this atomic diffusion provokes a formation of non-uniform magnetic dead-layers at the NiFe/FeMn interfaces (NiFeMn regions with paramagnetic or weak antiferromagnetic properties); that are responsible for the substantial reduction of the exchange bias field in the NiFe/FeMn system. Thus, this work generically helps to understand the discrepancies found in the literature regarding the influence of the interface broadening on the exchange bias properties (e.g., exchange bias field) of the NiFe/FeMn system. - Highlights: • Roughness and atomic diffusion contributions to the interface broadening • Clarification of the exchange bias field dependence on the interface disorder • Ferromagnetic, paramagnetic and antiferromagnetic phases at the magnetic interface • Magnetic dead layers formed by increasing the argon work pressure • Atomic diffusion in heterostructures prepared at higher argon pressure.

Investigation of the atomic interface structure of mesotaxial Si/CoSi2(100) layers formed by high-dose implantation

International Nuclear Information System (INIS)

Bulle-Lieuwma, C.W.T.; Jong, A.F. de; Vandenhoudt, D.E.W.

1991-01-01

Aligned mesotaxial films of CoSi 2 in monocrystalline (100) oriented Si substrates have been formed by high-dose ion implantation of Co, followed by a high temperature treatment. The atomic structures of both the lower and upper Si/CoSi 2 (100) interfaces of the buried CoSi 2 layer have been investigated by high-resolution electron microscopy (HREM) combined with image simulations. A domain-like structure is observed consisting of areas with different interfaces. In order to derive the atomic configuration, image simulations of different proposed models are presented. By comparing simulated images and HREM images, two different atomic structure models for the Si/CoSi 2 (100) interface have been found. In the first model the interfacial Co atoms are six-fold coordinated and the tetrahedral coordination and bond lengths of silicon atoms are everywhere maintained. In the second model we found evidence for a 2 x 1 interface reconstruction, involving a difference in composition. The interfacial Co atoms are seven-fold coordinated. It is shown that the boundaries between the domains are associated with interfacial dislocations of edge-type with Burgers vectors b a/4 inclined and b = a/2 parallel to the interfacial plane. (author)

Interface engineering for oxide electronics: tuning electronic properties by atomically controlled growth

NARCIS (Netherlands)

Huijben, Mark

2006-01-01

The main aim of this thesis is to develop a controlled growth with atomic precision for the realization of artificial perovskite structures, to exploit the exceptional physical properties of complex oxide materials such as high-temperature superconductors and conducting interfaces between band

Python GUI Scripting Interface for Running Atomic Physics Applications

OpenAIRE

Tahat, Amani; Tahat, Mofleh

2011-01-01

We create a Python GUI scripting interface working under Windows in addition to (UNIX/Linux). The GUI has been built around the Python open-source programming language. We use the Python's GUI library that so called Python Mega Widgets (PMW) and based on Tkinter Python module (http://www.freenetpages.co.uk/hp/alan.gauld/tutgui.htm). The new GUI was motivated primarily by the desire of more updated operations, more flexibility incorporating future and current improvements in producing atomic d...

Edge Sharpness Assessment by Parametric Modeling: Application to Magnetic Resonance Imaging.

Science.gov (United States)

Ahmad, R; Ding, Y; Simonetti, O P

2015-05-01

In biomedical imaging, edge sharpness is an important yet often overlooked image quality metric. In this work, a semi-automatic method to quantify edge sharpness in the presence of significant noise is presented with application to magnetic resonance imaging (MRI). The method is based on parametric modeling of image edges. First, an edge map is automatically generated and one or more edges-of-interest (EOI) are manually selected using graphical user interface. Multiple exclusion criteria are then enforced to eliminate edge pixels that are potentially not suitable for sharpness assessment. Second, at each pixel of the EOI, an image intensity profile is read along a small line segment that runs locally normal to the EOI. Third, the profiles corresponding to all EOI pixels are individually fitted with a sigmoid function characterized by four parameters, including one that represents edge sharpness. Last, the distribution of the sharpness parameter is used to quantify edge sharpness. For validation, the method is applied to simulated data as well as MRI data from both phantom imaging and cine imaging experiments. This method allows for fast, quantitative evaluation of edge sharpness even in images with poor signal-to-noise ratio. Although the utility of this method is demonstrated for MRI, it can be adapted for other medical imaging applications.

Atomic structures and compositions of internal interfaces. Progress report, September 1, 1991--August 31, 1992

Energy Technology Data Exchange (ETDEWEB)

Seidman, D.N. [Northwestern Univ., Evanston, IL (United States). Dept. of Materials Science and Engineering; Merkle, K.L. [Argonne National Lab., IL (United States)

1992-03-01

This research program addresses fundamental questions concerning the relationships between atomic structures and chemical compositions of metal/ceramic heterophase interfaces. The chemical composition profile across a Cu/MgO {l_brace}111{r_brace}-type heterophase interface, produced by the internal oxidation of a Cu(Mg) single phase alloy, is measured via atom-probe field-ion microscopy with a spatial resolution of 0.121 nm; this resolution is equal to the interplanar space of the {l_brace}222{r_brace} MgO planes. In particular, we demonstrate for the first time that the bonding across a Cu/MgO {l_brace}111{r_brace}-type heterophase interface, along a <111> direction common to both the Cu matrix and an MgO precipitate, has the sequence Cu{vert_bar}O{vert_bar}Mg{hor_ellipsis} and not Cu{vert_bar}Mg{vert_bar}O{hor_ellipsis}; this result is achieved without any deconvolution of the experimental data. Before determining this chemical sequence it was established, via high resolution electron microscopy, that the morphology of an MgO precipitate in a Cu matrix is an octahedron faceted on {l_brace}111{r_brace} planes with a cube-on-cube relationship between a precipitate and the matrix. First results are also presented for the Ni/Cr{sub 2}O{sub 4} interface; for this system selected area atom probe microscopy was used to analyze this interface; Cr{sub 2}O{sub 4} precipitates are located in a field-ion microscope tip and a precipitate is brought into the tip region via a highly controlled electropolishing technique.

Observation of hidden atomic order at the interface between Fe and topological insulator Bi_{2}Te_{3}

OpenAIRE

Sanchez-Barriga, Jaime; Ogorodnikov, Ilya I.; Kuznetsov, Mikhail V.; Volykhov, Andrey A.; Matsui, Fumihiko; Callaert, Carolien; Hadermann, Joke; Verbitskiy, Nikolay I.; Koch, Roland J.; Varykhalov, Andrei; Rader, Oliver; Yashina, Lada V.

2017-01-01

Abstract: To realize spintronic devices based on topological insulators (TIs), well-defined interfaces between magnetic metals and TIs are required. Here, we characterize atomically precisely the interface between the 3d transition metal Fe and the TI Bi2Te3 at different stages of its formation. Using photoelectron diffraction and holography, we show that after deposition of up to 3 monolayers Fe on Bi2Te3 at room temperature, the Fe atoms are ordered at the interface despite the surface diso...

Structure, interface abruptness and strain relaxation in self-assisted grown InAs/GaAs nanowires

Energy Technology Data Exchange (ETDEWEB)

Frigeri, Cesare, E-mail: frigeri@imem.cnr.it [CNR-IMEM Institute, Parma (Italy); Scarpellini, David [L–NESS and Dept. Materials Science, University of Milano Bicocca, Milano (Italy); Department of Industrial Engineering University of Rome Tor Vergata, Rome (Italy); Fedorov, Alexey [LNESS and CNR-IFN, Como (Italy); Bietti, Sergio; Somaschini, Claudio [L–NESS and Dept. Materials Science, University of Milano Bicocca, Milano (Italy); Grillo, Vincenzo [CNR-IMEM Institute, Parma (Italy); CNR-S3-NANO Center, Modena (Italy); Esposito, Luca; Salvalaglio, Marco; Marzegalli, Anna; Montalenti, Francesco [L–NESS and Dept. Materials Science, University of Milano Bicocca, Milano (Italy); Sanguinetti, Stefano [L–NESS and Dept. Materials Science, University of Milano Bicocca, Milano (Italy); LNESS and CNR-IFN, Como (Italy)

2017-02-15

Highlights: • We study 2 critical issues (interface abruptness and strain release) in InAs/GaAs NWs. • Structural and chemical interface sharpness ≤1.5 nm, better than in previous reports. • Simultaneous elastic and plastic relaxation is shown that agrees with FEM simulations. • Structural, chemical and strain release investigations were performed by STEM. • New MBE self-seeded method whereby InAs is grown by splitting In and As depositions. - Abstract: The structure, interface abruptness and strain relaxation in InAs/GaAs nanowires grown by molecular beam epitaxy in the Ga self-catalysed mode on (111) Si have been investigated by transmission electron microscopy. The nanowires had the zincblende phase. The InAs/GaAs interface was atomically and chemically sharp with a width around 1.5 nm, i.e. significantly smaller than previously reported values. This was achieved by the consumption of the Ga droplet and formation of a flat top facet of the GaAs followed by the growth of InAs by splitting the depositions of In and As. Both elastic and plastic strain relaxation took place simultaneously. Experimental TEM results about strain relaxation very well agree with linear elasticity theory calculations by the finite element methods.

Structure, interface abruptness and strain relaxation in self-assisted grown InAs/GaAs nanowires

International Nuclear Information System (INIS)

Frigeri, Cesare; Scarpellini, David; Fedorov, Alexey; Bietti, Sergio; Somaschini, Claudio; Grillo, Vincenzo; Esposito, Luca; Salvalaglio, Marco; Marzegalli, Anna; Montalenti, Francesco; Sanguinetti, Stefano

2017-01-01

Highlights: • We study 2 critical issues (interface abruptness and strain release) in InAs/GaAs NWs. • Structural and chemical interface sharpness ≤1.5 nm, better than in previous reports. • Simultaneous elastic and plastic relaxation is shown that agrees with FEM simulations. • Structural, chemical and strain release investigations were performed by STEM. • New MBE self-seeded method whereby InAs is grown by splitting In and As depositions. - Abstract: The structure, interface abruptness and strain relaxation in InAs/GaAs nanowires grown by molecular beam epitaxy in the Ga self-catalysed mode on (111) Si have been investigated by transmission electron microscopy. The nanowires had the zincblende phase. The InAs/GaAs interface was atomically and chemically sharp with a width around 1.5 nm, i.e. significantly smaller than previously reported values. This was achieved by the consumption of the Ga droplet and formation of a flat top facet of the GaAs followed by the growth of InAs by splitting the depositions of In and As. Both elastic and plastic strain relaxation took place simultaneously. Experimental TEM results about strain relaxation very well agree with linear elasticity theory calculations by the finite element methods.

Dye-sensitized solar cells: Atomic scale investigation of interface structure and dynamics

International Nuclear Information System (INIS)

Ma Wei; Zhang Fan; Meng Sheng

2014-01-01

Recent progress in dye-sensitized solar cells (DSC) research is reviewed, focusing on atomic-scale investigations of the interface electronic structures and dynamical processes, including the structure of dye adsorption onto TiO 2 , ultrafast electron injection, hot-electron injection, multiple-exciton generation, and electron—hole recombination. Advanced experimental techniques and theoretical approaches are briefly summarized, and then progressive achievements in photovoltaic device optimization based on insights from atomic scale investigations are introduced. Finally, some challenges and opportunities for further improvement of dye solar cells are presented. (invited review — international conference on nanoscience and technology, china 2013)

Dielectric discontinuity at interfaces in the atomic-scale limit: permittivity of ultrathin oxide films on silicon.

Science.gov (United States)

Giustino, Feliciano; Umari, Paolo; Pasquarello, Alfredo

2003-12-31

Using a density-functional approach, we study the dielectric permittivity across interfaces at the atomic scale. Focusing on the static and high-frequency permittivities of SiO2 films on silicon, for oxide thicknesses from 12 A down to the atomic scale, we find a departure from bulk values in accord with experiment. A classical three-layer model accounts for the calculated permittivities and is supported by the microscopic polarization profile across the interface. The local screening varies on length scales corresponding to first-neighbor distances, indicating that the dielectric transition is governed by the chemical grading. Silicon-induced gap states are shown to play a minor role.

Low-temperature atomic layer deposition of MgO thin films on Si

International Nuclear Information System (INIS)

Vangelista, S; Mantovan, R; Lamperti, A; Tallarida, G; Kutrzeba-Kotowska, B; Spiga, S; Fanciulli, M

2013-01-01

Magnesium oxide (MgO) films have been grown by atomic layer deposition in the wide deposition temperature window of 80–350 °C by using bis(cyclopentadienyl)magnesium and H 2 O precursors. MgO thin films are deposited on both HF-last Si(1 0 0) and SiO 2 /Si substrates at a constant growth rate of ∼0.12 nm cycle −1 . The structural, morphological and chemical properties of the synthesized MgO thin films are investigated by x-ray reflectivity, grazing incidence x-ray diffraction, time-of-flight secondary ion mass spectrometry and atomic force microscopy measurements. MgO layers are characterized by sharp interface with the substrate and limited surface roughness, besides good chemical uniformity and polycrystalline structure for thickness above 7 nm. C–V measurements performed on Al/MgO/Si MOS capacitors, with MgO in the 4.6–11 nm thickness range, allow determining a dielectric constant (κ) ∼ 11. Co layers are grown by chemical vapour deposition in direct contact with MgO without vacuum-break (base pressure 10 −5 –10 −6  Pa). The as-grown Co/MgO stacks show sharp interfaces and no elements interdiffusion among layers. C–V and I–V measurements have been conducted on Co/MgO/Si MOS capacitors. The dielectric properties of MgO are not influenced by the further process of Co deposition. (paper)

SHARP User Manual

Energy Technology Data Exchange (ETDEWEB)

Yu, Y. Q. [Argonne National Lab. (ANL), Argonne, IL (United States); Shemon, E. R. [Argonne National Lab. (ANL), Argonne, IL (United States); Thomas, J. W. [Argonne National Lab. (ANL), Argonne, IL (United States); Mahadevan, Vijay S. [Argonne National Lab. (ANL), Argonne, IL (United States); Rahaman, Ronald O. [Argonne National Lab. (ANL), Argonne, IL (United States); Solberg, Jerome [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

2016-03-31

SHARP is an advanced modeling and simulation toolkit for the analysis of nuclear reactors. It is comprised of several components including physical modeling tools, tools to integrate the physics codes for multi-physics analyses, and a set of tools to couple the codes within the MOAB framework. Physics modules currently include the neutronics code PROTEUS, the thermal-hydraulics code Nek5000, and the structural mechanics code Diablo. This manual focuses on performing multi-physics calculations with the SHARP ToolKit. Manuals for the three individual physics modules are available with the SHARP distribution to help the user to either carry out the primary multi-physics calculation with basic knowledge or perform further advanced development with in-depth knowledge of these codes. This manual provides step-by-step instructions on employing SHARP, including how to download and install the code, how to build the drivers for a test case, how to perform a calculation and how to visualize the results. Since SHARP has some specific library and environment dependencies, it is highly recommended that the user read this manual prior to installing SHARP. Verification tests cases are included to check proper installation of each module. It is suggested that the new user should first follow the step-by-step instructions provided for a test problem in this manual to understand the basic procedure of using SHARP before using SHARP for his/her own analysis. Both reference output and scripts are provided along with the test cases in order to verify correct installation and execution of the SHARP package. At the end of this manual, detailed instructions are provided on how to create a new test case so that user can perform novel multi-physics calculations with SHARP. Frequently asked questions are listed at the end of this manual to help the user to troubleshoot issues.

SHARP User Manual

International Nuclear Information System (INIS)

Yu, Y. Q.; Shemon, E. R.; Thomas, J. W.; Mahadevan, Vijay S.; Rahaman, Ronald O.; Solberg, Jerome

2016-01-01

SHARP is an advanced modeling and simulation toolkit for the analysis of nuclear reactors. It is comprised of several components including physical modeling tools, tools to integrate the physics codes for multi-physics analyses, and a set of tools to couple the codes within the MOAB framework. Physics modules currently include the neutronics code PROTEUS, the thermal-hydraulics code Nek5000, and the structural mechanics code Diablo. This manual focuses on performing multi-physics calculations with the SHARP ToolKit. Manuals for the three individual physics modules are available with the SHARP distribution to help the user to either carry out the primary multi-physics calculation with basic knowledge or perform further advanced development with in-depth knowledge of these codes. This manual provides step-by-step instructions on employing SHARP, including how to download and install the code, how to build the drivers for a test case, how to perform a calculation and how to visualize the results. Since SHARP has some specific library and environment dependencies, it is highly recommended that the user read this manual prior to installing SHARP. Verification tests cases are included to check proper installation of each module. It is suggested that the new user should first follow the step-by-step instructions provided for a test problem in this manual to understand the basic procedure of using SHARP before using SHARP for his/her own analysis. Both reference output and scripts are provided along with the test cases in order to verify correct installation and execution of the SHARP package. At the end of this manual, detailed instructions are provided on how to create a new test case so that user can perform novel multi-physics calculations with SHARP. Frequently asked questions are listed at the end of this manual to help the user to troubleshoot issues.

Sharpening Sharpe Ratios

OpenAIRE

William N. Goetzmann; Jonathan E. Ingersoll Jr.; Matthew I. Spiegel; Ivo Welch

2002-01-01

It is now well known that the Sharpe ratio and other related reward-to-risk measures may be manipulated with option-like strategies. In this paper we derive the general conditions for achieving the maximum expected Sharpe ratio. We derive static rules for achieving the maximum Sharpe ratio with two or more options, as well as a continuum of derivative contracts. The optimal strategy has a truncated right tail and a fat left tail. We also derive dynamic rules for increasing the Sharpe ratio. O...

Finite Bias Calculations to Model Interface Dipoles in Electrochemical Cells at the Atomic Scale

DEFF Research Database (Denmark)

Hansen, Martin Hangaard; Jin, Chengjun; Thygesen, Kristian Sommer

2016-01-01

The structure of an electrochemical interface is not determined by any external electrostatic field, but rather by external chemical potentials. This paper demonstrates that the electric double layer should be understood fundamentally as an internal electric field set up by the atomic structure...

Constructing oxide interfaces and heterostructures by atomic layer-by-layer laser molecular beam epitaxy

OpenAIRE

Lei, Qingyu; Golalikhani, Maryam; Davidson, Bruce A.; Liu, Guozhen; Schlom, D. G.; Qiao, Qiao; Zhu, Yimei; Chandrasena, Ravini U.; Yang, Weibing; Gray, Alexander X.; Arenholz, Elke; Farrar, Andrew K.; Tenne, Dmitri A.; Hu, Minhui; Guo, Jiandong

2016-01-01

Advancements in nanoscale engineering of oxide interfaces and heterostructures have led to discoveries of emergent phenomena and new artificial materials. Combining the strengths of reactive molecular-beam epitaxy and pulsed-laser deposition, we show here, with examples of Sr1+xTi1-xO3+delta, Ruddlesden-Popper phase Lan+1NinO3n+1 (n = 4), and LaAl1+yO3(1+0.5y)/SrTiO3 interfaces, that atomic layer-by-layer laser molecular-beam epitaxy (ALL-Laser MBE) significantly advances the state of the art...

Unstructured Cartesian refinement with sharp interface immersed boundary method for 3D unsteady incompressible flows

Science.gov (United States)

Angelidis, Dionysios; Chawdhary, Saurabh; Sotiropoulos, Fotis

2016-11-01

A novel numerical method is developed for solving the 3D, unsteady, incompressible Navier-Stokes equations on locally refined fully unstructured Cartesian grids in domains with arbitrarily complex immersed boundaries. Owing to the utilization of the fractional step method on an unstructured Cartesian hybrid staggered/non-staggered grid layout, flux mismatch and pressure discontinuity issues are avoided and the divergence free constraint is inherently satisfied to machine zero. Auxiliary/hanging nodes are used to facilitate the discretization of the governing equations. The second-order accuracy of the solver is ensured by using multi-dimension Lagrange interpolation operators and appropriate differencing schemes at the interface of regions with different levels of refinement. The sharp interface immersed boundary method is augmented with local near-boundary refinement to handle arbitrarily complex boundaries. The discrete momentum equation is solved with the matrix free Newton-Krylov method and the Krylov-subspace method is employed to solve the Poisson equation. The second-order accuracy of the proposed method on unstructured Cartesian grids is demonstrated by solving the Poisson equation with a known analytical solution. A number of three-dimensional laminar flow simulations of increasing complexity illustrate the ability of the method to handle flows across a range of Reynolds numbers and flow regimes. Laminar steady and unsteady flows past a sphere and the oblique vortex shedding from a circular cylinder mounted between two end walls demonstrate the accuracy, the efficiency and the smooth transition of scales and coherent structures across refinement levels. Large-eddy simulation (LES) past a miniature wind turbine rotor, parameterized using the actuator line approach, indicates the ability of the fully unstructured solver to simulate complex turbulent flows. Finally, a geometry resolving LES of turbulent flow past a complete hydrokinetic turbine illustrates

Software design of SHARP

International Nuclear Information System (INIS)

Siegel, A.; Tautges, T.; Caceres, A.; Kaushik, D.; Fischer, P.; Palmiotti, G.; Smith, M.; Ragusa, J.

2007-01-01

SHARP (Simulation-based High-efficiency Advanced Reactor Prototyping) is a modern suite of codes to simulate the key components of a fast reactor core. The SHARP tool-kit is organized as a collection of modules, each representing the key components of the physics to be modeled - neutron transport, thermal hydraulics, fuel/structure behavior - together with pre and post-processing for geometry definition, mesh generation, visualization, user interface, etc. The physics models are designed to make minimal possible use of lumped parameter models, homogenization, and empirical correlations in favor of more direct solution of the fundamental governing equations, when sufficient computing resources are available. Thus, one of the key design goals is to effectively leverage leadership class computing resources - viz. BG/P and Cray Supercomputers that are on the current trajectory to delivering sustained peta-flops performance. Further, the nature of the physical problem to be investigated will require either strong or weak coupling between some or all of the existing modules (e.g. operator split vs. fully coupled), while multiple implementations of each physics module, representing different algorithms, will also be required (e.g. deterministic versus Monte Carlo) for verification and to explore different physical regimes. Accomplishing these goals in the context of ultra-scalable architectures and multidisciplinary and possibly distributed development teams is a daunting task. In this paper we explain our initial lightweight and loosely coupled framework, its initial design, and a number of current open research questions in this area. (authors)

SHARP Multiphysics Tutorials

Energy Technology Data Exchange (ETDEWEB)

Yu, Y. Q. [Argonne National Lab. (ANL), Argonne, IL (United States); Shemon, E. R. [Argonne National Lab. (ANL), Argonne, IL (United States); Mahadevan, Vijay S. [Argonne National Lab. (ANL), Argonne, IL (United States); Rahaman, Ronald O. [Argonne National Lab. (ANL), Argonne, IL (United States)

2016-02-29

SHARP, developed under the NEAMS Reactor Product Line, is an advanced modeling and simulation toolkit for the analysis of advanced nuclear reactors. SHARP is comprised of three physics modules currently including neutronics, thermal hydraulics, and structural mechanics. SHARP empowers designers to produce accurate results for modeling physical phenomena that have been identified as important for nuclear reactor analysis. SHARP can use existing physics codes and take advantage of existing infrastructure capabilities in the MOAB framework and the coupling driver/solver library, the Coupled Physics Environment (CouPE), which utilizes the widely used, scalable PETSc library. This report aims at identifying the coupled-physics simulation capability of SHARP by introducing the demonstration example called sahex in advance of the SHARP release expected by Mar 2016. sahex consists of 6 fuel pins with cladding, 1 control rod, sodium coolant and an outer duct wall that encloses all the other components. This example is carefully chosen to demonstrate the proof of concept for solving more complex demonstration examples such as EBR II assembly and ABTR full core. The workflow of preparing the input files, running the case and analyzing the results is demonstrated in this report. Moreover, an extension of the sahex model called sahex_core, which adds six homogenized neighboring assemblies to the full heterogeneous sahex model, is presented to test homogenization capabilities in both Nek5000 and PROTEUS. Some primary information on the configuration and build aspects for the SHARP toolkit, which includes capability to auto-download dependencies and configure/install with optimal flags in an architecture-aware fashion, is also covered by this report. A step-by-step instruction is provided to help users to create their cases. Details on these processes will be provided in the SHARP user manual that will accompany the first release.

SHARP Multiphysics Tutorials

International Nuclear Information System (INIS)

Yu, Y. Q.; Shemon, E. R.; Mahadevan, Vijay S.; Rahaman, Ronald O.

2016-01-01

SHARP, developed under the NEAMS Reactor Product Line, is an advanced modeling and simulation toolkit for the analysis of advanced nuclear reactors. SHARP is comprised of three physics modules currently including neutronics, thermal hydraulics, and structural mechanics. SHARP empowers designers to produce accurate results for modeling physical phenomena that have been identified as important for nuclear reactor analysis. SHARP can use existing physics codes and take advantage of existing infrastructure capabilities in the MOAB framework and the coupling driver/solver library, the Coupled Physics Environment (CouPE), which utilizes the widely used, scalable PETSc library. This report aims at identifying the coupled-physics simulation capability of SHARP by introducing the demonstration example called sahex in advance of the SHARP release expected by Mar 2016. sahex consists of 6 fuel pins with cladding, 1 control rod, sodium coolant and an outer duct wall that encloses all the other components. This example is carefully chosen to demonstrate the proof of concept for solving more complex demonstration examples such as EBR II assembly and ABTR full core. The workflow of preparing the input files, running the case and analyzing the results is demonstrated in this report. Moreover, an extension of the sahex model called sahex c ore, which adds six homogenized neighboring assemblies to the full heterogeneous sahex model, is presented to test homogenization capabilities in both Nek5000 and PROTEUS. Some primary information on the configuration and build aspects for the SHARP toolkit, which includes capability to auto-download dependencies and configure/install with optimal flags in an architecture-aware fashion, is also covered by this report. A step-by-step instruction is provided to help users to create their cases. Details on these processes will be provided in the SHARP user manual that will accompany the first release.

Toward the Atomic-Level Mass Analysis of Biomolecules by the Scanning Atom Probe.

Science.gov (United States)

Nishikawa, Osamu; Taniguchi, Masahiro

2017-04-01

In 1994, a new type of atom probe instrument, named the scanning atom probe (SAP), was proposed. The unique feature of the SAP is the introduction of a small extraction electrode, which scans over a specimen surface and confines the high field, required for field evaporation of surface atoms in a small space, between the specimen and the electrode. Thus, the SAP does not require a sharp specimen tip. This indicates that the SAP can mass analyze the specimens which are difficult to form in a sharp tip, such as organic materials and biomolecules. Clean single wall carbon nanotubes (CNT), made by high-pressure carbon monoxide process are found to be the best substrates for biomolecules. Various amino acids and dipeptide biomolecules were successfully mass analyzed, revealing characteristic clusters formed by strongly bound atoms in the specimens. The mass analysis indicates that SAP analysis of biomolecules is not only qualitative, but also quantitative.

Reducing interface recombination for Cu(In,Ga)Se{sub 2} by atomic layer deposited buffer layers

Energy Technology Data Exchange (ETDEWEB)

Hultqvist, Adam; Bent, Stacey F. [Department of Chemical Engineering, Stanford University, Stanford, California 94305 (United States); Li, Jian V.; Kuciauskas, Darius; Dippo, Patricia; Contreras, Miguel A.; Levi, Dean H. [National Renewable Energy Laboratory, Golden, Colorado 80401 (United States)

2015-07-20

Partial CuInGaSe{sub 2} (CIGS) solar cell stacks with different atomic layer deposited buffer layers and pretreatments were analyzed by photoluminescence (PL) and capacitance voltage (CV) measurements to investigate the buffer layer/CIGS interface. Atomic layer deposited ZnS, ZnO, and SnO{sub x} buffer layers were compared with chemical bath deposited CdS buffer layers. Band bending, charge density, and interface state density were extracted from the CV measurement using an analysis technique new to CIGS. The surface recombination velocity calculated from the density of interface traps for a ZnS/CIGS stack shows a remarkably low value of 810 cm/s, approaching the range of single crystalline II–VI systems. Both the PL spectra and its lifetime depend on the buffer layer; thus, these measurements are not only sensitive to the absorber but also to the absorber/buffer layer system. Pretreatment of the CIGS prior to the buffer layer deposition plays a significant role on the electrical properties for the same buffer layer/CIGS stack, further illuminating the importance of good interface formation. Finally, ZnS is found to be the best performing buffer layer in this study, especially if the CIGS surface is pretreated with potassium cyanide.

Atomic force microscopy. A new method for atom identification and manipulation

International Nuclear Information System (INIS)

Abe, Masayuki; Sugimoto, Yoshiaki; Morita, Seizo

2007-01-01

Frequency modulation atomic force microscopy (FM-AFM) is a scanning probe technique that detects the interaction forces between the outermost atom of a sharp tip and the atoms at a surface to image the sample surface. It is expected that the FM-AFM can cover the research field which scanning tunneling microscopy does not provide. In this article, we would introduce FM-AFM experiments applied to site-specific force measurements and atom manipulation, including how to solve the problems to achieve precise FM-AFM measurements. (author)

The structure of the solid-liquid interface: atomic size effect; La structure de l'interface solide-liquide: effet de taille atomique

Energy Technology Data Exchange (ETDEWEB)

Geysermans, P.; Pontikis, V. [Centre National de la Recherche Scientifique (CNRS), 94 - Vitry-sur-Seine (France). Centre d' Etudes de Chimie Metallurgique

2002-09-01

The atomic structure of the solid-liquid heterophase interface was investigated by using molecular dynamics. Two kinds of systems were studied; the first one was crystalline copper with (100) and (111) surface terminations in contact with liquid aluminium, while in the second one the interface was modelled by two systems in contact made of Lennard-Jones particles with different size ({sigma}) and energy ({epsilon}) parameters. We found that at the interface the liquid was layered whatever the crystallographic orientation of the surface. The layering of the liquid is still preserved when the ratio of particles sites ({chi}={sigma}{sub 1}/{sigma}{sub 2}) changes while an epitaxial relationship is always found between the crystal and the first liquid layer. The average density of the latter is closely related to the {chi} value. (authors)

Air–water interface of submerged superhydrophobic surfaces imaged by atomic force microscopy

Directory of Open Access Journals (Sweden)

Markus Moosmann

2017-08-01

Full Text Available Underwater air retention of superhydrophobic hierarchically structured surfaces is of increasing interest for technical applications. Persistent air layers (the Salvinia effect are known from biological species, for example, the floating fern Salvinia or the backswimmer Notonecta. The use of this concept opens up new possibilities for biomimetic technical applications in the fields of drag reduction, antifouling, anticorrosion and under water sensing. Current knowledge regarding the shape of the air–water interface is insufficient, although it plays a crucial role with regards to stability in terms of diffusion and dynamic conditions. Optical methods for imaging the interface have been limited to the micrometer regime. In this work, we utilized a nondynamic and nondestructive atomic force microscopy (AFM method to image the interface of submerged superhydrophobic structures with nanometer resolution. Up to now, only the interfaces of nanobubbles (acting almost like solids have been characterized by AFM at these dimensions. In this study, we show for the first time that it is possible to image the air–water interface of submerged hierarchically structured (micro-pillars surfaces by AFM in contact mode. By scanning with zero resulting force applied, we were able to determine the shape of the interface and thereby the depth of the water penetrating into the underlying structures. This approach is complemented by a second method: the interface was scanned with different applied force loads and the height for zero force was determined by linear regression. These methods open new possibilities for the investigation of air-retaining surfaces, specifically in terms of measuring contact area and in comparing different coatings, and thus will lead to the development of new applications.

EPES information depth for an overlayer/substrate system with a diffuse interface

International Nuclear Information System (INIS)

Zommer, L.

2009-01-01

The information depth (ID) of elastic peak electron spectroscopy (EPES) was considered for an overlayer/substrate system with a diffuse interface. The interface was assumed to have an exponential concentration profile. The paradox previously found by Zommer and Jablonski for the Rh/Al and Al/Rh systems with sharp interfaces also occurs for these systems with diffuse interfaces. We compared IDs for diffuse and sharp interfaces. Deviations between the IDs depend on the interface width, overlayer thickness, and selected system for a given primary energy (here 2000 eV). The deviations for the Rh/Al and Al/Rh systems differ profoundly. These results are of importance when interpreting EPES measurements of layered system

Phonon interference control of atomic-scale metamirrors, meta-absorbers, and heat transfer through crystal interfaces

Science.gov (United States)

Kosevich, Yu. A.; Potyomina, L. G.; Darinskii, A. N.; Strelnikov, I. A.

2018-03-01

The paper theoretically studies the possibility of using the effects of phonon interference between paths through different interatomic bonds for the control of phonon heat transfer through internal crystal interfaces and for the design of phonon metamirrors and meta-absorbers. These metamirrors and meta-absorbers are considered to be defect nanolayers of atomic-scale thicknesses embedded in a crystal. Several analytically solvable three-dimensional lattice-dynamics models of the phonon metamirrors and meta-absorbers at the internal crystal planes are described. It is shown that due to destructive interference in the two or more phonon paths, the internal crystal planes, fully or partially filled with weakly bound or heavy-isotope defect atoms, can completely reflect or completely absorb phonons at the transmission antiresonances, whose wavelengths are larger than the effective thickness of the metamirror or meta-absorber. Due to cooperative superradiant effect, the spectral widths of the two-path interference antiresonances for the plane waves are given by the square of partial filling fraction in the defect crystal plane. Our analysis reveals that the presence of two or more phonon paths plays the dominant role in the emergence of the transmission antiresonances in phonon scattering at the defect crystal planes and in reduction of the thermal interface conductance in comparison with the Fano-resonance concept. We study analytically phonon transmission through internal crystal plane in a model cubic lattice of Si-like atoms, partially filled with Ge-like defect atoms. Such a plane can serve as interference phonon metamirror with the transmission antiresonances in the vicinities of eigenmode frequencies of Ge-like defect atoms in the terahertz frequency range. We predict the extraordinary phonon transmission induced by the two-path constructive interference of the lattice waves in resonance with the vibrations of rare host atoms, periodically distributed in the

A ghost fluid method for sharp interface simulations of compressible multiphase flows

International Nuclear Information System (INIS)

Majidi, Sahand; Afshari, Asghar

2016-01-01

A ghost fluid based computational tool is developed to study a wide range of compressible multiphase flows involving strong shocks and contact discontinuities while accounting for surface tension, viscous stresses and gravitational forces. The solver utilizes constrained reinitialization method to predict the interface configuration at each time step. Surface tension effect is handled via an exact interface Riemann problem solver. Interfacial viscous stresses are approximated by considering continuous velocity and viscous stress across the interface. To assess the performance of the solver several benchmark problems are considered: One-dimensional gas-water shock tube problem, shock-bubble interaction, air cavity collapse in water, underwater explosion, Rayleigh-Taylor Instability, and ellipsoidal drop oscillations. Results obtained from the numerical simulations indicate that the numerical methodology performs reasonably well in predicting flow features and exhibit a very good agreement with prior experimental and numerical observations. To further examine the accuracy of the developed ghost fluid solver, the obtained results are compared to those by a conventional diffuse interface solver. The comparison shows the capability of our ghost fluid method in reproducing the experimentally observed flow characteristics while revealing more details regarding topological changes of the interface.

A ghost fluid method for sharp interface simulations of compressible multiphase flows

Energy Technology Data Exchange (ETDEWEB)

Majidi, Sahand; Afshari, Asghar [University of Tehran, Teheran (Iran, Islamic Republic of)

2016-04-15

A ghost fluid based computational tool is developed to study a wide range of compressible multiphase flows involving strong shocks and contact discontinuities while accounting for surface tension, viscous stresses and gravitational forces. The solver utilizes constrained reinitialization method to predict the interface configuration at each time step. Surface tension effect is handled via an exact interface Riemann problem solver. Interfacial viscous stresses are approximated by considering continuous velocity and viscous stress across the interface. To assess the performance of the solver several benchmark problems are considered: One-dimensional gas-water shock tube problem, shock-bubble interaction, air cavity collapse in water, underwater explosion, Rayleigh-Taylor Instability, and ellipsoidal drop oscillations. Results obtained from the numerical simulations indicate that the numerical methodology performs reasonably well in predicting flow features and exhibit a very good agreement with prior experimental and numerical observations. To further examine the accuracy of the developed ghost fluid solver, the obtained results are compared to those by a conventional diffuse interface solver. The comparison shows the capability of our ghost fluid method in reproducing the experimentally observed flow characteristics while revealing more details regarding topological changes of the interface.

A highly efficient sharp-interface immersed boundary method with adaptive mesh refinement for bio-inspired flow simulations

Science.gov (United States)

Deng, Xiaolong; Dong, Haibo

2017-11-01

Developing a high-fidelity, high-efficiency numerical method for bio-inspired flow problems with flow-structure interaction is important for understanding related physics and developing many bio-inspired technologies. To simulate a fast-swimming big fish with multiple finlets or fish schooling, we need fine grids and/or a big computational domain, which are big challenges for 3-D simulations. In current work, based on the 3-D finite-difference sharp-interface immersed boundary method for incompressible flows (Mittal et al., JCP 2008), we developed an octree-like Adaptive Mesh Refinement (AMR) technique to enhance the computational ability and increase the computational efficiency. The AMR is coupled with a multigrid acceleration technique and a MPI +OpenMP hybrid parallelization. In this work, different AMR layers are treated separately and the synchronization is performed in the buffer regions and iterations are performed for the convergence of solution. Each big region is calculated by a MPI process which then uses multiple OpenMP threads for further acceleration, so that the communication cost is reduced. With these acceleration techniques, various canonical and bio-inspired flow problems with complex boundaries can be simulated accurately and efficiently. This work is supported by the MURI Grant Number N00014-14-1-0533 and NSF Grant CBET-1605434.

An interface tracking model for droplet electrocoalescence.

Energy Technology Data Exchange (ETDEWEB)

Erickson, Lindsay Crowl

2013-09-01

This report describes an Early Career Laboratory Directed Research and Development (LDRD) project to develop an interface tracking model for droplet electrocoalescence. Many fluid-based technologies rely on electrical fields to control the motion of droplets, e.g. microfluidic devices for high-speed droplet sorting, solution separation for chemical detectors, and purification of biodiesel fuel. Precise control over droplets is crucial to these applications. However, electric fields can induce complex and unpredictable fluid dynamics. Recent experiments (Ristenpart et al. 2009) have demonstrated that oppositely charged droplets bounce rather than coalesce in the presence of strong electric fields. A transient aqueous bridge forms between approaching drops prior to pinch-off. This observation applies to many types of fluids, but neither theory nor experiments have been able to offer a satisfactory explanation. Analytic hydrodynamic approximations for interfaces become invalid near coalescence, and therefore detailed numerical simulations are necessary. This is a computationally challenging problem that involves tracking a moving interface and solving complex multi-physics and multi-scale dynamics, which are beyond the capabilities of most state-of-the-art simulations. An interface-tracking model for electro-coalescence can provide a new perspective to a variety of applications in which interfacial physics are coupled with electrodynamics, including electro-osmosis, fabrication of microelectronics, fuel atomization, oil dehydration, nuclear waste reprocessing and solution separation for chemical detectors. We present a conformal decomposition finite element (CDFEM) interface-tracking method for the electrohydrodynamics of two-phase flow to demonstrate electro-coalescence. CDFEM is a sharp interface method that decomposes elements along fluid-fluid boundaries and uses a level set function to represent the interface.

Importance of layer thermal conductivity on the sharpness of patterns produced by laser interference

Energy Technology Data Exchange (ETDEWEB)

Peláez, R.J., E-mail: rpelaez@io.cfmac.csic.es [Laser Processing Group, Instituto de Optica, CSIC, Serrano 121, 28006 Madrid (Spain); Afonso, C.N. [Laser Processing Group, Instituto de Optica, CSIC, Serrano 121, 28006 Madrid (Spain); Škereň, M. [Faculty of Nuclear Sciences and Physical Engineering, Czech Technical University in Prague, Brehova 7, 115 19 Prague 1 (Czech Republic); Bulíř, J. [Institute of Physics, ASCR, v.v.i., Na Slovance 2, Prague (Czech Republic)

2016-06-30

Highlights: • Temperature profile matches laser intensity profile in poor thermally conducting layers. • Patterns produced in poor thermally conducting layers have sharp interfaces. • Lateral heat flow smears the temperature profile in thermally conducting layers. • Both liquid and solid state dewetting occurs upon patterning thermally conducting layers. • The thermal conductivity of layers limits the minimum period achievable. - Abstract: In this work, we compare patterns produced in Ag layers having similar thickness in the range 8.3–10.8 nm but having different initial nanostructure, i.e. behaving either as discontinuous or continuous layers and thus having very different thermal conductivities. The patterns are produced by exposing a phase mask to an excimer laser operating at 193 nm and using a projection optics that leads to similar fringed patterns with periods in the range 6.3–6.7 μm. The layer breaks up into isolated NPs due to laser induced melting at the regions around the intensity maxima sites. The resulting fringes have sharp interfaces in the case of discontinuous layers while a variety of regions across the pattern with no sharp interfaces are produced in the case of continuous layers. The results show that while the temperature distribution across the pattern matches almost perfectly the laser beam intensity profile for the former case, it becomes smeared due to lateral heat flow for the latter case. These results provide evidences for significant heating at the intensity minima sites that lead to solid-state dewetting and will eventually limit the minimum period achievable in the case of continuous metal layers or thermally conducting layers.

Epitaxial Growth of MgxCa1-xO on GaN by Atomic Layer Deposition.

Science.gov (United States)

Lou, Xiabing; Zhou, Hong; Kim, Sang Bok; Alghamdi, Sami; Gong, Xian; Feng, Jun; Wang, Xinwei; Ye, Peide D; Gordon, Roy G

2016-12-14

We demonstrate for the first time that a single-crystalline epitaxial Mg x Ca 1-x O film can be deposited on gallium nitride (GaN) by atomic layer deposition (ALD). By adjusting the ratio between the amounts of Mg and Ca in the film, a lattice matched Mg x Ca 1-x O/GaN(0001) interface can be achieved with low interfacial defect density. High-resolution X-ray diffraction (XRD) shows that the lattice parameter of this ternary oxide nearly obeys Vegard's law. An atomically sharp interface from cross-sectional transmission electron microscopy (TEM) confirmed the high quality of the epitaxy. High-temperature capacitance-voltage characterization showed that the film with composition Mg 0.25 Ca 0.75 O has the lowest interfacial defect density. With this optimal oxide composition, a Mg 0.25 Ca 0.75 O/AlGaN/GaN metal-oxide-semiconductor high-electron-mobility (MOS-HEMT) device was fabricated. An ultrahigh on/off ratio of 10 12 and a near ideal SS of 62 mV/dec were achieved with this device.

Quantitative atom column position analysis at the incommensurate interfaces of a (PbS)1.14NbS2 misfit layered compound with aberration-corrected HRTEM

International Nuclear Information System (INIS)

Garbrecht, M.; Spiecker, E.; Tillmann, K.; Jaeger, W.

2011-01-01

Aberration-corrected HRTEM is applied to explore the potential of NCSI contrast imaging to quantitatively analyse the complex atomic structure of misfit layered compounds and their incommensurate interfaces. Using the (PbS) 1.14 NbS 2 misfit layered compound as a model system it is shown that atom column position analyses at the incommensurate interfaces can be performed with precisions reaching a statistical accuracy of ±6 pm. The procedure adopted for these studies compares experimental images taken from compound regions free of defects and interface modulations with a structure model derived from XRD experiments and with multi-slice image simulations for the corresponding NCSI contrast conditions used. The high precision achievable in such experiments is confirmed by a detailed quantitative analysis of the atom column positions at the incommensurate interfaces, proving a tetragonal distortion of the monochalcogenide sublattice. -- Research Highlights: → Quantitative aberration-corrected HRTEM analysis of atomic column positions in (PbS) 1.14 NbS 2 misfit layered compound reveals tetragonal distortion of the PbS subsystem. → Detailed comparison of multi-slice simulations with the experimental NCSI contrast condition imaging results lead to a high precision (better than 10 pm) for determining the positions of atoms. → Precision in gaining information of local structure at atomic scale is demonstrated, which may not be accessible by means of X-ray and neutron diffraction analysis.

Atomic composition of WC/ and Zr/O-terminated diamond Schottky interfaces close to ideality

Energy Technology Data Exchange (ETDEWEB)

Piñero, J.C., E-mail: josecarlos.pinero@uca.es [Dpto. Ciencias de los Materiales, Universidad de Cádiz, Puerto Real, Cádiz,11510 (Spain); Araújo, D. [Dpto. Ciencias de los Materiales, Universidad de Cádiz, Puerto Real, Cádiz,11510 (Spain); Fiori, A. [National Institute for Materials Science, Tsukuba, Ibaraki (Japan); Traoré, A. [Institut Néel, CNRS-UJF, av. des Martyrs, Grenoble,38042 France (France); Villar, M.P. [Dpto. Ciencias de los Materiales, Universidad de Cádiz, Puerto Real, Cádiz,11510 (Spain); Eon, D.; Muret, P.; Pernot, J. [Institut Néel, CNRS-UJF, av. des Martyrs, Grenoble,38042 France (France); Teraji, T. [National Institute for Materials Science, Tsukuba, Ibaraki (Japan)

2017-02-15

Highlights: • Metal/O-terminated diamond interfaces are analyzed by a variety of TEM techniques. • Thermal treatment is shown to modify structural and chemical interface properties. • Electrical behavior vs annealing is shown to be related with interface modification. • Interfaces are characterized with atomic resolution to probe inhomogeneities. • Oxide formation and modification is demonstrated in both Schottky diodes. - Abstract: Electrical and nano-structural properties of Zr and WC-based Schottky power diodes are compared and used for investigating oxide-related effects at the diamond/metal interface. Differences in Schottky barrier heights and ideality factors of both structures are shown to be related with the modification of the oxygen-terminated diamond/metal interface configuration. Oxide formation, oxide thickness variations and interfacial oxygen redistribution, associated with thermal treatment are demonstrated. Ideality factors close to ideality (n{sub WC} = 1.02 and n{sub Zr} = 1.16) are obtained after thermal treatment and are shown to be related with the relative oxygen content at the surface (OCR{sub WC} = 3.03 and OCR{sub Zr} = 1.5). Indeed, thermal treatment at higher temperatures is shown to promote an escape of oxygen for the case of the WC diode, while it generates a sharper accumulation of oxygen at the metal/diamond interface for the case of Zr diode. Therefore, the metal-oxygen affinity is shown to be a key parameter to improve diamond-based Schottky diodes.

Interface effects on the electronic transport properties in highly epitaxial LaBaCo2O(5.5+δ) films.

Science.gov (United States)

Ma, C R; Liu, M; Liu, J; Collins, G; Zhang, Y M; Wang, H B; Chen, C L; Lin, Y; He, J; Jiang, J C; Meletis, E I; Jacobson, A J

2014-02-26

Single-crystalline perovskite LaBaCo2O5.5+δ thin films were grown on a (110) NdGaO3 single-crystal substrate in order to systematically investigate the effect of lattice mismatch on the electrical transport properties in comparison to the films on LaAlO3, SrTiO3, and MgO substrates. Microstructure studies reveal that all of the LaBaCo2O5.5+δ films are of excellent quality with atomically sharp interface structures. The electrical and magnetic transport property studies indicate that the resistivity, magnetoresistance, and magnetic moment of the film are very sensitive to the substrate materials because of the lattice mismatch/interface strain. The Curie temperature, however, is almost independent of the strain imposed by the substrate, probably because of the strong coupling between the nanodomain boundary and interface strain.

SHARP1: A revised systematic human action reliability procedure

International Nuclear Information System (INIS)

Wakefield, D.J.; Parry, G.W.; Hannaman, G.W.; Spurgin, A.J.

1990-12-01

Individual plant examinations (IPE) are being performed by utilities to evaluate plant-specific vulnerabilities to severe accidents. A major tool in performing an IPE is a probabilistic risk assessment (PRA). The importance of human interactions in determining the plant response in past PRAs is well documented. The modeling and quantification of the probabilities of human interactions have been the subjects of considerable research by the Electric Power Research Institute (EPRI). A revised framework, SHARP1, for incorporating human interactions into PRA is summarized in this report. SHARP1 emphasizes that the process stages are iterative and directed at specific goals rather than being performed sequentially in a stepwise procedure. This expanded summary provides the reader with a flavor of the full report content. Excerpts from the full report are presented, following the same outline as the full report. In the full report, the interface of the human reliability analysis with the plant logic model development in a PRA is given special attention. In addition to describing a methodology framework, the report also discusses the types of human interactions to be evaluated, and how to formulate a project team to perform the human reliability analysis. A concise description and comparative evaluation of the selected existing methods of quantification of human error are also presented. Four case studies are also provided to illustrate the SHARP1 process

Atom-probe tomographic study of interfaces of Cu{sub 2}ZnSnS{sub 4} photovoltaic cells

Energy Technology Data Exchange (ETDEWEB)

Tajima, S., E-mail: e0954@mosk.tytlabs.co.jp; Asahi, R.; Itoh, T.; Hasegawa, M.; Ohishi, K. [Toyota Central R and D Labs., Inc., 41-1 Yokomichi, Nagakute, Aichi 480-1192 (Japan); Isheim, D.; Seidman, D. N. [Northwestern University, Evanston, Illinois 60208-3108 (United States)

2014-09-01

The heterophase interfaces between the CdS buffer layer and the Cu{sub 2}ZnSnS{sub 4} (CZTS) absorption layers are one of the main factors affecting photovoltaic performance of CZTS cells. We have studied the compositional distributions at heterophase interfaces in CZTS cells using three-dimensional atom-probe tomography. The results demonstrate: (a) diffusion of Cd into the CZTS layer; (b) segregation of Zn at the CdS/CZTS interface; and (c) a change of oxygen and hydrogen concentrations in the CdS layer depending on the heat treatment. Annealing at 573 K after deposition of CdS improves the photovoltaic properties of CZTS cells probably because of the formation of a heterophase epitaxial junction at the CdS/CZTS interface. Conversely, segregation of Zn at the CdS/CZTS interface after annealing at a higher temperature deteriorates the photovoltaic properties.

Simulations of the temperature dependence of static friction at the N2/Pb interface

International Nuclear Information System (INIS)

Brigazzi, M; Santoro, G; Franchini, A; Bortolani, V

2007-01-01

A molecular dynamics approach for studying the static friction between two bodies, an insulator and a metal, as a function of the temperature is presented. The upper block is formed by N 2 molecules and the lower block by Pb atoms. In both slabs the atoms are mobile. The interaction potential in each block describes properly the lattice dynamics of the system. We show that the lattice vibrations and the structural disorder are responsible for the behaviour of the static friction as a function of the temperature. We found that a large momentum transfer from the Pb atoms to the N 2 molecules misplaces the N 2 planes in the proximity of the interface. Around T = 20 K this effect produces the formation of an hcp stacking at the interface. By increasing the temperature, the hcp stacking propagates into the slab, toward the surface. Above T = 25 K, our analysis shows a sharp, rapid drop of more than three order of magnitude in the static friction force due to the misplacing of planes in the stacking of the fcc(111) layers, which are no longer in the minimum energy configuration. Above T = 35 K, we also observe a tendency for the splitting of planes and the formation of steps near the surface. By increasing the temperature we obtain the subsequent melting of the N 2 slab interface layer at T = 50 K. The temperature behaviour of the calculated static friction is in good agreement with recent measurements made with the quartz crystal microbalance (QCM) method on the same system

Atomic mechanism of shear localization during indentation of a nanostructured metal

International Nuclear Information System (INIS)

Sansoz, F.; Dupont, V.

2007-01-01

Shear localization is an important mode of deformation in nanocrystalline metals. However, it is very difficult to verify the existence of local shear planes in nanocrystalline metals experimentally. Sharp indentation techniques may provide novel opportunities to investigate the effect of shear localization at different length scales, but the relationship between indentation response and atomic-level shear band formation has not been fully addressed. This paper describes an effort to provide direct insight on the mechanism of shear localization during indentation of nanocrystalline metals from atomistic simulations. Molecular statics is performed with the quasi-continuum method to simulate the indentation of single crystal and nanocrystalline Al with a sharp cylindrical probe. In the nanocrystalline regime, two grain sizes are investigated, 5 nm and 10 nm. We find that the indentation of nanocrystalline metals is characterized by serrated plastic flow. This effect seems to be independent of the grain size. Serration in nanocrystalline metals is found to be associated with the formation of shear bands by sliding of aligned interfaces and intragranular slip, which results in deformation twinning

Performance of a liquid-junction interface for capillary electrophoresis mass spectrometry using continuous-flow fast-atom bombardment

NARCIS (Netherlands)

Reinhoud, N.J.; Niessen, W.M.A.; Tjaden, U.R.; Gramberg, L.G.; Verheij, E.R.; Greef, J. van der

1989-01-01

The on-line coupling of capillary electrophoresis and mass spectrometry using a continuous-flow fast-atom bombardment system in combination with a liquid-junction interface is described. The influence of the liquid-junction coupling on the efficiency and the resolution is investigated. Qualitative

Atomically Thin Heterostructures Based on Single-Layer Tungsten Diselenide and Graphene

KAUST Repository

Lin, Yu-Chuan

2014-11-10

Heterogeneous engineering of two-dimensional layered materials, including metallic graphene and semiconducting transition metal dichalcogenides, presents an exciting opportunity to produce highly tunable electronic and optoelectronic systems. In order to engineer pristine layers and their interfaces, epitaxial growth of such heterostructures is required. We report the direct growth of crystalline, monolayer tungsten diselenide (WSe2) on epitaxial graphene (EG) grown from silicon carbide. Raman spectroscopy, photoluminescence, and scanning tunneling microscopy confirm high-quality WSe2 monolayers, whereas transmission electron microscopy shows an atomically sharp interface, and low energy electron diffraction confirms near perfect orientation between WSe2 and EG. Vertical transport measurements across the WSe2/EG heterostructure provides evidence that an additional barrier to carrier transport beyond the expected WSe2/EG band offset exists due to the interlayer gap, which is supported by theoretical local density of states (LDOS) calculations using self-consistent density functional theory (DFT) and nonequilibrium Green\\'s function (NEGF).

Atomically Thin Heterostructures Based on Single-Layer Tungsten Diselenide and Graphene

KAUST Repository

Lin, Yu-Chuan; Chang, Chih-Yuan S.; Ghosh, Ram Krishna; Li, Jie; Zhu, Hui; Addou, Rafik; Diaconescu, Bogdan; Ohta, Taisuke; Peng, Xin; Lu, Ning; Kim, Moon J.; Robinson, Jeremy T.; Wallace, Robert M; Mayer, Theresa S.; Datta, Suman; Li, Lain-Jong; Robinson, Joshua A.

2014-01-01

Heterogeneous engineering of two-dimensional layered materials, including metallic graphene and semiconducting transition metal dichalcogenides, presents an exciting opportunity to produce highly tunable electronic and optoelectronic systems. In order to engineer pristine layers and their interfaces, epitaxial growth of such heterostructures is required. We report the direct growth of crystalline, monolayer tungsten diselenide (WSe2) on epitaxial graphene (EG) grown from silicon carbide. Raman spectroscopy, photoluminescence, and scanning tunneling microscopy confirm high-quality WSe2 monolayers, whereas transmission electron microscopy shows an atomically sharp interface, and low energy electron diffraction confirms near perfect orientation between WSe2 and EG. Vertical transport measurements across the WSe2/EG heterostructure provides evidence that an additional barrier to carrier transport beyond the expected WSe2/EG band offset exists due to the interlayer gap, which is supported by theoretical local density of states (LDOS) calculations using self-consistent density functional theory (DFT) and nonequilibrium Green's function (NEGF).

DTK C/Fortran Interface Development for NEAMS FSI Simulations

Energy Technology Data Exchange (ETDEWEB)

Slattery, Stuart R. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Lebrun-Grandie, Damien T. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

2016-09-19

This report documents the development of DataTransferKit (DTK) C and Fortran interfaces for fluid-structure-interaction (FSI) simulations in NEAMS. In these simulations, the codes Nek5000 and Diablo are being coupled within the SHARP framework to study flow-induced vibration (FIV) in reactor steam generators. We will review the current Nek5000/Diablo coupling algorithm in SHARP and the current state of the solution transfer scheme used in this implementation. We will then present existing DTK algorithms which may be used instead to provide an improvement in both flexibility and scalability of the current SHARP implementation. We will show how these can be used within the current FSI scheme using a new set of interfaces to the algorithms developed by this work. These new interfaces currently expose the mesh-free solution transfer algorithms in DTK, a C++ library, and are written in C and Fortran to enable coupling of both Nek5000 and Diablo in their native Fortran language. They have been compiled and tested on Cooley, the test-bed machine for Mira at ALCF.

A distributed, graphical user interface based, computer control system for atomic physics experiments.

Science.gov (United States)

Keshet, Aviv; Ketterle, Wolfgang

2013-01-01

Atomic physics experiments often require a complex sequence of precisely timed computer controlled events. This paper describes a distributed graphical user interface-based control system designed with such experiments in mind, which makes use of off-the-shelf output hardware from National Instruments. The software makes use of a client-server separation between a user interface for sequence design and a set of output hardware servers. Output hardware servers are designed to use standard National Instruments output cards, but the client-server nature should allow this to be extended to other output hardware. Output sequences running on multiple servers and output cards can be synchronized using a shared clock. By using a field programmable gate array-generated variable frequency clock, redundant buffers can be dramatically shortened, and a time resolution of 100 ns achieved over effectively arbitrary sequence lengths.

A distributed, graphical user interface based, computer control system for atomic physics experiments

Science.gov (United States)

Keshet, Aviv; Ketterle, Wolfgang

2013-01-01

Atomic physics experiments often require a complex sequence of precisely timed computer controlled events. This paper describes a distributed graphical user interface-based control system designed with such experiments in mind, which makes use of off-the-shelf output hardware from National Instruments. The software makes use of a client-server separation between a user interface for sequence design and a set of output hardware servers. Output hardware servers are designed to use standard National Instruments output cards, but the client-server nature should allow this to be extended to other output hardware. Output sequences running on multiple servers and output cards can be synchronized using a shared clock. By using a field programmable gate array-generated variable frequency clock, redundant buffers can be dramatically shortened, and a time resolution of 100 ns achieved over effectively arbitrary sequence lengths.

Sharps container

Science.gov (United States)

Lee, Angelene M. (Inventor)

1992-01-01

This invention relates to a system for use in disposing of potentially hazardous items and more particularly a Sharps receptacle for used hypodermic needles and the like. A Sharps container is constructed from lightweight alodined nonmagnetic metal material with a cup member having an elongated tapered shape and length greater than its transverse dimensions. A magnet in the cup member provides for metal retention in the container. A nonmagnetic lid member has an opening and spring biased closure flap member. The flap member is constructed from stainless steel. A Velcro patch on the container permits selective attachment at desired locations.

Almost sharp quantum effects

International Nuclear Information System (INIS)

Arias, Alvaro; Gudder, Stan

2004-01-01

Quantum effects are represented by operators on a Hilbert space satisfying 0≤A≤I, and sharp quantum effects are represented by projection operators. We say that an effect A is almost sharp if A=PQP for projections P and Q. We give simple characterizations of almost sharp effects. We also characterize effects that can be written as longer products of projections. For generality we first work in the formalism of von Neumann algebras. We then specialize to the full operator algebra B(H) and to finite dimensional Hilbert spaces

Diffuse-Interface Methods in Fluid Mechanics

Science.gov (United States)

Anderson, D. M.; McFadden, G. B.; Wheeler, A. A.

1997-01-01

The authors review the development of diffuse-interface models of hydrodynamics and their application to a wide variety of interfacial phenomena. The authors discuss the issues involved in formulating diffuse-interface models for single-component and binary fluids. Recent applications and computations using these models are discussed in each case. Further, the authors address issues including sharp-interface analyses that relate these models to the classical free-boundary problem, related computational approaches to describe interfacial phenomena, and related approaches describing fully-miscible fluids.

Atomic structure and thermal stability of interfaces between metallic glass and embedding nano-crystallites revealed by molecular dynamics simulations

Energy Technology Data Exchange (ETDEWEB)

Gao, X.Z.; Yang, G.Q.; Xu, B.; Qi, C.; Kong, L.T., E-mail: konglt@sjtu.edu.cn; Li, J.F.

2015-10-25

Molecular dynamics simulations were performed to investigate the atomic structure and thermal stability of interfaces formed between amorphous Cu{sub 50}Zr{sub 50} matrix and embedding B2 CuZr nano-crystallites. The interfaces are found to be rather abrupt, and their widths show negligible dependence on the nano-crystallite size. Local atomic configuration in the interfacial region is dominated by geometry characterized by Voronoi polyhedra <0,5,2,6> and <0,4,4,6>, and the contents of these polyhedra also exhibit apparent size dependence, which in turn results in an increasing trend in the interfacial energy against the nano-crystallite size. Annealing of the interface models at elevated temperatures will also enrich these characterizing polyhedra. While when the temperature is as high as the glass transition temperature of the matrix, growth of the nano-crystallites will be appreciable. The growth activation energy also shows size dependence, which is lower for larger nano-crystallites, suggesting that large nano-crystallites are prone to grow upon thermal disturbance. - Highlights: • Special clusters characterizing the local geometry are abundant in the interfaces. • Their content varies with the size of the embedding nano-crystallite. • In turn, size dependences in interfacial thermodynamics and kinetics are observed.

Tracking sharp interface of two fluids by the CIP (cubic-interpolated propagation) scheme

International Nuclear Information System (INIS)

Yabe, T.; Xiao, F.

1993-01-01

A method to treat a sharp discontinuity by the density function is proposed. The surface of the density function is described by one grid throughout the calculation even when the surface is largely distorted. This description is made possible by the CIP method combined with variable transformation. This scheme is applied to the linear wave propagation in one- and two-dimensions. In the nonlinear case, the injection of heavier fluid into lighter fluid his calculated and the winding of mushroom structure is successfully treated by the density function. (author)

Exploring the science-policy interface.

Science.gov (United States)

Davies, Justine

2010-04-30

The sacking of David Nutt from his position as Chair of a UK government science advisory council has thrown the interface between science and policy into sharp relief. Justine Davies takes a look behind the scenes. 2010 Elsevier Inc. All rights reserved.

Chain-Branching Control of the Atomic Structure of Alkanethiol-Based Gold–Sulfur Interfaces

DEFF Research Database (Denmark)

Wang, Yun; Chi, Qijin; Zhang, Jingdong

2011-01-01

Density functional theory structure calculations at 0 K and simulations at 300 K of observed high-resolution in situ scanning tunneling microscopy (STM) images reveal three different atomic-interface structures for the self-assembled monolayers (SAMs) of three isomeric butanethiols on Au(111......): direct binding to the Au(111) surface without pitting, binding to adatoms above a regular surface with extensive pitting, and binding to adatoms with local surface vacancies and some pitting. Thermal motions are shown to produce some observed STM features, with a very tight energy balance controlling...

Analysis of sharpness increase by image noise

Science.gov (United States)

Kurihara, Takehito; Aoki, Naokazu; Kobayashi, Hiroyuki

2009-02-01

Motivated by the reported increase in sharpness by image noise, we investigated how noise affects sharpness perception. We first used natural images of tree bark with different amounts of noise to see whether noise enhances sharpness. Although the result showed sharpness decreased as noise amount increased, some observers seemed to perceive more sharpness with increasing noise, while the others did not. We next used 1D and 2D uni-frequency patterns as stimuli in an attempt to reduce such variability in the judgment. The result showed, for higher frequency stimuli, sharpness decreased as the noise amount increased, while sharpness of the lower frequency stimuli increased at a certain noise level. From this result, we thought image noise might reduce sharpness at edges, but be able to improve sharpness of lower frequency component or texture in image. To prove this prediction, we experimented again with the natural image used in the first experiment. Stimuli were made by applying noise separately to edge or to texture part of the image. The result showed noise, when added to edge region, only decreased sharpness, whereas when added to texture, could improve sharpness. We think it is the interaction between noise and texture that sharpens image.

Microwave multiphoton excitation of helium Rydberg atoms: The analogy with atomic collisions

International Nuclear Information System (INIS)

van de Water, W.; van Leeuwen, K.A.H.; Yoakum, S.; Galvez, E.J.; Moorman, L.; Bergeman, T.; Sauer, B.E.; Koch, P.M.

1989-01-01

We study multiphoton transitions in helium Rydberg atoms subjected to a microwave electric field of fixed frequency but varying intensity. For each principal quantum number in the range n=25--32, the n 3 S to n 3 (L>2), n=25--32, transition probability exhibits very sharp structures as a function of the field amplitude. Their positions could be reproduced precisely using a Floquet Hamiltonian for the interaction between atom and field. Their shapes are determined by the transients of field turn-on and turn-off in a way that makes a close analogy with the theory of slow atomic collisions

Magnetic exchange at realistic CoO/Ni interfaces

KAUST Repository

Grytsiuk, Sergii

2012-07-30

We study the CoO/Ni interface by first principles calculations. Because the lattice mismatch is large, a realistic description requires a huge supercell. We investigate two interface configurations: in interface 1 the coupling between the Ni and Co atoms is mediated by O, whereas in interface 2 the Ni and Co atoms are in direct contact. We find that the magnetization (including the orbital moment) in interface 1 has a similar value as in bulk Ni but opposite sign, while in interface 2 it grows by 164%. The obtained magnetic moments can be explained by the local atomic environments. In addition, we find effects of charge transfer between the interface atoms. The Co 3d local density of states of interface 2 exhibits surprisingly small deviations from the corresponding bulk result, although the first coordination sphere is no longer octahedral. © Springer-Verlag 2012.

Magnetic exchange at realistic CoO/Ni interfaces

KAUST Repository

Grytsyuk, Sergiy; Cossu, Fabrizio; Schwingenschlö gl, Udo

2012-01-01

We study the CoO/Ni interface by first principles calculations. Because the lattice mismatch is large, a realistic description requires a huge supercell. We investigate two interface configurations: in interface 1 the coupling between the Ni and Co atoms is mediated by O, whereas in interface 2 the Ni and Co atoms are in direct contact. We find that the magnetization (including the orbital moment) in interface 1 has a similar value as in bulk Ni but opposite sign, while in interface 2 it grows by 164%. The obtained magnetic moments can be explained by the local atomic environments. In addition, we find effects of charge transfer between the interface atoms. The Co 3d local density of states of interface 2 exhibits surprisingly small deviations from the corresponding bulk result, although the first coordination sphere is no longer octahedral. © Springer-Verlag 2012.

Atomic layer deposited oxide films as protective interface layers for integrated graphene transfer

Science.gov (United States)

Cabrero-Vilatela, A.; Alexander-Webber, J. A.; Sagade, A. A.; Aria, A. I.; Braeuninger-Weimer, P.; Martin, M.-B.; Weatherup, R. S.; Hofmann, S.

2017-12-01

The transfer of chemical vapour deposited graphene from its parent growth catalyst has become a bottleneck for many of its emerging applications. The sacrificial polymer layers that are typically deposited onto graphene for mechanical support during transfer are challenging to remove completely and hence leave graphene and subsequent device interfaces contaminated. Here, we report on the use of atomic layer deposited (ALD) oxide films as protective interface and support layers during graphene transfer. The method avoids any direct contact of the graphene with polymers and through the use of thicker ALD layers (≥100 nm), polymers can be eliminated from the transfer-process altogether. The ALD film can be kept as a functional device layer, facilitating integrated device manufacturing. We demonstrate back-gated field effect devices based on single-layer graphene transferred with a protective Al2O3 film onto SiO2 that show significantly reduced charge trap and residual carrier densities. We critically discuss the advantages and challenges of processing graphene/ALD bilayer structures.

Nonlinear optical and atomic systems at the interface of physics and mathematics

CERN Document Server

Garreau, Jean-Claude

2015-01-01

Focusing on the interface between mathematics and physics, this book offers an introduction to the physics, the mathematics, and the numerical simulation of nonlinear systems in optics and atomic physics. The text covers a wide spectrum of current research on the subject, which is  an extremely active field in physics and mathematical physics, with a very broad range of implications, both for fundamental science and technological applications: light propagation in microstructured optical fibers, Bose-Einstein condensates, disordered systems, and the newly emerging field of nonlinear quantum mechanics.   Accessible to PhD students, this book will also be of interest to post-doctoral researchers and seasoned academics.

Atomic displacement distributions for light energetic atoms incident on heavy atom targets

International Nuclear Information System (INIS)

Brice, D.K.

1975-01-01

The depth distributions of atomic displacements produced by 4 to 100 keV H, D, and He ions incident on Cr, Mo, and W targets have been calculated using a sharp displacement threshold, E/sub d/ = 35 eV, and a previously described calculational procedure. These displacement depth distributions have been compared with the depth distributions of energy deposited into atomic processes to determine if a proportionality (modified Kinchin--Pease relationship) can be established. Such a relationship does exist for He ions and D ions incident on these metals at energies above 4 keV and 20 keV, respectively. For H ions the two distributions have significantly different shapes at all incident energies considered

Two component injection moulding: an interface quality and bond strength dilemma

DEFF Research Database (Denmark)

Islam, Mohammad Aminul; Hansen, Hans Nørgaard; Tang, Peter Torben

2008-01-01

on quality parameters of the two component parts. Most engineering applications of two component injection moulding calls for high bond strength between the two polymers, on the other hand a sharp and well-defined interface between the two polymers are required for applications like selective metallization...... of polymers, parts for micro applications and also for the aesthetic purpose of the final product. The investigation presented in this paper indicates a dilemma between obtaining reasonably good bond strength and at the same time keeping the interface quality suitable for applications. The required process...... conditions for a sharp and well-defined interface are exactly the opposite of what is congenial for higher bond strength. So in the production of two component injection moulded parts, there is a compromise to make between the interface quality and the bond strength of the two polymers. Also the injection...

Scattering of Hyperthermal Nitrogen Atoms from the Ag(111) Surface

NARCIS (Netherlands)

Ueta, H.; Gleeson, M. A.; Kleyn, A. W.

2009-01-01

Measurements on scattering of hyperthermal N atoms from the Ag(111) Surface at temperatures of 500, 600, and 730 K are presented. The scattered atoms have a two-component angular distribution. One of the N components is very broad. In contrast, scattered Ar atoms exhibit only a sharp,

Epitaxial ferromagnetic Fe3Si on GaAs(111)A with atomically smooth surface and interface

International Nuclear Information System (INIS)

Liu, Y. C.; Hung, H. Y.; Kwo, J.; Chen, Y. W.; Lin, Y. H.; Cheng, C. K.; Hong, M.; Tseng, S. C.; Hsu, C. H.; Chang, M. T.; Lo, S. C.

2015-01-01

Single crystal ferromagnetic Fe 3 Si(111) films were grown epitaxially on GaAs(111)A by molecular beam epitaxy. These hetero-structures possess extremely low surface roughness of 1.3 Å and interfacial roughness of 1.9 Å, measured by in-situ scanning tunneling microscope and X-ray reflectivity analyses, respectively, showing superior film quality, comparing to those attained on GaAs(001) in previous publications. The atomically smooth interface was revealed by the atomic-resolution Z (atomic number)-contrast scanning transmission electron microscopy (STEM) images using the correction of spherical aberration (Cs)-corrected electron probe. Excellent crystallinity and perfect lattice match were both confirmed by high resolution x-ray diffraction. Measurements of magnetic property for the Fe 3 Si/GaAs(111) yielded a saturation moment of 990 emu/cm 3 with a small coercive field ≤1 Oe at room temperature

The stratigraphy and evolution of lower Mount Sharp from spectral, morphological, and thermophysical orbital data sets.

Science.gov (United States)

Fraeman, A A; Ehlmann, B L; Arvidson, R E; Edwards, C S; Grotzinger, J P; Milliken, R E; Quinn, D P; Rice, M S

2016-09-01

We have developed a refined geologic map and stratigraphy for lower Mount Sharp using coordinated analyses of new spectral, thermophysical, and morphologic orbital data products. The Mount Sharp group consists of seven relatively planar units delineated by differences in texture, mineralogy, and thermophysical properties. These units are (1-3) three spatially adjacent units in the Murray formation which contain a variety of secondary phases and are distinguishable by thermal inertia and albedo differences, (4) a phyllosilicate-bearing unit, (5) a hematite-capped ridge unit, (6) a unit associated with material having a strongly sloped spectral signature at visible near-infrared wavelengths, and (7) a layered sulfate unit. The Siccar Point group consists of the Stimson formation and two additional units that unconformably overlie the Mount Sharp group. All Siccar Point group units are distinguished by higher thermal inertia values and record a period of substantial deposition and exhumation that followed the deposition and exhumation of the Mount Sharp group. Several spatially extensive silica deposits associated with veins and fractures show that late-stage silica enrichment within lower Mount Sharp was pervasive. At least two laterally extensive hematitic deposits are present at different stratigraphic intervals, and both are geometrically conformable with lower Mount Sharp strata. The occurrence of hematite at multiple stratigraphic horizons suggests redox interfaces were widespread in space and/or in time, and future measurements by the Mars Science Laboratory Curiosity rover will provide further insights into the depositional settings of these and other mineral phases.

Study on atomic and electronic structures of ceramic materials using spectroscopy, microscopy, and first principles calculation

International Nuclear Information System (INIS)

Mizoguchi, Teruyasu

2011-01-01

In this review, following two topics are introduced: 1) experimental and theoretical electron energy loss (EEL) near edge structures (ELNES) and X-ray absorption near edge structures (XANES), and 2) atomic and electronic structure analysis of ceramic interface by combing spectroscopy, microscopy, and first principles calculation. In the ELNES/XANES calculation, it is concluded that inclusion of core-hole effect in the calculation is essential. By combining high energy resolution observation and theoretical calculation, detailed analysis of the electronic structure is achieved. In addition, overlap population (OP) diagram is used to interpret the spectrum. In the case of AlN, sharp and intense first peak of N-K edge is found to reflect narrow dispersion of the conduction band bottom. By applying ELNES and the OP diagram to Cu/Al 2 O 3 heterointerface, it is revealed that intensity of prepeak in O-K edge is inverse proportional to interface strength. The relationships between atomic structure and defect energetics at SrTiO 3 grain boundary are also investigated, and reveal that the formation behavior of Ti vacancy is sensitive to the structural distortion. In addition, by using state-of-the-art spectroscopy, microscopy, and first principles calculations, atomic scale visualization of fluorine dopant in LaFeOAs and first principles calculation of HfO 2 phase transformation are demonstrated. (author)

The SHARP scramjet launcher

Energy Technology Data Exchange (ETDEWEB)

Cartland, H.; Fiske, P.; Greenwood, R.; Hargiss, D.; Heston, P.; Hinsey, N.; Hunter, J.; Massey, W.

1995-01-10

The worlds largest light gas gun at SHARP (Super High Altitude Research Project) is completed and in the past year has launched 9 scramjets. Typical masses and velocities are 5.9 kg at 2.8 km/sec.and 4.4 kg at 3.1 km/sec. In so doing SHARP launched the first fully functioning, hydrogen burning scramjet at mach 8. The SHARP launcher is unique in having a 4 inch diameter and 155 foot-long barrel. This enables lower acceleration launches than any other system. In addition the facility can deliver high energy projectiles to targets in the open air without having to contain the impact fragments. This allows one to track lethality test debris for several thousand feet.

Atomic-Scale Simulation of Electrochemical Processes at Electrode/Water Interfaces under Referenced Bias Potential.

Science.gov (United States)

Bouzid, Assil; Pasquarello, Alfredo

2018-04-19

Based on constant Fermi-level molecular dynamics and a proper alignment scheme, we perform simulations of the Pt(111)/water interface under variable bias potential referenced to the standard hydrogen electrode (SHE). Our scheme yields a potential of zero charge μ pzc of ∼0.22 eV relative to the SHE and a double layer capacitance C dl of ≃19 μF cm -2 , in excellent agreement with experimental measurements. In addition, we study the structural reorganization of the electrical double layer for bias potentials ranging from -0.92 eV to +0.44 eV and find that O down configurations, which are dominant at potentials above the pzc, reorient to favor H down configurations as the measured potential becomes negative. Our modeling scheme allows one to not only access atomic-scale processes at metal/water interfaces, but also to quantitatively estimate macroscopic electrochemical quantities.

A three-dimensional sharp interface model for self-consistent keyhole and weld pool dynamics in deep penetration laser welding

International Nuclear Information System (INIS)

Pang Shengyong; Chen Liliang; Zhou Jianxin; Yin Yajun; Chen Tao

2011-01-01

A three-dimensional sharp interface model is proposed to investigate the self-consistent keyhole and weld pool dynamics in deep penetration laser welding. The coupling of three-dimensional heat transfer, fluid flow and keyhole free surface evolutions in the welding process is simulated. It is theoretically confirmed that under certain low heat input welding conditions deep penetration laser welding with a collapsing free keyhole could be obtained and the flow directions near the keyhole wall are upwards and approximately parallel to the keyhole wall. However, significantly different weld pool dynamics in a welding process with an unstable keyhole are numerically found. Many flow patterns in the welding process with an unstable keyhole, verified by x-ray transmission experiments, were successfully simulated and analysed. Periodical keyhole collapsing and bubble formation processes are also successfully simulated and believed to be in good agreement with experiments. The mechanisms of keyhole instability are found to be closely associated with the behaviour of humps on the keyhole wall, and it is found that the welding speed and surface tension are closely related to the formation of humps on the keyhole wall. It is also shown that the weld pool dynamics in laser welding with an unstable keyhole are closely associated with the transient keyhole instability and therefore modelling keyhole and weld pool in a self-consistent way is significant to understand the physics of laser welding.

In situ atomic-level observation of the formation of platinum silicide at platinum-silicon oxide interfaces under electron irradiation

Directory of Open Access Journals (Sweden)

Takeshi Nagase

2018-05-01

Full Text Available In situ atomic-level observation of the formation of Pt2Si at Pt/SiOx interface by electronic excitation under electron irradiation was performed by using scanning transmission electron microscopy. Scanning of an electron-beam probe stimulates silicide formation at the Pt/SiOx interface; the change in the Pt column corresponding to Pt2Si formation with a crystallographic orientation of (001Pt//(001Pt2Si and [110]Pt//[110]Pt2Si was observed in high-angle annular dark-field images.

First-principles modeling of interfaces between solids with large lattice mismatch: The prototypical CoO(111)/Ni(111) interface

KAUST Repository

Grytsiuk, Sergii

2012-11-28

In this work we investigate the CoO(111)/Ni(111) interface by first-principles calculations, focusing on its structure and stability. To satisfy the approximate 5:6 ratio of the CoO and Ni lattice constants, we construct a supercell with 5×5 Co (O) and 6×6 Ni atoms per layer in the bulk regions. For the interface Ni layer and the adjacent Ni layer we consider different configurations and study the binding energy. We show for an ideal CoO interface terminated by 5×5 O atoms that the structure is more stable if there are 5×5 Ni atoms next to it instead of 6×6 as in the bulk. In addition, we observe that a transition layer with 31 or 33 Ni atoms located between the interface 5×5 Ni and bulk 6×6 Ni layers (which partially reflects the structures of both these layers) enhances the stability of the CoO/Ni interface. The electronic and magnetic modifications induced by the interface formation are discussed.

First-principles modeling of interfaces between solids with large lattice mismatch: The prototypical CoO(111)/Ni(111) interface

KAUST Repository

Grytsyuk, Sergiy; Peskov, Maxim; Schwingenschlö gl, Udo

2012-01-01

In this work we investigate the CoO(111)/Ni(111) interface by first-principles calculations, focusing on its structure and stability. To satisfy the approximate 5:6 ratio of the CoO and Ni lattice constants, we construct a supercell with 5×5 Co (O) and 6×6 Ni atoms per layer in the bulk regions. For the interface Ni layer and the adjacent Ni layer we consider different configurations and study the binding energy. We show for an ideal CoO interface terminated by 5×5 O atoms that the structure is more stable if there are 5×5 Ni atoms next to it instead of 6×6 as in the bulk. In addition, we observe that a transition layer with 31 or 33 Ni atoms located between the interface 5×5 Ni and bulk 6×6 Ni layers (which partially reflects the structures of both these layers) enhances the stability of the CoO/Ni interface. The electronic and magnetic modifications induced by the interface formation are discussed.

A model for the physical adsorption of atomic hydrogen

NARCIS (Netherlands)

Bruch, L.W.; Ruijgrok, Th.W.

1979-01-01

The formation of the holding potential of physical adsorption is studied with a model in which a hydrogen atom interacts with a perfectly imaging substrate bounded by a sharp planar surface; the exclusion of the atomic electron from the substrate is an important boundary condition in the model. The

Summer High School Apprenticeship Research Program (SHARP)

Science.gov (United States)

1997-01-01

The summer of 1997 will not only be noted by NASA for the mission to Mars by the Pathfinder but also for the 179 brilliant apprentices that participated in the SHARP Program. Apprentice participation increased 17% over last year's total of 153 participants. As indicated by the End-of-the-Program Evaluations, 96% of the programs' participants rated the summer experience from very good to excellent. The SHARP Management Team began the year by meeting in Cocoa Beach, Florida for the annual SHARP Planning Conference. Participants strengthened their Education Division Computer Aided Tracking System (EDCATS) skills, toured the world-renowned Kennedy Space Center, and took a journey into space during the Alien Encounter Exercise. The participants returned to their Centers with the same goals and objectives in mind. The 1997 SHARP Program goals were: (1) Utilize NASA's mission, unique facilities and specialized workforce to provide exposure, education, and enrichment experiences to expand participants' career horizons and inspire excellence in formal education and lifelong learning. (2) Develop and implement innovative education reform initiatives which support NASA's Education Strategic Plan and national education goals. (3) Utilize established statistical indicators to measure the effectiveness of SHARP's program goals. (4) Explore new recruiting methods which target the student population for which SHARP was specifically designed. (5) Increase the number of participants in the program. All of the SHARP Coordinators reported that the goals and objectives for the overall program as well as their individual program goals were achieved. Some of the goals and objectives for the Centers were: (1) To increase the students' awareness of science, mathematics, engineering, and computer technology; (2) To provide students with the opportunity to broaden their career objectives; and (3) To expose students to a variety of enrichment activities. Most of the Center goals and

Epitaxial ferromagnetic Fe{sub 3}Si on GaAs(111)A with atomically smooth surface and interface

Energy Technology Data Exchange (ETDEWEB)

Liu, Y. C.; Hung, H. Y.; Kwo, J., E-mail: chsu@nsrrc.org.tw, E-mail: raynien@phys.nthu.edu.tw, E-mail: mhong@phys.ntu.edu.tw [Department of Physics, National Tsing Hua University, Hsinchu 30013, Taiwan (China); Chen, Y. W.; Lin, Y. H.; Cheng, C. K.; Hong, M., E-mail: chsu@nsrrc.org.tw, E-mail: raynien@phys.nthu.edu.tw, E-mail: mhong@phys.ntu.edu.tw [Graduate Institute of Applied Physics and Department of Physics, National Taiwan University, Taipei 10617, Taiwan (China); Tseng, S. C.; Hsu, C. H., E-mail: chsu@nsrrc.org.tw, E-mail: raynien@phys.nthu.edu.tw, E-mail: mhong@phys.ntu.edu.tw [National Synchrotron Radiation Research Center, Hsinchu 30076, Taiwan (China); Chang, M. T.; Lo, S. C. [Material and Chemical Research Laboratories, Industrial Technology Research Institute, Hsinchu 31040, Taiwan (China)

2015-09-21

Single crystal ferromagnetic Fe{sub 3}Si(111) films were grown epitaxially on GaAs(111)A by molecular beam epitaxy. These hetero-structures possess extremely low surface roughness of 1.3 Å and interfacial roughness of 1.9 Å, measured by in-situ scanning tunneling microscope and X-ray reflectivity analyses, respectively, showing superior film quality, comparing to those attained on GaAs(001) in previous publications. The atomically smooth interface was revealed by the atomic-resolution Z (atomic number)-contrast scanning transmission electron microscopy (STEM) images using the correction of spherical aberration (Cs)-corrected electron probe. Excellent crystallinity and perfect lattice match were both confirmed by high resolution x-ray diffraction. Measurements of magnetic property for the Fe{sub 3}Si/GaAs(111) yielded a saturation moment of 990 emu/cm{sup 3} with a small coercive field ≤1 Oe at room temperature.

Multiphase Microfluidics The Diffuse Interface Model

CERN Document Server

2012-01-01

Multiphase flows are typically described assuming that the different phases are separated by a sharp interface, with appropriate boundary conditions. This approach breaks down whenever the lengthscale of the phenomenon that is being studied is comparable with the real interface thickness, as it happens, for example, in the coalescence and breakup of bubbles and drops, the wetting and dewetting of solid surfaces and, in general, im micro-devices. The diffuse interface model resolves these probems by assuming that all quantities can vary continuously, so that interfaces have a non-zero thickness, i.e. they are "diffuse". The contributions in this book review the theory and describe some relevant applications of the diffuse interface model for one-component, two-phase fluids and for liquid binary mixtures, to model multiphase flows in confined geometries.

Impacts of oxidants in atomic layer deposition method on Al2O3/GaN interface properties

Science.gov (United States)

Taoka, Noriyuki; Kubo, Toshiharu; Yamada, Toshikazu; Egawa, Takashi; Shimizu, Mitsuaki

2018-01-01

The electrical interface properties of GaN metal-oxide-semiconductor (MOS) capacitors with an Al2O3 gate insulator formed by atomic layer deposition method using three kinds of oxidants were investigated by the capacitance-voltage technique, Terman method, and conductance method. We found that O3 and the alternate supply of H2O and O3 (AS-HO) are effective for reducing the interface trap density (D it) at the energy range of 0.15 to 0.30 eV taking from the conduction band minimum. On the other hand, we found that surface potential fluctuation (σs) induced by interface charges for the AS-HO oxidant is much larger than that for a Si MOS capacitor with a SiO2 layer formed by chemical vapor deposition despite the small D it values for the AS-HO oxidant compared with the Si MOS capacitor. This means that the total charged center density including the fixed charge density, charged slow trap density, and charged interface trap density for the GaN MOS capacitor is higher than that for the Si MOS capacitor. Therefore, σs has to be reduced to improve the performances and reliability of GaN devices with the Al2O3/GaN interfaces.

Optical anisotropy of non-common-atom quantum wells and dots: effects of interface symmetry reduction

International Nuclear Information System (INIS)

Toropov, A.A.; Sorokin, S.V.; Shubina, T.V.; Nekrutkina, O.V.; Solnyshkov, D.D.; Ivanov, S.V.; Waag, A.; Landwehr, G.

2003-01-01

We report on the investigations of in-plane optical anisotropy in non-common-atom heterostructures: ZnSe/BeTe perfect quantum wells (QWs) and CdSe/BeTe rough QWs and quantum dots. A noticeable linear polarization of photoluminescence (PL) with respect to the in-plane [1-10] and [110] crystal axes was observed in the ZnSe/BeTe QWs with equivalent ZnTe-type interfaces due to the reduction of QW symmetry, induced by unintentional formation of BeSe chemical bonds at a ''BeTe-ZnSe'' interface. The BeSe bond concentration and, hence, the polarization degree depend on the Te/Be flux ratio during molecular beam epitaxy growth of the samples. Strongly linearly polarized (up to 80%) PL was detected in the CdSe/BeTe structures, evidencing QW-like flat symmetry of the emitting sites of carrier localization. (Abstract Copyright [2003], Wiley Periodicals, Inc.)

Atomic-Resolution Spectrum Imaging of Semiconductor Nanowires.

Science.gov (United States)

Zamani, Reza R; Hage, Fredrik S; Lehmann, Sebastian; Ramasse, Quentin M; Dick, Kimberly A

2018-03-14

Over the past decade, III-V heterostructure nanowires have attracted a surge of attention for their application in novel semiconductor devices such as tunneling field-effect transistors (TFETs). The functionality of such devices critically depends on the specific atomic arrangement at the semiconductor heterointerfaces. However, most of the currently available characterization techniques lack sufficient spatial resolution to provide local information on the atomic structure and composition of these interfaces. Atomic-resolution spectrum imaging by means of electron energy-loss spectroscopy (EELS) in the scanning transmission electron microscope (STEM) is a powerful technique with the potential to resolve structure and chemical composition with sub-angstrom spatial resolution and to provide localized information about the physical properties of the material at the atomic scale. Here, we demonstrate the use of atomic-resolution EELS to understand the interface atomic arrangement in three-dimensional heterostructures in semiconductor nanowires. We observed that the radial interfaces of GaSb-InAs heterostructure nanowires are atomically abrupt, while the axial interface in contrast consists of an interfacial region where intermixing of the two compounds occurs over an extended spatial region. The local atomic configuration affects the band alignment at the interface and, hence, the charge transport properties of devices such as GaSb-InAs nanowire TFETs. STEM-EELS thus represents a very promising technique for understanding nanowire physical properties, such as differing electrical behavior across the radial and axial heterointerfaces of GaSb-InAs nanowires for TFET applications.

Synchrotron radiation in atomic physics

International Nuclear Information System (INIS)

Crasemann, B.

1998-01-01

Much of present understanding of atomic and molecular structure and dynamics was gained through studies of photon-atom interactions. In particular, observations of the emission, absorption, and scattering of X rays have complemented particle-collision experiments in elucidating the physics of atomic inner shells. Grounded on Max von Laue's theoretical insight and the invention of the Bragg spectrometer, the field's potential underwent a step function with the development of synchrotron-radiation sources. Notably current third-generation sources have opened new horizons in atomic and molecular physics by producing radiation of wide tunability and exceedingly high intensity and polarization, narrow energy bandwidth, and sharp time structure. In this review, recent advances in synchrotron-radiation studies in atomic and molecular science are outlined. Some tempting opportunities are surveyed that arise for future studies of atomic processes, including many-body effects, aspects of fundamental photon-atom interactions, and relativistic and quantum-electrodynamic phenomena. (author)

IAEA consultants' meeting on atomic data base and fusion applications interface, Vienna, 9-13 May 1988

International Nuclear Information System (INIS)

Janev, R.K.

1988-09-01

The Summary Report of the IAEA Consultants' Meeting on the ''Atomic Data Base and Fusion Applications Interface'' held at the IAEA Headquarters in Vienna on May 9-13, 1988, is provided. The Report contains a brief review of the meeting proceedings, and the reports of the Working Groups on the A and M dictionary (labelling/indexing system) and on the data storage and exchange system. The conclusions and recommendations of the meeting are also summarized. (author). Figs and tabs

First Principles Simulation of a Ceramic/ Metal Interface with Misfit

International Nuclear Information System (INIS)

Benedek, R.; Alavi, A.; Seidman, D. N.; Yang, L. H.; Muller, D. A.; Woodward, C.

2000-01-01

The relaxed atomic structure of a model ceramic/metal interface, {222}MgO/Cu , is simulated, including lattice constant mismatch, using first principles local-density functional theory plane wave pseudopotential methods. The 399-atom computational unit cell contains 36 O and 49 Cu atoms per layer in accordance with the 7/6 ratio of MgO to Cu lattice constants. The atomic layers on both sides of the interface warp to optimize the local bonding. The interface adhesive energy is calculated. The interface electronic structure is found to vary appreciably with the local environment. (c) 2000 The American Physical Society

Atomic Scale Chemical and Structural Characterization of Ceramic Oxide Heterostructure Interfaces

Energy Technology Data Exchange (ETDEWEB)

Singh, R. K.

2003-04-16

The research plan was divided into three tasks: (a) growth of oxide heterostructures for interface engineering using standard thin film deposition techniques, (b) atomic level characterization of oxide heterostructure using such techniques as STEM-2 combined with AFM/STM and conventional high-resolution microscopy (HRTEM), and (c) property measurements of aspects important to oxide heterostructures using standard characterization methods, including dielectric properties and dynamic cathodoluminescence measurements. Each of these topics were further classified on the basis of type of oxide heterostructure. Type I oxide heterostructures consisted of active dielectric layers, including the materials Ba{sub x}Sr{sub 1-x}TiO{sub 3} (BST), Y{sub 2}O{sub 3} and ZrO{sub 2}. Type II heterostructures consisted of ferroelectric active layers such as lanthanum manganate and Type III heterostructures consist of phosphor oxide active layers such as Eu-doped Y{sub 2}O{sub 3}.

Interfacial sharpness and intermixing in a Ge-SiGe multiple quantum well structure

Science.gov (United States)

Bashir, A.; Gallacher, K.; Millar, R. W.; Paul, D. J.; Ballabio, A.; Frigerio, J.; Isella, G.; Kriegner, D.; Ortolani, M.; Barthel, J.; MacLaren, I.

2018-01-01

A Ge-SiGe multiple quantum well structure created by low energy plasma enhanced chemical vapour deposition, with nominal well thickness of 5.4 nm separated by 3.6 nm SiGe spacers, is analysed quantitatively using scanning transmission electron microscopy. Both high angle annular dark field imaging and electron energy loss spectroscopy show that the interfaces are not completely sharp, suggesting that there is some intermixing of Si and Ge at each interface. Two methods are compared for the quantification of the spectroscopy datasets: a self-consistent approach that calculates binary substitutional trends without requiring experimental or computational k-factors from elsewhere and a standards-based cross sectional calculation. Whilst the cross section approach is shown to be ultimately more reliable, the self-consistent approach provides surprisingly good results. It is found that the Ge quantum wells are actually about 95% Ge and that the spacers, whilst apparently peaking at about 35% Si, contain significant interdiffused Ge at each side. This result is shown to be not just an artefact of electron beam spreading in the sample, but mostly arising from a real chemical interdiffusion resulting from the growth. Similar results are found by use of X-ray diffraction from a similar area of the sample. Putting the results together suggests a real interdiffusion with a standard deviation of about 0.87 nm, or put another way—a true width defined from 10%-90% of the compositional gradient of about 2.9 nm. This suggests an intrinsic limit on how sharp such interfaces can be grown by this method and, whilst 95% Ge quantum wells (QWs) still behave well enough to have good properties, any attempt to grow thinner QWs would require modifications to the growth procedure to reduce this interdiffusion, in order to maintain a composition of ≥95% Ge.

Atomic state and characterization of nitrogen at the SiC/SiO2 interface

International Nuclear Information System (INIS)

Xu, Y.; Garfunkel, E. L.; Zhu, X.; Lee, H. D.; Xu, C.; Shubeita, S. M.; Gustafsson, T.; Ahyi, A. C.; Sharma, Y.; Williams, J. R.; Lu, W.; Ceesay, S.; Tuttle, B. R.; Pantelides, S. T.; Wan, A.; Feldman, L. C.

2014-01-01

We report on the concentration, chemical bonding, and etching behavior of N at the SiC(0001)/SiO 2 interface using photoemission, ion scattering, and computational modeling. For standard NO processing of a SiC MOSFET, a sub-monolayer of nitrogen is found in a thin inter-layer between the substrate and the gate oxide (SiO 2 ). Photoemission shows one main nitrogen related core-level peak with two broad, higher energy satellites. Comparison to theory indicates that the main peak is assigned to nitrogen bound with three silicon neighbors, with second nearest neighbors including carbon, nitrogen, and oxygen atoms. Surprisingly, N remains at the surface after the oxide was completely etched by a buffered HF solution. This is in striking contrast to the behavior of Si(100) undergoing the same etching process. We conclude that N is bound directly to the substrate SiC, or incorporated within the first layers of SiC, as opposed to bonding within the oxide network. These observations provide insights into the chemistry and function of N as an interface passivating additive in SiC MOSFETs

Careful stoichiometry monitoring and doping control during the tunneling interface growth of an n + InAs(Si)/p + GaSb(Si) Esaki diode

Science.gov (United States)

El Kazzi, S.; Alian, A.; Hsu, B.; Verhulst, A. S.; Walke, A.; Favia, P.; Douhard, B.; Lu, W.; del Alamo, J. A.; Collaert, N.; Merckling, C.

2018-02-01

In this work, we report on the growth of pseudomorphic and highly doped InAs(Si)/GaSb(Si) heterostructures on p-type (0 0 1)-oriented GaSb substrate and the fabrication and characterization of n+/p+ Esaki tunneling diodes. We particularly study the influence of the Molecular Beam Epitaxy shutter sequences on the structural and electrical characteristics of InAs(Si)/GaSb(Si) Esaki diodes structures. We use real time Reflection High Electron Diffraction analysis to monitor different interface stoichiometry at the tunneling interface. With Atomic Force Microscopy, X-ray diffraction and Transmission Electron Microscopy analyses, we demonstrate that an "InSb-like" interface leads to a sharp and defect-free interface exhibiting high quality InAs(Si) crystal growth contrary to the "GaAs-like" one. We then prove by means of Secondary Ion Mass Spectroscopy profiles that Si-diffusion at the interface allows the growth of highly Si-doped InAs/GaSb diodes without any III-V material deterioration. Finally, simulations are conducted to explain our electrical results where a high Band to Band Tunneling (BTBT) peak current density of Jp = 8 mA/μm2 is achieved.

Atomic density effects on temperature characteristics and thermal transport at grain boundaries through a proper bin size selection

Energy Technology Data Exchange (ETDEWEB)

Vo, Truong Quoc; Kim, BoHung, E-mail: muratbarisik@iyte.edu.tr, E-mail: bohungk@ulsan.ac.kr [School of Mechanical Engineering, University of Ulsan, Daehak-ro 93, Namgu, Ulsan 680-749 (Korea, Republic of); Barisik, Murat, E-mail: muratbarisik@iyte.edu.tr, E-mail: bohungk@ulsan.ac.kr [Department of Mechanical Engineering, Izmir Institute of Technology, Urla, Izmir 35430 (Turkey)

2016-05-21

This study focuses on the proper characterization of temperature profiles across grain boundaries (GBs) in order to calculate the correct interfacial thermal resistance (ITR) and reveal the influence of GB geometries onto thermal transport. The solid-solid interfaces resulting from the orientation difference between the (001), (011), and (111) copper surfaces were investigated. Temperature discontinuities were observed at the boundary of grains due to the phonon mismatch, phonon backscattering, and atomic forces between dissimilar structures at the GBs. We observed that the temperature decreases gradually in the GB area rather than a sharp drop at the interface. As a result, three distinct temperature gradients developed at the GB which were different than the one observed in the bulk solid. This behavior extends a couple molecular diameters into both sides of the interface where we defined a thickness at GB based on the measured temperature profiles for characterization. Results showed dependence on the selection of the bin size used to average the temperature data from the molecular dynamics system. The bin size on the order of the crystal layer spacing was found to present an accurate temperature profile through the GB. We further calculated the GB thickness of various cases by using potential energy (PE) distributions which showed agreement with direct measurements from the temperature profile and validated the proper binning. The variation of grain crystal orientation developed different molecular densities which were characterized by the average atomic surface density (ASD) definition. Our results revealed that the ASD is the primary factor affecting the structural disorders and heat transfer at the solid-solid interfaces. Using a system in which the planes are highly close-packed can enhance the probability of interactions and the degree of overlap between vibrational density of states (VDOS) of atoms forming at interfaces, leading to a reduced ITR. Thus, an

Structure and stability of semiconductor tip apexes for atomic force microscopy

International Nuclear Information System (INIS)

Pou, P; Perez, R; Ghasemi, S A; Goedecker, S; Jelinek, P; Lenosky, T

2009-01-01

The short range force between the tip and the surface atoms, that is responsible for atomic-scale contrast in atomic force microscopy (AFM), is mainly controlled by the tip apex. Thus, the ability to image, manipulate and chemically identify single atoms in semiconductor surfaces is ultimately determined by the apex structure and its composition. Here we present a detailed and systematic study of the most common structures that can be expected at the apex of the Si tips used in experiments. We tackle the determination of the structure and stability of Si tips with three different approaches: (i) first principles simulations of small tip apexes; (ii) simulated annealing of a Si cluster; and (iii) a minima hopping study of large Si tips. We have probed the tip apexes by making atomic contacts between the tips and then compared force-distance curves with the experimental short range forces obtained with dynamic force spectroscopy. The main conclusion is that although there are multiple stable solutions for the atomically sharp tip apexes, they can be grouped into a few types with characteristic atomic structures and properties. We also show that the structure of the last atomic layers in a tip apex can be both crystalline and amorphous. We corroborate that the atomically sharp tips are thermodynamically stable and that the tip-surface interaction helps to produce the atomic protrusion needed to get atomic resolution.

A note on trader Sharpe Ratios.

Science.gov (United States)

Coates, John M; Page, Lionel

2009-11-25

Traders in the financial world are assessed by the amount of money they make and, increasingly, by the amount of money they make per unit of risk taken, a measure known as the Sharpe Ratio. Little is known about the average Sharpe Ratio among traders, but the Efficient Market Hypothesis suggests that traders, like asset managers, should not outperform the broad market. Here we report the findings of a study conducted in the City of London which shows that a population of experienced traders attain Sharpe Ratios significantly higher than the broad market. To explain this anomaly we examine a surrogate marker of prenatal androgen exposure, the second-to-fourth finger length ratio (2D:4D), which has previously been identified as predicting a trader's long term profitability. We find that it predicts the amount of risk taken by traders but not their Sharpe Ratios. We do, however, find that the traders' Sharpe Ratios increase markedly with the number of years they have traded, a result suggesting that learning plays a role in increasing the returns of traders. Our findings present anomalous data for the Efficient Markets Hypothesis.

A note on trader Sharpe Ratios.

Directory of Open Access Journals (Sweden)

John M Coates

Full Text Available Traders in the financial world are assessed by the amount of money they make and, increasingly, by the amount of money they make per unit of risk taken, a measure known as the Sharpe Ratio. Little is known about the average Sharpe Ratio among traders, but the Efficient Market Hypothesis suggests that traders, like asset managers, should not outperform the broad market. Here we report the findings of a study conducted in the City of London which shows that a population of experienced traders attain Sharpe Ratios significantly higher than the broad market. To explain this anomaly we examine a surrogate marker of prenatal androgen exposure, the second-to-fourth finger length ratio (2D:4D, which has previously been identified as predicting a trader's long term profitability. We find that it predicts the amount of risk taken by traders but not their Sharpe Ratios. We do, however, find that the traders' Sharpe Ratios increase markedly with the number of years they have traded, a result suggesting that learning plays a role in increasing the returns of traders. Our findings present anomalous data for the Efficient Markets Hypothesis.

Simulations of atomic-scale sliding friction

DEFF Research Database (Denmark)

Sørensen, Mads Reinholdt; Jacobsen, Karsten Wedel; Stoltze, Per

1996-01-01

Simulation studies of atomic-scale sliding friction have been performed for a number of tip-surface and surface-surface contacts consisting of copper atoms. Both geometrically very simple tip-surface structures and more realistic interface necks formed by simulated annealing have been studied....... Kinetic friction is observed to be caused by atomic-scale Stick and slip which occurs by nucleation and subsequent motion of dislocations preferably between close-packed {111} planes. Stick and slip seems ro occur in different situations. For single crystalline contacts without grain boundaries...... pinning of atoms near the boundary of the interface and is therefore more easily observed for smaller contacts. Depending on crystal orientation and load, frictional wear can also be seen in the simulations. In particular, for the annealed interface-necks which model contacts created by scanning tunneling...

Structure and properties of interfaces in ceramics

International Nuclear Information System (INIS)

Bonnell, D.; Ruehle, M.; Chowdhry, U.

1995-01-01

The motivation for the symposium was the observation that interfaces in crystallographically and compositionally complex systems often dictate the performance and reliability of devices that utilize functional ceramics. The current level of understanding of interface-property relations in silicon-based devices required over 30 years of intensive research. Similar issues influence the relationship between atomic bonding at interfaces and properties in functional ceramic systems. The current understanding of these complex interfaces does not allow correlation between atomic structure and interface properties, in spite of their importance to a number of emerging technologies (wireless communications, radar-based positioning systems, sensors, etc.). The objective of this symposium was to focus attention on these fundamental issues by featuring recent theoretical and experimental work from various disciplines that impact the understanding of interface chemistry, structure, and properties. The emphasis was on relating properties of surfaces and interfaces to structure through an understanding of atomic level phenomena. Interfaces of interest include metal/ceramic, ceramic/ceramic, ceramic/vapor, etc., in electronic, magnetic, optical, ferroelectric, piezoelectric, and dielectric applications. Sixty one papers have been processed separately for inclusion on the data base

Interfaces in Si/Ge atomic layer superlattices on (001)Si: Effect of growth temperature and wafer misorientation

Science.gov (United States)

Baribeau, J.-M.; Lockwood, D. J.; Syme, R. W. G.

1996-08-01

We have used x-ray diffraction, specular reflectivity, and diffuse scattering, complemented by Raman spectroscopy, to study the interfaces in a series of (0.5 nm Ge/2 nm Si)50 atomic layer superlattices on (001)Si grown by molecular beam epitaxy in the temperature range 150-650 °C. X-ray specular reflectivity revealed that the structures have a well-defined periodicity with interface widths of about 0.2-0.3 nm in the 300-590 °C temperature range. Offset reflectivity scans showed that the diffuse scattering peaks at values of perpendicular wave vector transfer corresponding to the superlattice satellite peaks, indicating that the interfaces are vertically correlated. Transverse rocking scans of satellite peaks showed a diffuse component corresponding to an interface corrugation of typical length scale of ˜0.5 μm. The wavelength of the undulations is a minimum along the miscut direction and is typically 30-40 times larger than the surface average terrace width assuming monolayer steps, independently of the magnitude of the wafer misorientation. The amplitude of the undulation evolves with growth temperature and is minimum for growth at ˜460 °C and peaks at ˜520 °C. Raman scattering showed the chemical abruptness of the interfaces at low growth temperatures and indicated a change in the growth mode near 450 °C.

Optical anisotropy of non-common-atom quantum wells and dots: effects of interface symmetry reduction

Energy Technology Data Exchange (ETDEWEB)

Toropov, A.A.; Sorokin, S.V.; Shubina, T.V.; Nekrutkina, O.V.; Solnyshkov, D.D.; Ivanov, S.V. [Ioffe Physico-Technical Institute of RAS, St. Petersburg 194021 (Russian Federation); Waag, A. [Abteilung Halbleiterphysik, Universitaet Ulm, 89081 Ulm (Germany); Landwehr, G. [Physikalisches Institut der Universitaet Wuerzburg, D-97074 Wuerzburg (Germany)

2003-02-01

We report on the investigations of in-plane optical anisotropy in non-common-atom heterostructures: ZnSe/BeTe perfect quantum wells (QWs) and CdSe/BeTe rough QWs and quantum dots. A noticeable linear polarization of photoluminescence (PL) with respect to the in-plane [1-10] and [110] crystal axes was observed in the ZnSe/BeTe QWs with equivalent ZnTe-type interfaces due to the reduction of QW symmetry, induced by unintentional formation of BeSe chemical bonds at a ''BeTe-ZnSe'' interface. The BeSe bond concentration and, hence, the polarization degree depend on the Te/Be flux ratio during molecular beam epitaxy growth of the samples. Strongly linearly polarized (up to 80%) PL was detected in the CdSe/BeTe structures, evidencing QW-like flat symmetry of the emitting sites of carrier localization. (Abstract Copyright [2003], Wiley Periodicals, Inc.)

Normal-superfluid interface for polarized fermion gases

NARCIS (Netherlands)

Van Schaeybroeck, B.; Lazarides, A.

2009-01-01

Recent experiments on imbalanced fermion gases have proved the existence of a sharp interface between a superfluid and a normal phase. We show that, at the lowest experimental temperatures, a temperature difference between normal N and superfluid SF phases can appear as a consequence of the blocking

Assessment of sharps waste management practices in a referral ...

African Journals Online (AJOL)

hospital (40.8 kg/day) was higher than values reported in district hospitals, but the sharps waste ... Key words: Sharps waste, sharps waste container, overfilled safety box, sharps waste proportion, .... requirements and availability of technology.

Atomic physics with the scanning tunneling microscope

International Nuclear Information System (INIS)

Kleber, M.; Bracher, C.; Riza, M.

1999-01-01

Backscattering of atomic beams above a given surface yields information similar to the one obtained from scanning the same surface with a scanning tunneling microscope (STM): In both cases the experimentally accessible quantity is the local density of states (LDOS) n(r,E) of the surface. For the case of backscattering, the LDOS at the turning point of the atom is an important ingredient of the potential between atom and surface. In experiments performed with an STM, the LDOS at the apex of an atomically sharp tip can be determined directly. Probing surfaces locally by an STM allows for the study of basic phenomena in atomic physics, with tunneling of electrons in three dimensions being a central issue

Hydrogen release at metal-oxide interfaces: A first principle study of hydrogenated Al/SiO{sub 2} interfaces

Energy Technology Data Exchange (ETDEWEB)

Huang, Jianqiu, E-mail: jianqiu@vt.edu [Department of Mechanical Engineering, Virginia Tech, Goodwin Hall, 635 Prices Fork Road - MC 0238, Blacksburg, VA 24061 (United States); Tea, Eric; Li, Guanchen [Department of Mechanical Engineering, Virginia Tech, Goodwin Hall, 635 Prices Fork Road - MC 0238, Blacksburg, VA 24061 (United States); Hin, Celine [Department of Mechanical Engineering, Virginia Tech, Goodwin Hall, 635 Prices Fork Road - MC 0238, Blacksburg, VA 24061 (United States); Department of Material Science and Engineering, Virginia Tech, Goodwin Hall, 635 Prices Fork Road-MC 0238, Blacksburg, VA 24061 (United States)

2017-06-01

Highlights: • Hydrogen release process at the Al/SiO{sub 2} metal-oxide interface has been investigated. • A mathematical model that estimates the hydrogen release potential has been proposed. • Al atoms, Al−O bonds, and Si−Al bonds are the major hydrogen traps at the Al/SiO{sub 2} interface. • Hydrogen atoms are primarily release from Al−H and O−H bonds at the Al/SiO{sub 2} metal-oxide interface. - Abstract: The Anode Hydrogen Release (AHR) mechanism at interfaces is responsible for the generation of defects, that traps charge carriers and can induce dielectric breakdown in Metal-Oxide-Semiconductor Field Effect Transistors. The AHR has been extensively studied at Si/SiO{sub 2} interfaces but its characteristics at metal-silica interfaces remain unclear. In this study, we performed Density Functional Theory (DFT) calculations to study the hydrogen release mechanism at the typical Al/SiO{sub 2} metal-oxide interface. We found that interstitial hydrogen atoms can break interfacial Al−Si bonds, passivating a Si sp{sup 3} orbital. Interstitial hydrogen atoms can also break interfacial Al−O bonds, or be adsorbed at the interface on aluminum, forming stable Al−H−Al bridges. We showed that hydrogenated O−H, Si−H and Al−H bonds at the Al/SiO{sub 2} interfaces are polarized. The resulting bond dipole weakens the O−H and Si−H bonds, but strengthens the Al−H bond under the application of a positive bias at the metal gate. Our calculations indicate that Al−H bonds and O−H bonds are more important than Si−H bonds for the hydrogen release process.

In situ surface X-ray diffraction studies of the copper-electrolyte interface. Atomic structure and homoepitaxial grwoth

Energy Technology Data Exchange (ETDEWEB)

Golks, Frederik

2011-05-19

Copper electrodeposition is the predominantly used technique for on-chip wiring in the fabrication of ultra-large scale integrated (ULSI) microchips. In this 'damascene copper electroplating' process, multicomponent electrolytes containing organic additives realize void-free filling of trenches with high aspect ratio ('superconformal deposition'). Despite manifold studies, motivated by the continuous trend to shrink wiring dimensions and thus the demand of optimized plating baths, detailed knowledge on the growth mechanism - in presence and absence of additives - is still lacking. Using a recently developed hanging meniscus X-ray transmission cell, brilliant synchrotron x-rays and a fast, one-dimensional detector system, unique real-time in situ surface X-ray diffraction studies of copper electrodeposition were performed under realistic reaction conditions, approaching rates of technological relevance. Preparatory measurements of the electrochemical dissolution of Au(001) in chloride-containing electrolyte demonstrated the capability of this powerful technique, specifically the possibility to follow atomic-scale deposition or dissolution processes with a time resolution down to five milliseconds. The electrochemical as well as structural characterization of the Cu(001)- and Cu(111)-electrolyte interfaces provided detailed insight into the complex atomic-scale structures in presence of specifically adsorbed chloride on these surfaces. The interface of Cu(001) in chloride-containing electrolyte exhibits a continuous surface phase transition of a disordered Cl adlayer to a c(2 x 2) Cl adlayer with increasing potential. The latter was found to induce a small vertical corrugation of substrate atoms, which can be ascribed to lattice relaxations induced by the presence of coadsorbed water molecules and cations in the outer part of the electrochemical double layer. The study of the specific adsorption of chloride on Cu(111) from acidic aqueous

In situ surface X-ray diffraction studies of the copper-electrolyte interface. Atomic structure and homoepitaxial grwoth

Energy Technology Data Exchange (ETDEWEB)

Golks, Frederik

2011-05-19

Copper electrodeposition is the predominantly used technique for on-chip wiring in the fabrication of ultra-large scale integrated (ULSI) microchips. In this 'damascene copper electroplating' process, multicomponent electrolytes containing organic additives realize void-free filling of trenches with high aspect ratio ('superconformal deposition'). Despite manifold studies, motivated by the continuous trend to shrink wiring dimensions and thus the demand of optimized plating baths, detailed knowledge on the growth mechanism - in presence and absence of additives - is still lacking. Using a recently developed hanging meniscus X-ray transmission cell, brilliant synchrotron x-rays and a fast, one-dimensional detector system, unique real-time in situ surface X-ray diffraction studies of copper electrodeposition were performed under realistic reaction conditions, approaching rates of technological relevance. Preparatory measurements of the electrochemical dissolution of Au(001) in chloride-containing electrolyte demonstrated the capability of this powerful technique, specifically the possibility to follow atomic-scale deposition or dissolution processes with a time resolution down to five milliseconds. The electrochemical as well as structural characterization of the Cu(001)- and Cu(111)-electrolyte interfaces provided detailed insight into the complex atomic-scale structures in presence of specifically adsorbed chloride on these surfaces. The interface of Cu(001) in chloride-containing electrolyte exhibits a continuous surface phase transition of a disordered Cl adlayer to a c(2 x 2) Cl adlayer with increasing potential. The latter was found to induce a small vertical corrugation of substrate atoms, which can be ascribed to lattice relaxations induced by the presence of coadsorbed water molecules and cations in the outer part of the electrochemical double layer. The study of the specific adsorption of chloride on Cu(111) from acidic aqueous electrolyte revealed a

Multiscale molecular dynamics using the matched interface and boundary method

International Nuclear Information System (INIS)

Geng Weihua; Wei, G.W.

2011-01-01

The Poisson-Boltzmann (PB) equation is an established multiscale model for electrostatic analysis of biomolecules and other dielectric systems. PB based molecular dynamics (MD) approach has a potential to tackle large biological systems. Obstacles that hinder the current development of PB based MD methods are concerns in accuracy, stability, efficiency and reliability. The presence of complex solvent-solute interface, geometric singularities and charge singularities leads to challenges in the numerical solution of the PB equation and electrostatic force evaluation in PB based MD methods. Recently, the matched interface and boundary (MIB) method has been utilized to develop the first second order accurate PB solver that is numerically stable in dealing with discontinuous dielectric coefficients, complex geometric singularities and singular source charges. The present work develops the PB based MD approach using the MIB method. New formulation of electrostatic forces is derived to allow the use of sharp molecular surfaces. Accurate reaction field forces are obtained by directly differentiating the electrostatic potential. Dielectric boundary forces are evaluated at the solvent-solute interface using an accurate Cartesian-grid surface integration method. The electrostatic forces located at reentrant surfaces are appropriately assigned to related atoms. Extensive numerical tests are carried out to validate the accuracy and stability of the present electrostatic force calculation. The new PB based MD method is implemented in conjunction with the AMBER package. MIB based MD simulations of biomolecules are demonstrated via a few example systems.

Quantitative interface models for simulating microstructure evolution

International Nuclear Information System (INIS)

Zhu, J.Z.; Wang, T.; Zhou, S.H.; Liu, Z.K.; Chen, L.Q.

2004-01-01

To quantitatively simulate microstructural evolution in real systems, we investigated three different interface models: a sharp-interface model implemented by the software DICTRA and two diffuse-interface models which use either physical order parameters or artificial order parameters. A particular example is considered, the diffusion-controlled growth of a γ ' precipitate in a supersaturated γ matrix in Ni-Al binary alloys. All three models use the thermodynamic and kinetic parameters from the same databases. The temporal evolution profiles of composition from different models are shown to agree with each other. The focus is on examining the advantages and disadvantages of each model as applied to microstructure evolution in alloys

Strain induced atomic structure at the Ir-doped LaAlO3/SrTiO3 interface.

Science.gov (United States)

Lee, M; Arras, R; Warot-Fonrose, B; Hungria, T; Lippmaa, M; Daimon, H; Casanove, M J

2017-11-01

The structure of Ir-doped LaAlO 3 /SrTiO 3 (001) interfaces was investigated on the atomic scale using probe-corrected transmission electron microscopy in high-angle annular dark-field scanning mode (HAADF-STEM) and electron energy loss spectroscopy (EELS), combined with first-principles calculations. We report the evolution of the strain state experimentally measured in a 5 unit-cell thick LaAlO 3 film as a function of the Ir concentration in the topmost SrTiO 3 layer. It is shown that the LaAlO 3 layers remain fully elastically strained up to 3% of Ir doping, whereas a higher doping level seems to promote strain relaxation through enhanced cationic interdiffusion. The observed differences between the energy loss near edge structure (ELNES) of Ti-L 2,3 and O-K edges at non-doped and Ir-doped interfaces are consistent with the location of the Ir dopants at the interface, up to 3% of Ir doping. These findings, supported by the results of density functional theory (DFT) calculations, provide strong evidence that the effect of dopant concentrations on the properties of this kind of interface should not be analyzed without obtaining essential information from the fine structural and chemical analysis of the grown structures.

Interface-engineered oxygen octahedral coupling in manganite heterostructures

Science.gov (United States)

Huijben, M.; Koster, G.; Liao, Z. L.; Rijnders, G.

2017-12-01

Control of the oxygen octahedral coupling (OOC) provides a large degree of freedom to manipulate physical phenomena in complex oxide heterostructures. Recently, local tuning of the tilt angle has been found to control the magnetic anisotropy in ultrathin films of manganites and ruthenates, while symmetry control can manipulate the metal insulator transition in nickelate thin films. The required connectivity of the octahedra across the heterostructure interface enforces a geometric constraint to the 3-dimensional octahedral network in epitaxial films. Such geometric constraint will either change the tilt angle to retain the connectivity of the corner shared oxygen octahedral network or guide the formation of a specific symmetry throughout the epitaxial film. Here, we will discuss the control of OOC in manganite heterostructures by interface-engineering. OOC driven magnetic and transport anisotropies have been realized in LSMO/NGO heterostructures. Competition between the interfacial OOC and the strain further away from the interface leads to a thickness driven sharp transition of the anisotropic properties. Furthermore, octahedral relaxation leading to a change of p-d hybridization driven by interfacial OOC appears to be the strongest factor in thickness related variations of magnetic and transport properties in epitaxial LSMO films on NGO substrates. The results unequivocally link the atomic structure near the interfaces to the macroscopic properties. The strong correlation between a controllable oxygen network and the functionalities will have significant impact on both fundamental research and technological application of correlated perovskite heterostructures. By controlling the interfacial OOC, it is possible to pattern in 3 dimensions the magnetization to achieve non-collinear magnetization in both in-plane and out of plane directions, thus making the heterostructures promising for application in orthogonal spin transfer devices, spin oscillators, and low

XPS quantification of the hetero-junction interface energy

International Nuclear Information System (INIS)

Ma, Z.S.; Wang Yan; Huang, Y.L.; Zhou, Z.F.; Zhou, Y.C.; Zheng Weitao; Sun, Chang Q.

2013-01-01

Highlights: ► Quantum entrapment or polarization dictates the performance of dopant, impurity, interface, alloy and compounds. ► Interface bond energy, energy density, and atomic cohesive energy can be determined using XPS and our BOLS theory. ► Presents a new and reliable method for catalyst design and identification. ► Entrapment makes CuPd to be a p-type catalyst and polarization derives AgPd as an n-type catalyst. - Abstract: We present an approach for quantifying the heterogeneous interface bond energy using X-ray photoelectron spectroscopy (XPS). Firstly, from analyzing the XPS core-level shift of the elemental surfaces we obtained the energy levels of an isolated atom and their bulk shifts of the constituent elements for reference; then we measured the energy shifts of the specific energy levels upon interface alloy formation. Subtracting the referential spectrum from that collected from the alloy, we can distil the interface effect on the binding energy. Calibrated based on the energy levels and their bulk shifts derived from elemental surfaces, we can derive the bond energy, energy density, atomic cohesive energy, and free energy at the interface region. This approach has enabled us to clarify the dominance of quantum entrapment at CuPd interface and the dominance of polarization at AgPd and BeW interfaces, as the origin of interface energy change. Developed approach not only enhances the power of XPS but also enables the quantification of the interface energy at the atomic scale that has been an issue of long challenge.

3-Dimensional atomic scale structure of the ionic liquid-graphite interface elucidated by AM-AFM and quantum chemical simulations

Science.gov (United States)

Page, Alister J.; Elbourne, Aaron; Stefanovic, Ryan; Addicoat, Matthew A.; Warr, Gregory G.; Voïtchovsky, Kislon; Atkin, Rob

2014-06-01

In situ amplitude modulated atomic force microscopy (AM-AFM) and quantum chemical simulations are used to resolve the structure of the highly ordered pyrolytic graphite (HOPG)-bulk propylammonium nitrate (PAN) interface with resolution comparable with that achieved for frozen ionic liquid (IL) monolayers using STM. This is the first time that (a) molecular resolution images of bulk IL-solid interfaces have been achieved, (b) the lateral structure of the IL graphite interface has been imaged for any IL, (c) AM-AFM has elucidated molecular level structure immersed in a viscous liquid and (d) it has been demonstrated that the IL structure at solid surfaces is a consequence of both thermodynamic and kinetic effects. The lateral structure of the PAN-graphite interface is highly ordered and consists of remarkably well-defined domains of a rhomboidal superstructure composed of propylammonium cations preferentially aligned along two of the three directions in the underlying graphite lattice. The nanostructure is primarily determined by the cation. Van der Waals interactions between the propylammonium chains and the surface mean that the cation is enriched in the surface layer, and is much less mobile than the anion. The presence of a heterogeneous lateral structure at an ionic liquid-solid interface has wide ranging ramifications for ionic liquid applications, including lubrication, capacitive charge storage and electrodeposition.In situ amplitude modulated atomic force microscopy (AM-AFM) and quantum chemical simulations are used to resolve the structure of the highly ordered pyrolytic graphite (HOPG)-bulk propylammonium nitrate (PAN) interface with resolution comparable with that achieved for frozen ionic liquid (IL) monolayers using STM. This is the first time that (a) molecular resolution images of bulk IL-solid interfaces have been achieved, (b) the lateral structure of the IL graphite interface has been imaged for any IL, (c) AM-AFM has elucidated molecular level

Experimental study of an isochorically heated heterogeneous interface. A progress report

Energy Technology Data Exchange (ETDEWEB)

Fernandez, Juan Carlos [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2015-08-20

Outline of the presentation: Studying possible mix / interface motion between heterogeneous low/high Z interfaces driven by 2-fluid or kinetic plasma effects (Heated to few eV, Sharp (sub µm) interface); Isochoric heating to initialize interface done with Al quasimonoenergetic ion beams on Trident; Have measured isochoric heating in individual materials intended for compound targets; Fielded experiments on Trident to measure interface motion (Gold-diamond, tin-aluminium); Measured heated-sample temperature with streaked optical pyrometry (SOP) (UT Austin led (research contract), SOP tests → heating uniformity Vs thickness on Al foils. Results are being analyzed.

Sharp spatially constrained inversion

DEFF Research Database (Denmark)

Vignoli, Giulio G.; Fiandaca, Gianluca G.; Christiansen, Anders Vest C A.V.C.

2013-01-01

We present sharp reconstruction of multi-layer models using a spatially constrained inversion with minimum gradient support regularization. In particular, its application to airborne electromagnetic data is discussed. Airborne surveys produce extremely large datasets, traditionally inverted...... by using smoothly varying 1D models. Smoothness is a result of the regularization constraints applied to address the inversion ill-posedness. The standard Occam-type regularized multi-layer inversion produces results where boundaries between layers are smeared. The sharp regularization overcomes...... inversions are compared against classical smooth results and available boreholes. With the focusing approach, the obtained blocky results agree with the underlying geology and allow for easier interpretation by the end-user....

Sharps injury reduction using a sharps container with enhanced engineering: a 28 hospital nonrandomized intervention and cohort study.

Science.gov (United States)

Grimmond, Terry; Bylund, Suzann; Anglea, Candace; Beeke, Lou; Callahan, Angela; Christiansen, Erik; Flewelling, Kelly; McIntosh, Kathleen; Richter, Kay; Vitale, Monica

2010-12-01

The decrease in reported sharps injuries (SI) in the United States has markedly slowed. Additional devices and strategies need investigation. Sharps containers are associated with SI, and more than 90% of these injuries are related to container design. This study addresses the hypothesis that containers with enhanced engineering can reduce SI. In a before/after intervention study from 2006 to 2008, we examined the impact of conversion to a sharps container with enhanced engineering (the Device) on SI categories in 14 Ascension Health hospitals (study group). The Device's safety features included large horizontal aperture, sensitive counterbalanced door, large atrium, and passive overfill prevention. Study group results were also compared with a control cohort of 14 contemporaneous size-matched, Ascension Health hospitals (control group). The Device was associated with significant reductions in after-procedure (-30%), disposal-related (-57%), and container-associated (-81%) SI in the study group. No significant reductions occurred in container-associated sharps injuries in the control group. Hospitals using the Device had significantly fewer total SI than control hospitals. Enhanced aperture design can significantly reduce container-associated sharps injuries. Other factors contributing to reduced injuries may include 1-hand deposit, safe closure, hand restriction, and preassembly. These results, from a country where sharps safety devices are widespread, are particularly applicable to countries where safety devices are not extensively used. Copyright © 2010 Association for Professionals in Infection Control and Epidemiology, Inc. Published by Mosby, Inc. All rights reserved.

Epitaxial TiO 2/SnO 2 core-shell heterostructure by atomic layer deposition

KAUST Repository

Nie, Anmin

2012-01-01

Taking TiO 2/SnO 2 core-shell nanowires (NWs) as a model system, we systematically investigate the structure and the morphological evolution of this heterostructure synthesized by atomic layer deposition/epitaxy (ALD/ALE). All characterizations, by X-ray diffraction, high-resolution transmission electron microscopy, selected area electron diffraction and Raman spectra, reveal that single crystalline rutile TiO 2 shells can be epitaxially grown on SnO 2 NWs with an atomically sharp interface at low temperature (250 °C). The growth behavior of the TiO 2 shells highly depends on the surface orientations and the geometrical shape of the core SnO 2 NW cross-section. Atomically smooth surfaces are found for growth on the {110} surface. Rough surfaces develop on {100} surfaces due to (100) - (1 × 3) reconstruction, by introducing steps in the [010] direction as a continuation of {110} facets. Lattice mismatch induces superlattice structures in the TiO 2 shell and misfit dislocations along the interface. Conformal epitaxial growth has been observed for SnO 2 NW cores with an octagonal cross-section ({100} and {110} surfaces). However, for a rectangular core ({101} and {010} surfaces), the shell also derives an octagonal shape from the epitaxial growth, which was explained by a proposed model based on ALD kinetics. The surface steps and defects induced by the lattice mismatch likely lead to improved photoluminescence (PL) performance for the yellow emission. Compared to the pure SnO 2 NWs, the PL spectrum of the core-shell nanostructures exhibits a stronger emission peak, which suggests potential applications in optoelectronics. © The Royal Society of Chemistry 2012.

Micro and nanostructural characterization of surfaces and interfaces of Portland cement mortars using atomic force microscopy

International Nuclear Information System (INIS)

Barreto, M.F.O.; Brandao, P.R.G.

2014-01-01

The characterization of Portland cement mortars is very important in the study the interfaces and surfaces that make up the system grout/ceramic block. In this sense, scanning electron microscopy and energy-dispersive (X-ray) spectrometer are important tools in investigating the morphology and chemical aspects. However, more detailed topographic information can be necessary in the characterization process. In this work, the aim was to characterize topographically surfaces and interfaces of mortars applied onto ceramic blocks. This has been accomplished by using the atomic force microscope (AFM) - MFP-3D-SA Asylum Research. To date, the results obtained from this research show that the characterization of cementitious materials with the help of AFM has an important contribution in the investigation and differentiation of hydrated calcium silicates (CSH), calcium hydroxide (Ca(OH)2, ettringite and calcium carbonate by providing morphological and micro topographical data, which are extremely important and reliable for the understanding of cementitious materials. (author)

Acoustic streaming of a sharp edge.

Science.gov (United States)

Ovchinnikov, Mikhail; Zhou, Jianbo; Yalamanchili, Satish

2014-07-01

Anomalous acoustic streaming is observed emanating from sharp edges of solid bodies that are vibrating in fluids. The streaming velocities can be orders of magnitude higher than expected from the Rayleigh streaming at similar amplitudes of vibration. Acoustic velocity of fluid relative to a solid body diverges at a sharp edge, giving rise to a localized time-independent body force acting on the fluid. This force results in a formation of a localized jet. Two-dimensional numerical simulations are performed to predict acoustic streaming for low amplitude vibration using two methods: (1) Steady-state solution utilizing perturbation theory and (2) direct transient solution of the Navier-Stokes equations. Both analyses agree with each other and correctly predict the streaming of a sharp-edged vibrating blade measured experimentally. The origin of the streaming can be attributed to the centrifugal force of the acoustic fluid flow around a sharp edge. The dependence of this acoustic streaming on frequency and velocity is examined using dimensional analysis. The dependence law is devised and confirmed by numerical simulations.

77 FR 56647 - Lisa Jean Sharp: Debarment Order

Science.gov (United States)

2012-09-13

... Act (the FD&C Act) permanently debarring Lisa Jean Sharp from providing services in any capacity to a...&C Act. Ms. Sharp was given notice of the proposed permanent debarment and an opportunity to request... drug product under the FD&C Act. The factual basis for this conviction is as follows: Ms. Sharp was the...

Three-dimensional atomic mapping of hydrogenated polymorphous silicon solar cells

Energy Technology Data Exchange (ETDEWEB)

Chen, Wanghua, E-mail: wanghua.chen@polytechnique.edu; Roca i Cabarrocas, Pere [LPICM, CNRS, Ecole Polytechnique, Université Paris-Saclay, 91128 Palaiseau (France); Pareige, Philippe [GPM, CNRS, Université et INSA de Rouen, Normandie Université, 76801 Saint Etienne du Rouvray (France)

2016-06-20

Hydrogenated polymorphous silicon (pm-Si:H) is a nanostructured material consisting of silicon nanocrystals embedded in an amorphous silicon matrix. Its use as the intrinsic layer in thin film p-i-n solar cells has led to good cell properties in terms of stability and efficiency. Here, we have been able to assess directly the concentration and distribution of nanocrystals and impurities (dopants) in p-i-n solar cells, by using femtosecond laser-assisted atom probe tomography (APT). An effective sample preparation method for APT characterization is developed. Based on the difference in atomic density between hydrogenated amorphous and crystalline silicon, we are able to distinguish the nanocrystals from the amorphous matrix by using APT. Moreover, thanks to the three-dimensional reconstruction, we demonstrate that Si nanocrystals are homogeneously distributed in the entire intrinsic layer of the solar cell. The influence of the process pressure on the incorporation of nanocrystals and their distribution is also investigated. Thanks to APT we could determine crystalline fractions as low as 4.2% in the pm-Si:H films, which is very difficult to determine by standard techniques, such as X-ray diffraction, Raman spectroscopy, and spectroscopic ellipsometry. Moreover, we also demonstrate a sharp p/i interface in our solar cells.

Atomic insight into tribochemical wear mechanism of silicon at the Si/SiO{sub 2} interface in aqueous environment: Molecular dynamics simulations using ReaxFF reactive force field

Energy Technology Data Exchange (ETDEWEB)

Wen, Jialin; Ma, Tianbao [State Key Laboratory of Tribology, Tsinghua University, Beijing 100084 (China); Zhang, Weiwei; Psofogiannakis, George; Duin, Adri C.T. van [Department of Mechanical and Nuclear Engineering, Pennsylvania State University, University Park, PA 16802 (United States); Chen, Lei; Qian, Linmao [Tribology Research Institute, Key Laboratory of Advanced Technologies of Materials (Ministry of Education), Southwest Jiaotong University, Chengdu 610031 (China); Hu, Yuanzhong [State Key Laboratory of Tribology, Tsinghua University, Beijing 100084 (China); Lu, Xinchun, E-mail: xclu@tsinghua.edu.cn [State Key Laboratory of Tribology, Tsinghua University, Beijing 100084 (China)

2016-12-30

Highlights: • New ReaxFF reactive force field was applied to simulate the tribochemical wear process at Si/SiO{sub 2} interface. • Wear of silicon atoms is due to the breaking of Si–O–Si bonds and Si–Si–O–Si bond chains on the Si substrate. • Interfacial bridge bonds play an important role during the tribochemical wear process. • Higher pressures applied to the silica phase can cause more Si atoms to be removed by forming more interfacial bridge bonds. • Water plays an opposing role in the wear process because of its both chemical and mechanical effects. - Abstract: In this work, the atomic mechanism of tribochemical wear of silicon at the Si/SiO{sub 2} interface in aqueous environment was investigated using ReaxFF molecular dynamics (MD) simulations. Two types of Si atom removal pathways were detected in the wear process. The first is caused by the destruction of stretched Si–O–Si bonds on the Si substrate surface and is assisted by the attachment of H atoms on the bridging oxygen atoms of the bonds. The other is caused by the rupture of Si–Si bonds in the stretched Si–Si–O–Si bond chains at the interface. Both pathways effectively remove Si atoms from the silicon surface via interfacial Si–O–Si bridge bonds. Our simulations also demonstrate that higher pressures applied to the silica phase can cause more Si atoms to be removed due to the formation of increased numbers of interfacial Si–O–Si bridge bonds. Besides, water plays a dual role in the wear mechanism, by oxidizing the Si substrate surface as well as by preventing the close contact of the surfaces. This work shows that the removal of Si atoms from the substrate is a result of both chemical reaction and mechanical effects and contributes to the understanding of tribochemical wear behavior in the microelectromechanical systems (MEMS) and Si chemical mechanical polishing (CMP) process.

Assessment of Sharp Injuries among Cameroonian Dental ...

African Journals Online (AJOL)

2010-07-10

Jul 10, 2010 ... prophylaxis practice and methods of sharps disposal. Results ... training on guidelines adherence, safe recapping and disposal systems. Abstract ... of sharps in oral healthcare delivery and restricted nar- row field of surgery ...

Physical modelling of interactions between interfaces and turbulence; Modelisation physique des interactions entre interfaces et turbulence

Energy Technology Data Exchange (ETDEWEB)

Toutant, A

2006-12-15

The complex interactions between interfaces and turbulence strongly impact the flow properties. Unfortunately, Direct Numerical Simulations (DNS) have to entail a number of degrees of freedom proportional to the third power of the Reynolds number to correctly describe the flow behaviour. This extremely hard constraint makes it impossible to use DNS for industrial applications. Our strategy consists in using and improving DNS method in order to develop the Interfaces and Sub-grid Scales concept. ISS is a two-phase equivalent to the single-phase Large Eddy Simulation (LES) concept. The challenge of ISS is to integrate the two-way coupling phenomenon into sub-grid models. Applying a space filter, we have exhibited correlations or sub-grid terms that require closures. We have shown that, in two-phase flows, the presence of a discontinuity leads to specific sub-grid terms. Comparing the maximum of the norm of the sub-grid terms with the maximum of the norm of the advection tensor, we have found that sub-grid terms related to interfacial forces and viscous effect are negligible. Consequently, in the momentum balance, only the sub-grid terms related to inertia have to be closed. Thanks to a priori tests performed on several DNS data, we demonstrate that the scale similarity hypothesis, reinterpreted near discontinuity, provides sub-grid models that take into account the two-way coupling phenomenon. These models correspond to the first step of our work. Indeed, in this step, interfaces are smooth and, interactions between interfaces and turbulence occur in a transition zone where each physical variable varies sharply but continuously. The next challenge has been to determine the jump conditions across the sharp equivalent interface corresponding to the sub-grid models of the transition zone. We have used the matched asymptotic expansion method to obtain the jump conditions. The first tests on the velocity of the sharp equivalent interface are very promising (author)

High fidelity simulation and analysis of liquid jet atomization in a gaseous crossflow at intermediate Weber numbers

Energy Technology Data Exchange (ETDEWEB)

Li, Xiaoyi, E-mail: lixy2@utrc.utc.com; Soteriou, Marios C. [United Technologies Research Center, East Hartford, Connecticut 06108 (United States)

2016-08-15

Recent advances in numerical methods coupled with the substantial enhancements in computing power and the advent of high performance computing have presented first principle, high fidelity simulation as a viable tool in the prediction and analysis of spray atomization processes. The credibility and potential impact of such simulations, however, has been hampered by the relative absence of detailed validation against experimental evidence. The numerical stability and accuracy challenges arising from the need to simulate the high liquid-gas density ratio across the sharp interfaces encountered in these flows are key reasons for this. In this work we challenge this status quo by presenting a numerical model able to deal with these challenges, employing it in simulations of liquid jet in crossflow atomization and performing extensive validation of its results against a carefully executed experiment with detailed measurements in the atomization region. We then proceed to the detailed analysis of the flow physics. The computational model employs the coupled level set and volume of fluid approach to directly capture the spatiotemporal evolution of the liquid-gas interface and the sharp-interface ghost fluid method to stably handle high liquid-air density ratio. Adaptive mesh refinement and Lagrangian droplet models are shown to be viable options for computational cost reduction. Moreover, high performance computing is leveraged to manage the computational cost. The experiment selected for validation eliminates the impact of inlet liquid and gas turbulence and focuses on the impact of the crossflow aerodynamic forces on the atomization physics. Validation is demonstrated by comparing column surface wavelengths, deformation, breakup locations, column trajectories and droplet sizes, velocities, and mass rates for a range of intermediate Weber numbers. Analysis of the physics is performed in terms of the instability and breakup characteristics and the features of downstream

Direct numerical simulation of interfacial instabilities: A consistent, conservative, all-speed, sharp-interface method

Science.gov (United States)

Chang, Chih-Hao; Deng, Xiaolong; Theofanous, Theo G.

2013-06-01

We present a conservative and consistent numerical method for solving the Navier-Stokes equations in flow domains that may be separated by any number of material interfaces, at arbitrarily-high density/viscosity ratios and acoustic-impedance mismatches, subjected to strong shock waves and flow speeds that can range from highly supersonic to near-zero Mach numbers. A principal aim is prediction of interfacial instabilities under superposition of multiple potentially-active modes (Rayleigh-Taylor, Kelvin-Helmholtz, Richtmyer-Meshkov) as found for example with shock-driven, immersed fluid bodies (locally oblique shocks)—accordingly we emphasize fidelity supported by physics-based validation, including experiments. Consistency is achieved by satisfying the jump discontinuities at the interface within a conservative 2nd-order scheme that is coupled, in a conservative manner, to the bulk-fluid motions. The jump conditions are embedded into a Riemann problem, solved exactly to provide the pressures and velocities along the interface, which is tracked by a level set function to accuracy of O(Δx5, Δt4). Subgrid representation of the interface is achieved by allowing curvature of its constituent interfacial elements to obtain O(Δx3) accuracy in cut-cell volume, with attendant benefits in calculating cell- geometric features and interface curvature (O(Δx3)). Overall the computation converges at near-theoretical O(Δx2). Spurious-currents are down to machine error and there is no time-step restriction due to surface tension. Our method is built upon a quadtree-like adaptive mesh refinement infrastructure. When necessary, this is supplemented by body-fitted grids to enhance resolution of the gas dynamics, including flow separation, shear layers, slip lines, and critical layers. Comprehensive comparisons with exact solutions for the linearized Rayleigh-Taylor and Kelvin-Helmholtz problems demonstrate excellent performance. Sample simulations of liquid drops subjected to

The Atom-Bond Connectivity Index of Catacondensed Polyomino Graphs

OpenAIRE

Chen, Jinsong; Liu, Jianping; Li, Qiaoliang

2013-01-01

Let G=(V,E) be a graph. The atom-bond connectivity (ABC) index is defined as the sum of weights ((du+dv−2)/dudv)1/2 over all edges uv of G, where du denotes the degree of a vertex u of G. In this paper, we give the atom-bond connectivity index of the zigzag chain polyomino graphs. Meanwhile, we obtain the sharp upper bound on the atom-bond connectivity index of catacondensed polyomino graphs with h squares and determine the corresponding extremal graphs.

IAEA consultants` meeting on atomic data base and fusion applications interface, Vienna, 9-13 May 1988. Summary report

Energy Technology Data Exchange (ETDEWEB)

Janev, R K

1988-09-01

The Summary Report of the IAEA Consultants` Meeting on the ``Atomic Data Base and Fusion Applications Interface`` held at the IAEA Headquarters in Vienna on May 9-13, 1988, is provided. The Report contains a brief review of the meeting proceedings, and the reports of the Working Groups on the A and M dictionary (labelling/indexing system) and on the data storage and exchange system. The conclusions and recommendations of the meeting are also summarized. (author). Figs and tabs.

Interface effects on effective elastic moduli of nanocrystalline materials

International Nuclear Information System (INIS)

Wang Gangfeng; Feng Xiqiao; Yu Shouwen; Nan Cewen

2003-01-01

Interfaces often play a significant role in many physical properties and phenomena of nanocrystalline materials (NcMs). In the present paper, the interface effects on the effective elastic property of NcMs are investigated. First, an atomic potential method is suggested for estimating the effective elastic modulus of an interface phase. Then, the Mori-Tanaka effective field method is employed to determine the overall effective elastic moduli of a nanocrystalline material, which is regarded as a binary composite consisting of a crystal or inclusion phase with regular lattice connected by an amorphous-like interface or matrix phase. Finally, the stiffening effects of strain gradients are examined on the effective elastic property by using the strain gradient theory to analyze a representative unit cell. Our analysis shows two physical mechanisms of interfaces that influence the effective stiffness and other mechanical properties of materials. One is the softening effect due to the distorted atomic structures and the increased atomic spacings in interface regions, and another is the baffling effect due to the existence of boundary layers between the interface phase and the crystalline phase

Variational reconstruction using subdivision surfaces with continuous sharpness control

Institute of Scientific and Technical Information of China (English)

Xiaoqun Wu; Jianmin Zheng; Yiyu Cai; Haisheng Li

2017-01-01

We present a variational method for subdivision surface reconstruction from a noisy dense mesh.A new set of subdivision rules with continuous sharpness control is introduced into Loop subdivision for better modeling subdivision surface features such as semi-sharp creases,creases,and corners.The key idea is to assign a sharpness value to each edge of the control mesh to continuously control the surface features.Based on the new subdivision rules,a variational model with L1 norm is formulated to find the control mesh and the corresponding sharpness values of the subdivision surface that best fits the input mesh.An iterative solver based on the augmented Lagrangian method and particle swarm optimization is used to solve the resulting non-linear,non-differentiable optimization problem.Our experimental results show that our method can handle meshes well with sharp/semi-sharp features and noise.

Spectr-W3 Online Database On Atomic Properties Of Atoms And Ions

Science.gov (United States)

Faenov, A. Ya.; Magunov, A. I.; Pikuz, T. A.; Skobelev, I. Yu.; Loboda, P. A.; Bakshayev, N. N.; Gagarin, S. V.; Komosko, V. V.; Kuznetsov, K. S.; Markelenkov, S. A.

2002-10-01

Recent progress in the novel information technologies based on the World-Wide Web (WWW) gives a new possibility for a worldwide exchange of atomic spectral and collisional data. This facilitates joint efforts of the international scientific community in basic and applied research, promising technological developments, and university education programs. Special-purpose atomic databases (ADBs) are needed for an effective employment of large-scale datasets. The ADB SPECTR developed at MISDC of VNIIFTRI has been used during the last decade in several laboratories in the world, including RFNC-VNIITF. The DB SPECTR accumulates a considerable amount of atomic data (about 500,000 records). These data were extracted from publications on experimental and theoretical studies in atomic physics, astrophysics, and plasma spectroscopy during the last few decades. The information for atoms and ions comprises the ionization potentials, the energy levels, the wavelengths and transition probabilities, and, to a lesser extent, -- also the autoionization rates, and the electron-ion collision cross-sections and rates. The data are supplied with source references and comments elucidating the details of computations or measurements. Our goal is to create an interactive WWW information resource based on the extended and updated Web-oriented database version SPECTR-W3 and its further integration into the family of specialized atomic databases on the Internet. The version will incorporate novel experimental and theoretical data. An appropriate revision of the previously accumulated data will be performed from the viewpoint of their consistency to the current state-of-the-art. We are particularly interested in cooperation for storing the atomic collision data. Presently, a software shell with the up-to-date Web-interface is being developed to work with the SPECTR-W3 database. The shell would include the subsystems of information retrieval, input, update, and output in/from the database and

Metal/silicon Interfaces and Their Oxidation Behavior - Photoemission Spectroscopy Analysis.

Science.gov (United States)

Yeh, Jyh-Jye

Synchrotron radiation photoemission spectroscopy was used to study Ni/Si and Au/Si interface properties on the atomic scale at room temperature, after high temperature annealing and after oxygen exposures. Room temperature studies of metal/Si interfaces provide background for an understanding of the interface structure after elevated temperature annealing. Oxidation studies of Si surfaces covered with metal overlayers yield insight about the effect of metal atoms in the Si oxidation mechanisms and are useful in the identification of subtle differences in bonding relations between atoms at the metal/Si interfaces. Core level and valence band spectra with variable surface sensitivities were used to study the interactions between metal, Si, and oxygen for metal coverages and oxide thickness in the monolayer region. Interface morphology at the initial stage of metal/Si interface formation and after oxidation was modeled on the basis of the evolutions of metal and Si signals at different probing depths in the photoemission experiment. Both Ni/Si and Au/Si interfaces formed at room temperature have a diffusive region at the interface. This is composed of a layer of metal-Si alloy, formed by Si outdiffusion into the metal overlayer, above a layer of interstitial metal atoms in the Si substrate. Different atomic structures of these two regions at Ni/Si interface can account for the two different growth orientations of epitaxial Ni disilicides on the Si(111) surface after thermal annealing. Annealing the Au/Si interface at high temperature depletes all the Au atoms except for one monolayer of Au on the Si(111) surface. These phenomena are attributed to differences in the metal-Si chemical bonding relations associated with specific atomic structures. After oxygen exposures, both the Ni disilicide surface and Au covered Si surfaces (with different coverages and surface orderings) show silicon in higher oxidation states, in comparison to oxidized silicon on a clean surface

A sharp interface immersed boundary method for vortex-induced vibration in the presence of thermal buoyancy

Science.gov (United States)

Garg, Hemanshul; Soti, Atul K.; Bhardwaj, Rajneesh

2018-02-01

We report the development of an in-house fluid-structure interaction solver and its application to vortex-induced vibration (VIV) of an elastically mounted cylinder in the presence of thermal buoyancy. The flow solver utilizes a sharp interface immersed boundary method, and in the present work, we extend it to account for the thermal buoyancy using Boussinesq approximation and couple it with a spring-mass system of the VIV. The one-way coupling utilizes an explicit time integration scheme and is computationally efficient. We present benchmark code verifications of the solver for natural convection, mixed convection, and VIV. In addition, we verify a coupled VIV-thermal buoyancy problem at a Reynolds number, Re = 150. We numerically demonstrate the onset of the VIV in the presence of the thermal buoyancy for an insulated cylinder at low Re. The buoyancy is induced by two parallel plates, kept in the direction of flow and symmetrically placed around the cylinder. The plates are maintained at the hot and cold temperature to the same degree relative to the ambient. In the absence of the thermal buoyancy (i.e., the plates are at ambient temperature), the VIV does not occur for Re ≤ 20 due to stable shear layers. By contrast, the thermal buoyancy induces flow instability and the vortex shedding helps us to achieve the VIV at Re ≤ 20, lower than the critical value of Re (≈21.7), reported in the literature, for a self-sustained VIV in the absence of the thermal buoyancy. The present simulations show that the lowest Re to achieve VIV in the presence of the thermal buoyancy is around Re ≈ 3, at Richardson number, Ri = 1. We examine the effect of the reduced velocity (UR), mass ratio (m), Prandtl number (Pr), Richardson number (Ri) on the displacement of the cylinder, lift coefficient, oscillation frequency, the phase difference between displacement and lift force, and wake structures. We obtain a significantly larger vibration amplitude of the cylinder over a wide

Spacecraft Health Automated Reasoning Prototype (SHARP): The fiscal year 1989 SHARP portability evaluations task for NASA Solar System Exploration Division's Voyager project

Science.gov (United States)

Atkinson, David J.; Doyle, Richard J.; James, Mark L.; Kaufman, Tim; Martin, R. Gaius

1990-01-01

A Spacecraft Health Automated Reasoning Prototype (SHARP) portability study is presented. Some specific progress is described on the portability studies, plans for technology transfer, and potential applications of SHARP and related artificial intelligence technology to telescience operations. The application of SHARP to Voyager telecommunications was a proof-of-capability demonstration of artificial intelligence as applied to the problem of real time monitoring functions in planetary mission operations. An overview of the design and functional description of the SHARP system is also presented as it was applied to Voyager.

Lithium implantation at low temperature in silicon for sharp buried amorphous layer formation and defect engineering

International Nuclear Information System (INIS)

Oliviero, E.; David, M. L.; Beaufort, M. F.; Barbot, J. F.; Fichtner, P. F. P.

2013-01-01

The crystalline-to-amorphous transformation induced by lithium ion implantation at low temperature has been investigated. The resulting damage structure and its thermal evolution have been studied by a combination of Rutherford backscattering spectroscopy channelling (RBS/C) and cross sectional transmission electron microscopy (XTEM). Lithium low-fluence implantation at liquid nitrogen temperature is shown to produce a three layers structure: an amorphous layer surrounded by two highly damaged layers. A thermal treatment at 400 °C leads to the formation of a sharp amorphous/crystalline interfacial transition and defect annihilation of the front heavily damaged layer. After 600 °C annealing, complete recrystallization takes place and no extended defects are left. Anomalous recrystallization rate is observed with different motion velocities of the a/c interfaces and is ascribed to lithium acting as a surfactant. Moreover, the sharp buried amorphous layer is shown to be an efficient sink for interstitials impeding interstitial supersaturation and {311} defect formation in case of subsequent neon implantation. This study shows that lithium implantation at liquid nitrogen temperature can be suitable to form a sharp buried amorphous layer with a well-defined crystalline front layer, thus having potential applications for defects engineering in the improvement of post-implantation layers quality and for shallow junction formation.

Atomic mirrors for a Λ-type three-level atom

International Nuclear Information System (INIS)

Felemban, Nuha; Aldossary, Omar M; Lembessis, Vassilis E

2014-01-01

We propose atom mirror schemes for a three-level atom of Λ-type interacting with two evanescent fields, which are generated as a result of the total internal reflection of two coherent Gaussian laser beams at the interface of a dielectric prism with vacuum. The forces acting on the atom are derived by means of optical Bloch equations, based on the atomic density matrix elements. The theory is illustrated by setting up the equations of motion for 23 Na atom. Two types of excited schemes are examined, namely the cases in which the evanescent fields have polarization types of σ + −σ − and σ + −π. The equations are solved numerically and we get results for atomic trajectories for different parameters. The performance of the mirror for the two types of polarization schemes is quantified and discussed. The possibility of reflecting atoms at pre-determined directions is also discussed. (paper)

The Interface Between Fresh and Salt Groundwater in Horizontal Aquifers : The Dupuit–Forchheimer Approximation Revisited

NARCIS (Netherlands)

van Duijn, C. J.; Schotting, R. J.

We analyze the motion of a sharp interface between fresh and salt groundwater in horizontal, confined aquifers of infinite extend. The analysis is based on earlier results of De Josselin de Jong (Proc Euromech 143:75–82, 1981). Parameterizing the height of the interface along the horizontal base of

The interface between fresh and salt groundwater in horizontal aquifers : the Dupuit–Forchheimer approximation revisited

NARCIS (Netherlands)

van Duijn, C. J.; Schotting, R. J.

2017-01-01

We analyze the motion of a sharp interface between fresh and salt groundwater in horizontal, confined aquifers of infinite extend. The analysis is based on earlier results of De Josselin de Jong (Proc Euromech 143:75–82, 1981). Parameterizing the height of the interface along the horizontal base of

Stacking it up: Exploring the limits of ultra-high resolution atomic force microscopy

NARCIS (Netherlands)

van der Heijden, N.J.

2017-01-01

Atomic force microscopy (AFM) is a technique wherein an atomically sharp needle raster scans across a surface, detecting forces between it and the sample. In state-of-the-art AFM experiments the measured forces are typically on the order of pico-Newtons, and the lateral resolution is on the order of

High yield polyol synthesis of round- and sharp-end silver nanowires with high aspect ratio

Energy Technology Data Exchange (ETDEWEB)

Nekahi, A.; Marashi, S.P.H., E-mail: pmarashi@aut.ac.ir; Fatmesari, D. Haghshenas

2016-12-01

Long silver nanowires (average length of 28 μm, average aspect ratio of 130) with uniform diameter along their length were produced by polyol synthesis of AgNO{sub 3} in ethylene glycol in the presence of PVP as preferential growth agent. Nanowires were produced with no addition of chloride salts such as NaCl or CuCl{sub 2} (or other additives such as Na{sub 2}S) which are usually used for lowering reduction rate of Ag ions by additional etchant of O{sub 2}/Cl{sup −}. Lower reduction rate was obtained by increasing the injection time of PVP and AgNO{sub 3} solutions, which was the significant factor in the formation of nanowires. Therefore, there was enough time for reduced Ag atoms to be deposited preferentially in the direction of PVP chains, resulting in high yield (the fraction of nanowires in the products) of nanowires (more than 95%) with high aspect ratio. The produced nanowires had both round- and sharp-ends with pentagonal cross section. Higher energy level of Ag atoms in borders of MTPs, which increases the dissolution rate of precipitated atoms, in addition to partial melting of MTPs at high synthesis temperatures, leads to the curving of the surfaces of exposed (111) crystalline planes in some MTPs and the formation of round-end silver nanowires. - Highlights: • Long silver nanowires with high aspect ratio of 130 were produced. • More than 95% nanowires were produced in products. • The produced nanowires had round- and sharp-ends with pentagonal cross section. • Additives were needed neither for high yield synthesis nor for round-end nanowires. • Melting and etching of MTPs in high energy borders resulted to round-end nanowires.

Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2.

Science.gov (United States)

Fugel, Malte; Jayatilaka, Dylan; Hupf, Emanuel; Overgaard, Jacob; Hathwar, Venkatesha R; Macchi, Piero; Turner, Michael J; Howard, Judith A K; Dolomanov, Oleg V; Puschmann, Horst; Iversen, Bo B; Bürgi, Hans-Beat; Grabowsky, Simon

2018-01-01

Hirshfeld atom refinement (HAR) is a novel X-ray structure refinement technique that employs aspherical atomic scattering factors obtained from stockholder partitioning of a theoretically determined tailor-made static electron density. HAR overcomes many of the known limitations of independent atom modelling (IAM), such as too short element-hydrogen distances, r ( X -H), or too large atomic displacement parameters (ADPs). This study probes the accuracy and precision of anisotropic hydrogen and non-hydrogen ADPs and of r ( X -H) values obtained from HAR. These quantities are compared and found to agree with those obtained from (i) accurate neutron diffraction data measured at the same temperatures as the X-ray data and (ii) multipole modelling (MM), an established alternative method for interpreting X-ray diffraction data with the help of aspherical atomic scattering factors. Results are presented for three chemically different systems: the aromatic hydro-carbon rubrene (orthorhombic 5,6,11,12-tetra-phenyl-tetracene), a co-crystal of zwitterionic betaine, imidazolium cations and picrate anions (BIPa), and the salt potassium hydrogen oxalate (KHOx). The non-hydrogen HAR-ADPs are as accurate and precise as the MM-ADPs. Both show excellent agreement with the neutron-based values and are superior to IAM-ADPs. The anisotropic hydrogen HAR-ADPs show a somewhat larger deviation from neutron-based values than the hydrogen SHADE-ADPs used in MM. Element-hydrogen bond lengths from HAR are in excellent agreement with those obtained from neutron diffraction experiments, although they are somewhat less precise. The residual density contour maps after HAR show fewer features than those after MM. Calculating the static electron density with the def2-TZVP basis set instead of the simpler def2-SVP one does not improve the refinement results significantly. All HARs were performed within the recently introduced HARt option implemented in the Olex2 program. They are easily launched

Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2

Directory of Open Access Journals (Sweden)

Malte Fugel

2018-01-01

Full Text Available Hirshfeld atom refinement (HAR is a novel X-ray structure refinement technique that employs aspherical atomic scattering factors obtained from stockholder partitioning of a theoretically determined tailor-made static electron density. HAR overcomes many of the known limitations of independent atom modelling (IAM, such as too short element–hydrogen distances, r(X—H, or too large atomic displacement parameters (ADPs. This study probes the accuracy and precision of anisotropic hydrogen and non-hydrogen ADPs and of r(X—H values obtained from HAR. These quantities are compared and found to agree with those obtained from (i accurate neutron diffraction data measured at the same temperatures as the X-ray data and (ii multipole modelling (MM, an established alternative method for interpreting X-ray diffraction data with the help of aspherical atomic scattering factors. Results are presented for three chemically different systems: the aromatic hydrocarbon rubrene (orthorhombic 5,6,11,12-tetraphenyltetracene, a co-crystal of zwitterionic betaine, imidazolium cations and picrate anions (BIPa, and the salt potassium hydrogen oxalate (KHOx. The non-hydrogen HAR-ADPs are as accurate and precise as the MM-ADPs. Both show excellent agreement with the neutron-based values and are superior to IAM-ADPs. The anisotropic hydrogen HAR-ADPs show a somewhat larger deviation from neutron-based values than the hydrogen SHADE-ADPs used in MM. Element–hydrogen bond lengths from HAR are in excellent agreement with those obtained from neutron diffraction experiments, although they are somewhat less precise. The residual density contour maps after HAR show fewer features than those after MM. Calculating the static electron density with the def2-TZVP basis set instead of the simpler def2-SVP one does not improve the refinement results significantly. All HARs were performed within the recently introduced HARt option implemented in the Olex2 program. They are easily

Atomic and electronic structure of a copper/graphene interface as prepared and 1.5 years after

Science.gov (United States)

Boukhvalov, D. W.; Bazylewski, P. F.; Kukharenko, A. I.; Zhidkov, I. S.; Ponosov, Yu. S.; Kurmaev, E. Z.; Cholakh, S. O.; Lee, Y. H.; Chang, G. S.

2017-12-01

We report the results of X-ray spectroscopy and Raman measurements of as-prepared graphene on a high quality copper surface and the same materials after 1.5 years under different conditions (ambient and low humidity). The obtained results were compared with density functional theory calculations of the formation energies and electronic structures of various structural defects in graphene/Cu interfaces. For evaluation of the stability of the carbon cover, we propose a two-step model. The first step is oxidation of the graphene, and the second is perforation of graphene with the removal of carbon atoms as part of the carbon dioxide molecule. Results of the modeling and experimental measurements provide evidence that graphene grown on high-quality copper substrate becomes robust and stable in time (1.5 years). However, the stability of this interface depends on the quality of the graphene and the number of native defects in the graphene and substrate. The effect of the presence of a metallic substrate with defects on the stability and electronic structure of graphene is also discussed

Atomic Scale Structure-Chemistry Relationships at Oxide Catalyst Surfaces and Interfaces

Science.gov (United States)

McBriarty, Martin E.

Oxide catalysts are integral to chemical production, fuel refining, and the removal of environmental pollutants. However, the atomic-scale phenomena which lead to the useful reactive properties of catalyst materials are not sufficiently understood. In this work, the tools of surface and interface science and electronic structure theory are applied to investigate the structure and chemical properties of catalytically active particles and ultrathin films supported on oxide single crystals. These studies focus on structure-property relationships in vanadium oxide, tungsten oxide, and mixed V-W oxides on the surfaces of alpha-Al2O3 and alpha-Fe2O 3 (0001)-oriented single crystal substrates, two materials with nearly identical crystal structures but drastically different chemical properties. In situ synchrotron X-ray standing wave (XSW) measurements are sensitive to changes in the atomic-scale geometry of single crystal model catalyst surfaces through chemical reaction cycles, while X-ray photoelectron spectroscopy (XPS) reveals corresponding chemical changes. Experimental results agree with theoretical calculations of surface structures, allowing for detailed electronic structure investigations and predictions of surface chemical phenomena. The surface configurations and oxidation states of V and W are found to depend on the coverage of each, and reversible structural shifts accompany chemical state changes through reduction-oxidation cycles. Substrate-dependent effects suggest how the choice of oxide support material may affect catalytic behavior. Additionally, the structure and chemistry of W deposited on alpha-Fe 2O3 nanopowders is studied using X-ray absorption fine structure (XAFS) measurements in an attempt to bridge single crystal surface studies with real catalysts. These investigations of catalytically active material surfaces can inform the rational design of new catalysts for more efficient and sustainable chemistry.

Mechanism of magnetization enhancement at CoO/permalloy interfaces

KAUST Repository

Grytsiuk, Sergii

2013-08-12

We investigate the magnetic properties of CoO(111)/permalloy(111) interfaces by ab-initio calculations. We employ a (5 × 5)CoO/(6 × 6)permalloy supercell, to satisfy the ∼5:6 ratio of the lattice constants, and optimize the atomic density near the interface. While experimentally the interface magnetization is 14% higher than in the bulk, we find for the purely O/Co-terminated interface a decrease/increase by 140%/40%, which enables insight into the real interface with partial O deficiency and atomic intermixing. Intermixing between Fe and Ni significantly lowers the total energy, which promotes Fe accumulation at the interface. Since Co-O bonds are energetically favorable, O diffusion into the permalloy is suppressed.

Mechanism of magnetization enhancement at CoO/permalloy interfaces

KAUST Repository

Grytsyuk, Sergiy; Schwingenschlö gl, Udo

2013-01-01

We investigate the magnetic properties of CoO(111)/permalloy(111) interfaces by ab-initio calculations. We employ a (5 × 5)CoO/(6 × 6)permalloy supercell, to satisfy the ∼5:6 ratio of the lattice constants, and optimize the atomic density near the interface. While experimentally the interface magnetization is 14% higher than in the bulk, we find for the purely O/Co-terminated interface a decrease/increase by 140%/40%, which enables insight into the real interface with partial O deficiency and atomic intermixing. Intermixing between Fe and Ni significantly lowers the total energy, which promotes Fe accumulation at the interface. Since Co-O bonds are energetically favorable, O diffusion into the permalloy is suppressed.

The molecule-metal interface

CERN Document Server

Koch, Norbert; Wee, Andrew Thye Shen

2013-01-01

Reviewing recent progress in the fundamental understanding of the molecule-metal interface, this useful addition to the literature focuses on experimental studies and introduces the latest analytical techniques as applied to this interface.The first part covers basic theory and initial principle studies, while the second part introduces readers to photoemission, STM, and synchrotron techniques to examine the atomic structure of the interfaces. The third part presents photoelectron spectroscopy, high-resolution UV photoelectron spectroscopy and electron spin resonance to study the electroni

Manipulating mesoscopic multipartite entanglement with atom-light interfaces

International Nuclear Information System (INIS)

Stasinska, J.; Rodo, C.; Paganelli, S.; Birkl, G.; Sanpera, A.

2009-01-01

Entanglement between two macroscopic atomic ensembles induced by measurement on an ancillary light system has proven to be a powerful method for engineering quantum memories and quantum state transfer. Here we investigate the feasibility of such methods for generation, manipulation, and detection of genuine multipartite entanglement (Greenberger-Horne-Zeilinger and clusterlike states) between mesoscopic atomic ensembles without the need of individual addressing of the samples. Our results extend in a nontrivial way the Einstein-Podolsky-Rosen entanglement between two macroscopic gas samples reported experimentally in [B. Julsgaard, A. Kozhekin, and E. Polzik, Nature (London) 413, 400 (2001)]. We find that under realistic conditions, a second orthogonal light pulse interacting with the atomic samples, can modify and even reverse the entangling action of the first one leaving the samples in a separable state.

Sharp Gronwall-Bellman type integral inequalities with delay

Directory of Open Access Journals (Sweden)

István Győri

2016-11-01

Full Text Available Various attempts have been made to give an upper bound for the solutions of the delayed version of the Gronwall-Bellman integral inequality, but the obtained estimations are not sharp. In this paper a new approach is presented to get sharp estimations for the nonnegative solutions of the considered delayed inequalities. The results are based on the idea of the generalized characteristic inequality. Our method gives sharp estimation, and therefore the results are more exact than the earlier ones.

Crystal interface and high-resolution electron microscopy—the best partner

Directory of Open Access Journals (Sweden)

H Ichinose

2000-01-01

Full Text Available Several contributions of HRTEM on the interface science are reviewed in chronological order. The first contribution of HRTEM is the observation of gold (113Σ°11 boundary, giving experimental proof of the CSL model. An observation of the asymmetric (112Σ°3 boundary follows. A SiC grain boundary is effectively assessed not by the density of CSL point but the number of dangling bonds in the boundary. A ZnO/Pd interface provides an example that a misfit dislocation does not necessarily accommodate the lattice mismatch. Segregated interface shows characteristic HRTEM image contrast, suggesting change in atomic bonding. An atomic height step in the semiconductor hetero interface is observed by the Chemical Lattice Image technique. In the diamond grain boundary a dangling bond may not elevate the boundary energy, being contradictory of the least dangling bond rule. Super-high resolution of the HVHRTEM enable us to determine atomic species in the grain boundary. Combined use of HRTEM and EELSE allows us to discuss the correlation between atomic structure and nature of the corresponding interface. It is not exaggeration to say that modern interface science does not exist witout HRTEM. On the other hand, many complicated interfaces found by HRTEM remained as unaswered questions. An innovative structural model is requested to appear on the scene.

Lifetime broadening of atomic lines produced upon ultrafast dissociation of HCl and HBr

Energy Technology Data Exchange (ETDEWEB)

Lablanquie, P., E-mail: pascal.lablanquie@upmc.fr [Sorbonne Universités, UPMC Univ Paris 06, LCPMR, 11 rue Pierre et Marie Curie, 75231 Paris Cedex 05 (France); CNRS, LCPMR (UMR 7614), 11 rue Pierre et Marie Curie, 75231 Paris Cedex 05 (France); Iwayama, H. [UVSOR Facility, Institute for Molecular Science, Okazaki 444-8585 (Japan); Penent, F. [Sorbonne Universités, UPMC Univ Paris 06, LCPMR, 11 rue Pierre et Marie Curie, 75231 Paris Cedex 05 (France); CNRS, LCPMR (UMR 7614), 11 rue Pierre et Marie Curie, 75231 Paris Cedex 05 (France); Soejima, K. [Department of Environmental Science, Niigata University, Niigata 950-2181 (Japan); Shigemasa, E. [UVSOR Facility, Institute for Molecular Science, Okazaki 444-8585 (Japan)

2014-08-15

Highlights: • Ultrafast dissociation of HCl is triggered by 2p{sub 3/2} → σ* excitation. • Ultrafast dissociation of HBr is triggered by 3d{sub 5/2} → σ* excitation. • Photoelectron spectroscopy reveals sharp vibrational molecular lines and broad atomic lines. • The profiles of the atomic lines are analyzed in detail. • We extract the lifetime of the inner shell hole in the neutral atomic fragment. - Abstract: Ultrafast dissociation of the HCl and HBr molecules excited respectively to the 2p{sub 3/2} → σ* and 3d{sub 5/2} → σ* resonances are studied with high resolution photoelectron spectroscopy. Sharp vibrational molecular lines and broad atomic lines are observed. The analysis of the profile of the atomic lines gives access to the lifetimes of the inner shell 2p{sub 3/2} hole in the Cl* (2p{sub 3/2}){sup −1} 3s{sup 2}3p{sup 6} configuration, and the inner shell 3d{sub 5/2} hole in the Br* (3d{sub 5/2}){sup −1} 4s{sup 2}4p{sup 6} configuration.

Quantum interface between an atom and a photon

International Nuclear Information System (INIS)

Wilk, Tatjana

2008-02-01

A single atom strongly coupled to a high-finesse optical cavity is a versatile tool for quantum information processing. Utilized as a single-photon source, it allows one to generate single photons very efficiently in a well de ned spatio-temporal mode. In a first experiment, polarization-control over the photons is shown. A time-resolved two-photon interference experiment proves the indistinguishability of these photons - required in various quantum information processing schemes. Moreover, in a second experiment, entanglement between the polarization of the emitted photon and the population of the atomic Zeeman levels is created. Subsequent state mapping of the atomic state onto another photon results in a pair of polarization-entangled photons emitted one after the other from the cavity. Although these schemes are in principle possible in free space, the cavity boosts the efficiency by several orders of magnitude. (orig.)

Sharp and the Jules Verne Launcher

Science.gov (United States)

Hunter, John; Cartland, Harry

1996-03-01

Lawrence Livermore National Laboratory (LLNL) has built the worlds largest hydrogen gas gun called SHARP, (Super High Altitude Research Project). Originally designed to launch 5 kg to a 450 km altitude, SHARP is configured horizontally at Site 300 in Tracy, California. SHARP is successfully delivering 5 kg scramjets at Mach 9 in aerophysics tests. Some of the results of the scramjet tests are enlightening and are presented insofar as they are relevant to future launches into space. Using a light gas gun to launch payloads into orbit has been analyzed. We look at LEO (Low Earth Orbit), GEO (Geosynchronous Earth Orbit), and LO (Lunar Orbit). We present a conceptual design for a large light gas gun called the Jules Verne Launcher (JVL). The JVL can deliver 3.3 metric tons to a 500 km low earth orbit. We anticipate one launch per day. We present the history of light gas guns, the SHARP design and performance, and the JVL design. Another section is devoted to the vehicle environment and resultant design. Lastly, we present a cost analysis. Our results indicated that the JVL will be able to deliver 1000 metric tons of payload to LEO yearly. The cost will be 5% of the best US rocket delivery cost. This technology will enable the next phase of man's exploration of space.

Electronic properties of metal-organic and organic-organic interfaces studied by photoemission and photoabsorption spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Molodtsova, Olga

2006-07-01

organic film. Metal ions occupy sites close to the pyrolle nitrogen and strongly interact with molecules transferring negative charge to CuPc. Indium diffusion into the organic films saturates at a stoichiometry of In{sub 2}CuPc. Subsequently, in the second stage the formation of a metallic indium film occurs on the top of the In{sub 2}CuPc film. - Upon deposition on CuPc film Sn and Ag atoms do not diffuse into the organic film forming metallic clusters and/or thin metallic overlayer. Sharp metal-organic film interface is formed. Presented experimental results also give evidence for absence of noticeable chemical reaction of Sn and Ag with CuPc thin film. (orig.)

Atomic column resolved electron energy-loss spectroscopy

International Nuclear Information System (INIS)

Duscher, G.; Pennycook, S.J.; Browning, N.D.

1998-01-01

Spatially resolved electron energy-loss spectroscopy (EELS) is rapidly developing into a unique and powerful tool to characterize internal interfaces. Because atomic column resolved Z-contrast imaging can be performed simultaneously with EELS in the scanning transmission electron microscope, this combination allows the atomic structure to be correlated with the electronic structure, and thus the local properties of interfaces or defects can be determined directly. However, the ability to characterize interfaces and defects at that level requires not only high spatial resolution but also the exact knowledge of the beam location, from where the spectrum is obtained. Here we discuss several examples progressing from cases where the limitation in spatial resolution is given by the microscopes or the nature of the sample, to one example of impurity atoms at a grain boundary, which show intensity and fine structure changes from atomic column to atomic column. Such data can be interpreted as changes in valence of the impurity, depending on its exact site in the boundary plane. Analysis ofthis nature is a valuable first step in understanding the microscopic structural, optical and electronic properties of materials. (orig.)

Observing Imperfection in Atomic Interfaces for van der Waals Heterostructures.

Science.gov (United States)

Rooney, Aidan P; Kozikov, Aleksey; Rudenko, Alexander N; Prestat, Eric; Hamer, Matthew J; Withers, Freddie; Cao, Yang; Novoselov, Kostya S; Katsnelson, Mikhail I; Gorbachev, Roman; Haigh, Sarah J

2017-09-13

Vertically stacked van der Waals heterostructures are a lucrative platform for exploring the rich electronic and optoelectronic phenomena in two-dimensional materials. Their performance will be strongly affected by impurities and defects at the interfaces. Here we present the first systematic study of interfaces in van der Waals heterostructure using cross-sectional scanning transmission electron microscope (STEM) imaging. By measuring interlayer separations and comparing these to density functional theory (DFT) calculations we find that pristine interfaces exist between hBN and MoS 2 or WS 2 for stacks prepared by mechanical exfoliation in air. However, for two technologically important transition metal dichalcogenide (TMDC) systems, MoSe 2 and WSe 2 , our measurement of interlayer separations provide the first evidence for impurity species being trapped at buried interfaces with hBN interfaces that are flat at the nanometer length scale. While decreasing the thickness of encapsulated WSe 2 from bulk to monolayer we see a systematic increase in the interlayer separation. We attribute these differences to the thinnest TMDC flakes being flexible and hence able to deform mechanically around a sparse population of protruding interfacial impurities. We show that the air sensitive two-dimensional (2D) crystal NbSe 2 can be fabricated into heterostructures with pristine interfaces by processing in an inert-gas environment. Finally we find that adopting glovebox transfer significantly improves the quality of interfaces for WSe 2 compared to processing in air.

Interface Mediated Nucleation and Growth of Dislocations in fcc-bcc nanocomposite

Science.gov (United States)

Zhang, Ruifeng; Wang, Jian; Beyerlein, Irene J.; Germann, Timothy C.

2011-03-01

Heterophase interfaces play a crucial role in determining material strength for nanostructured materials because they can block, store, nucleate, and remove dislocations, the essential defects that enable plastic deformation. Much recent theoretical and experimental effort has been conducted on nanostructured Cu-Nb multilayer composites that exhibited extraordinarily high strength, ductility, and resistance to radiation and mechanical loading. In decreasing layer thicknesses to the order of a few tens of nanometers or less, the deformation behavior of such composites is mainly controlled by the Cu/Nb interface. In this work, we focus on the cooperative mechanisms of dislocation nucleation and growth from Cu/Nb interfaces, and their interaction with interface. Two types of experimentally observed Cu/Nb incoherent interfaces are comparatively studied. We found that the preferred dislocation nucleation sites are closely related to atomic interface structure, which in turn, depend on the orientation relationship. The activation stress and energies for an isolated Shockley dislocation loop of different sizes from specific interface sites depend strongly on dislocation size, atomic interface pattern, and loading conditions. Such findings provide important insight into the mechanical response of a wide range of fcc/bcc metallic nanocomposites via atomic interface design.

Atomic- and void-species nanostructures in chalcogenide glasses modified by high-energy γ-irradiation

International Nuclear Information System (INIS)

Kavetskyy, T.; Shpotyuk, O.; Kaban, I.; Hoyer, W.

2007-01-01

Atomic- and void-species nanostructures are studied in As 2 S 3 glass in unmodified and γ-modified states using a combination of conventional X-ray diffraction with respect to the first sharp diffraction peak, synchrotron-based high-energy X-ray diffraction and extended X-ray absorption fine structure spectroscopy. The experimental data are analyzed taking into account radiation-induced changes in the parameters of the first sharp diffraction peak (position, full width at half maximum, intensity), packing factor, structural disordering, atomic and void topology, coordination number and mean square deviation in bond length. The origin of the structural modification effect induced by γ-irradiation is explained in terms of coordination topological defects model. (authors)

NASA-Ames Summer High School Apprenticeship Research Program (SHARP)

Science.gov (United States)

Powell, P.

1983-01-01

The function of SHARP is to recognize high school juniors who have demonstrated unusually high promise for sucess in mathemtics and science. Twenty academically talented students who will be seniors in high school in September were chosen to participate in SHARP 83. Mentors were selected to provide students with first-hand experiences in a research and development environment in order that each student might try out his or her tentative professional career choice. Some special features of SHARP included field trips to private industries doing similar and related research, special lectures on topics of research here at ARC, individual and group counseling sessions, written research papers and oral reports, and primarily the opportunity to be exposed to the present frontiers in space exploration and research. The long-range goal of SHARP is to contribute to the future recruitment of needed scientists and engineers. This final report is summary of all the phases of the planning and implemenation of the 1983 Summer High School Apprenticeship Research Program (SHARP).

Diffuse-interface model for rapid phase transformations in nonequilibrium systems.

Science.gov (United States)

Galenko, Peter; Jou, David

2005-04-01

A thermodynamic approach to rapid phase transformations within a diffuse interface in a binary system is developed. Assuming an extended set of independent thermodynamic variables formed by the union of the classic set of slow variables and the space of fast variables, we introduce finiteness of the heat and solute diffusive propagation at the finite speed of the interface advancing. To describe transformations within the diffuse interface, we use the phase-field model which allows us to follow steep but smooth changes of phase within the width of the diffuse interface. Governing equations of the phase-field model are derived for the hyperbolic model, a model with memory, and a model of nonlinear evolution of transformation within the diffuse interface. The consistency of the model is proved by the verification of the validity of the condition of positive entropy production and by outcomes of the fluctuation-dissipation theorem. A comparison with existing sharp-interface and diffuse-interface versions of the model is given.

Cohesion strength and atomic structure of W-Cu graded interfaces

Energy Technology Data Exchange (ETDEWEB)

Liang, C.P.; Fan, J.L.; Gong, H.R., E-mail: gonghr@csu.edu.cn

2017-04-15

W-Cu graded interface is a solution to big differences of properties between W and Cu, while the number and composition of graded layers in the literature are quite different. The present first principles calculation reveals that W-rich graded interfaces possess higher strength and lower interface energy than Cu-rich counterparts. It shows that the differences of thermal expansion and Young’s modulus between overlayer and substrate are decisive factors in the design of Cu-rich and W-rich graded interfaces, respectively. A graded structure of W{sub 8}Cu{sub 1}/W{sub 7}Cu{sub 2}/W{sub 6}Cu{sub 3}/Cu{sub 6}W{sub 3}/Cu{sub 8}W{sub 1} is therefore suggested theoretically.

Heterogeneous sharpness for cross-spectral face recognition

Science.gov (United States)

Cao, Zhicheng; Schmid, Natalia A.

2017-05-01

Matching images acquired in different electromagnetic bands remains a challenging problem. An example of this type of comparison is matching active or passive infrared (IR) against a gallery of visible face images, known as cross-spectral face recognition. Among many unsolved issues is the one of quality disparity of the heterogeneous images. Images acquired in different spectral bands are of unequal image quality due to distinct imaging mechanism, standoff distances, or imaging environment, etc. To reduce the effect of quality disparity on the recognition performance, one can manipulate images to either improve the quality of poor-quality images or to degrade the high-quality images to the level of the quality of their heterogeneous counterparts. To estimate the level of discrepancy in quality of two heterogeneous images a quality metric such as image sharpness is needed. It provides a guidance in how much quality improvement or degradation is appropriate. In this work we consider sharpness as a relative measure of heterogeneous image quality. We propose a generalized definition of sharpness by first achieving image quality parity and then finding and building a relationship between the image quality of two heterogeneous images. Therefore, the new sharpness metric is named heterogeneous sharpness. Image quality parity is achieved by experimentally finding the optimal cross-spectral face recognition performance where quality of the heterogeneous images is varied using a Gaussian smoothing function with different standard deviation. This relationship is established using two models; one of them involves a regression model and the other involves a neural network. To train, test and validate the model, we use composite operators developed in our lab to extract features from heterogeneous face images and use the sharpness metric to evaluate the face image quality within each band. Images from three different spectral bands visible light, near infrared, and short

Lattice structures and electronic properties of MO/MoSe2 interface from first-principles calculations

Science.gov (United States)

Zhang, Yu; Tang, Fu-Ling; Xue, Hong-Tao; Lu, Wen-Jiang; Liu, Jiang-Fei; Huang, Min

2015-02-01

Using first-principles plane-wave calculations within density functional theory, we theoretically studied the atomic structure, bonding energy and electronic properties of the perfect Mo (110)/MoSe2 (100) interface with a lattice mismatch less than 4.2%. Compared with the perfect structure, the interface is somewhat relaxed, and its atomic positions and bond lengths change slightly. The calculated interface bonding energy is about -1.2 J/m2, indicating that this interface is very stable. The MoSe2 layer on the interface has some interface states near the Fermi level, the interface states are mainly caused by Mo 4d orbitals, while the Se atom almost have no contribution. On the interface, Mo-5s and Se-4p orbitals hybridize at about -6.5 to -5.0 eV, and Mo-4d and Se-4p orbitals hybridize at about -5.0 to -1.0 eV. These hybridizations greatly improve the bonding ability of Mo and Se atom in the interface. By Bader charge analysis, we find electron redistribution near the interface which promotes the bonding of the Mo and MoSe2 layer.

The sharp edge: a frequent radiographic sign in neonatal pneumothorax

International Nuclear Information System (INIS)

Oestreich, A.E.

1987-01-01

The sharp edge sign, an unusually sharply defined silhouette of the heart and/or hemidiaphragm on frontal radiographs of the supine neonate, has been valuable in the initial recognition of pneumothorax. In a prospective study of 50 neonatal pneumothoraces, a sharp edge sign was present on the initial pneumothorax film 49 times. In seven of these, only the hemidiaphragm showed a sharp edge, while the heart margin was superimposed on the vertebral column. Greater awareness of the sharp edge sign would promote earlier recognition of neonatal pneumothorax. 6 refs.; 3 figs

Sharp tipped plastic hollow microneedle array by microinjection moulding

Science.gov (United States)

Yung, K. L.; Xu, Yan; Kang, Chunlei; Liu, H.; Tam, K. F.; Ko, S. M.; Kwan, F. Y.; Lee, Thomas M. H.

2012-01-01

A method of producing sharp tipped plastic hollow microneedle arrays using microinjection moulding is presented in this paper. Unlike traditional approaches, three mould inserts were used to create the sharp tips of the microneedles. Mould inserts with low surface roughness were fabricated using a picosecond laser machine. Sharp tipped plastic hollow microneedles 500 µm in height were fabricated using a microinjection moulding machine developed by the authors’ group. In addition, the strength of the microneedle was studied by simulation and penetration experiments. Results show that the microneedles can penetrate into skin, delivering liquid successfully without any breakage or severe deformation. Techniques presented in this paper can be used to fabricate sharp tipped plastic hollow microneedle arrays massively with low cost.

Sharp tipped plastic hollow microneedle array by microinjection moulding

International Nuclear Information System (INIS)

Yung, K L; Xu, Yan; Kang, Chunlei; Liu, H; Tam, K F; Ko, S M; Kwan, F Y; Lee, Thomas M H

2012-01-01

A method of producing sharp tipped plastic hollow microneedle arrays using microinjection moulding is presented in this paper. Unlike traditional approaches, three mould inserts were used to create the sharp tips of the microneedles. Mould inserts with low surface roughness were fabricated using a picosecond laser machine. Sharp tipped plastic hollow microneedles 500 µm in height were fabricated using a microinjection moulding machine developed by the authors’ group. In addition, the strength of the microneedle was studied by simulation and penetration experiments. Results show that the microneedles can penetrate into skin, delivering liquid successfully without any breakage or severe deformation. Techniques presented in this paper can be used to fabricate sharp tipped plastic hollow microneedle arrays massively with low cost. (paper)

Interfacial Thermal Transport via One-Dimensional Atomic Junction Model

Directory of Open Access Journals (Sweden)

Guohuan Xiong

2018-03-01

Full Text Available In modern information technology, as integration density increases rapidly and the dimension of materials reduces to nanoscale, interfacial thermal transport (ITT has attracted widespread attention of scientists. This review introduces the latest theoretical development in ITT through one-dimensional (1D atomic junction model to address the thermal transport across an interface. With full consideration of the atomic structures in interfaces, people can apply the 1D atomic junction model to investigate many properties of ITT, such as interfacial (Kapitza resistance, nonlinear interface, interfacial rectification, and phonon interference, and so on. For the ballistic ITT, both the scattering boundary method (SBM and the non-equilibrium Green’s function (NEGF method can be applied, which are exact since atomic details of actual interfaces are considered. For interfacial coupling case, explicit analytical expression of transmission coefficient can be obtained and it is found that the thermal conductance maximizes at certain interfacial coupling (harmonic mean of the spring constants of the two leads and the transmission coefficient is not a monotonic decreasing function of phonon frequency. With nonlinear interaction—phonon–phonon interaction or electron–phonon interaction at interface, the NEGF method provides an efficient way to study the ITT. It is found that at weak linear interfacial coupling, the nonlinearity can improve the ITT, but it depresses the ITT in the case of strong-linear coupling. In addition, the nonlinear interfacial coupling can induce thermal rectification effect. For interfacial materials case which can be simulated by a two-junction atomic chain, phonons show interference effect, and an optimized thermal coupler can be obtained by tuning its spring constant and atomic mass.

Hydrogen atom moving across a magnetic field

International Nuclear Information System (INIS)

Lozovik, Yu.E.; Volkov, S.Yu.

2004-01-01

A hydrogen atom moving across a magnetic field is considered in a wide region of magnitudes of magnetic field and atom momentum. We solve the Schroedinger equation of the system numerically using an imaginary time method and find wave functions of the lowest states of atom. We calculate the energy and the mean electron-nucleus separation as a function of atom momentum and magnetic field. All the results obtained could be summarized as a phase diagram on the 'atom-momentum - magnetic-field' plane. There are transformations of wave-function structure at critical values of atom momentum and magnetic field that result in a specific behavior of dependencies of energy and mean interparticle separation on the atom momentum P. We discuss a transition from the Zeeman regime to the high magnetic field regime. A qualitative analysis of the complicated behavior of wave functions vs P based on the effective potential examination is given. We analyze a sharp transition at the critical momentum from a Coulomb-type state polarized due to atom motion to a strongly decentered (Landau-type) state at low magnetic fields. A crossover occurring at intermediate magnetic fields is also studied

Atomically resolved tissue integration.

Science.gov (United States)

Karlsson, Johan; Sundell, Gustav; Thuvander, Mattias; Andersson, Martin

2014-08-13

In the field of biomedical technology, a critical aspect is the ability to control and understand the integration of an implantable device in living tissue. Despite the technical advances in the development of biomaterials, the elaborate interplay encompassing materials science and biology on the atomic level is not very well understood. Within implantology, anchoring a biomaterial device into bone tissue is termed osseointegration. In the most accepted theory, osseointegration is defined as an interfacial bonding between implant and bone; however, there is lack of experimental evidence to confirm this. Here we show that atom probe tomography can be used to study the implant-tissue interaction, allowing for three-dimensional atomic mapping of the interface region. Interestingly, our analyses demonstrated that direct contact between Ca atoms and the implanted titanium oxide surface is formed without the presence of a protein interlayer, which means that a pure inorganic interface is created, hence giving experimental support to the current theory of osseointegration. We foresee that this result will be of importance in the development of future biomaterials as well as in the design of in vitro evaluation techniques.

Sharp Efficiency for Vector Equilibrium Problems on Banach Spaces

Directory of Open Access Journals (Sweden)

Si-Huan Li

2013-01-01

Full Text Available The concept of sharp efficient solution for vector equilibrium problems on Banach spaces is proposed. Moreover, the Fermat rules for local efficient solutions of vector equilibrium problems are extended to the sharp efficient solutions by means of the Clarke generalized differentiation and the normal cone. As applications, some necessary optimality conditions and sufficient optimality conditions for local sharp efficient solutions of a vector optimization problem with an abstract constraint and a vector variational inequality are obtained, respectively.

Sharp foreign body ingestion by a young girl

African Journals Online (AJOL)

Riyadh Mohamad Hasan

2017-06-09

Jun 9, 2017 ... Sharp foreign body ingestion by a young girl. Riyadh Mohamad Hasan. University of Baghdad ... ray imaging and retrieved with the aid of C-arm fluoroscope at a laparotomy. Her postoperative period ... In our patient the foreign bodies were long sharp ones (sewing needles). Foreign body ingestion can be ...

Magnetic structure of the spin valve interface

International Nuclear Information System (INIS)

Nicholson, D.M.C.; Butler, W.H.; Zhang, X.; MacLaren, J.M.; Gurney, B.A.; Speriosu, V.S.

1994-01-01

Nonferromagnetic atoms present at Ni/Cu and Permalloy/Cu interfaces in sputtered spin valve magnetoresistive layered structures have been shown to cause reduced magnetoresistance. Here we show that a model in which the moments on the Ni atoms in the interfacial region of Ni/Cu are reduced substantially by interdiffusion with Cu is consistent with the experimental results. In contrast, we believe that moments persist at the permalloy/Cu interface, which first principle total energy calculations suggest will be disordered at finite temperatures. These reduced or disordered moments are expected to significantly reduce the GMR

Research on condensed matter and atomic physics, using major experimental facilities and devices: Physics, chemistry, biology. Reports on results. Vol. 1. 1. Atomic and molecular physics. 2. Physics and chemistry of surfaces and interfaces

International Nuclear Information System (INIS)

1993-01-01

This report in three volumes substantiates the contents of the programme survey published in September 1989. The progress reports cover the following research areas: Vol. I, (1). Atomic and molecular physics - free atoms, molecules, macromolecules, clusters, matrix-isolated atoms and molecules. (2) Physics and chemistry of surfaces and interfaces - epitaxy, surface structure, adsorption, electrical, magnetic, and optical properties, thin films, synthetic layer structure. Vol. II, (3). Solid-state physics, and materials science -structural research, lattice dynamics, magnetic structure and dynamics, electronic states; load; spin and pulse density fluctuations; diffusion and internal motion, defects, unordered systems and liquids. Vol. III, (4). Chemistry - bonding and structure, kinetics and reaction mechanisms, polymer research, analysis and synthesis. (5). Biology, - structure and dynamics of biological macromolecules, membrane and cell biology. (6) Development of methods and instruments - neutron sources, synchrotron sources, special accelerators, research with interlinked systems and devices. (orig.) [de

Quantum information with Rydberg atoms

DEFF Research Database (Denmark)

Saffman, Mark; Walker, T.G.; Mølmer, Klaus

2010-01-01

Rydberg atoms with principal quantum number n»1 have exaggerated atomic properties including dipole-dipole interactions that scale as n4 and radiative lifetimes that scale as n3. It was proposed a decade ago to take advantage of these properties to implement quantum gates between neutral atom...... of multiqubit registers, implementation of robust light-atom quantum interfaces, and the potential for simulating quantum many-body physics. The advances of the last decade are reviewed, covering both theoretical and experimental aspects of Rydberg-mediated quantum information processing....

Solar wind stream interfaces

International Nuclear Information System (INIS)

Gosling, J.T.; Asbridge, J.R.; Bame, S.J.; Feldman, W.C.

1978-01-01

Measurements aboard Imp 6, 7, and 8 reveal that approximately one third of all high-speed solar wind streams observed at 1 AU contain a sharp boundary (of thickness less than approx.4 x 10 4 km) near their leading edge, called a stream interface, which separates plasma of distinctly different properties and origins. Identified as discontinuities across which the density drops abruptly, the proton temperature increases abruptly, and the speed rises, stream interfaces are remarkably similar in character from one stream to the next. A superposed epoch analysis of plasma data has been performed for 23 discontinuous stream interfaces observed during the interval March 1971 through August 1974. Among the results of this analysis are the following: (1) a stream interface separates what was originally thick (i.e., dense) slow gas from what was originally thin (i.e., rare) fast gas; (2) the interface is the site of a discontinuous shear in the solar wind flow in a frame of reference corotating with the sun; (3) stream interfaces occur at speeds less than 450 km s - 1 and close to or at the maximum of the pressure ridge at the leading edges of high-speed streams; (4) a discontinuous rise by approx.40% in electron temperature occurs at the interface; and (5) discontinuous changes (usually rises) in alpha particle abundance and flow speed relative to the protons occur at the interface. Stream interfaces do not generally recur on successive solar rotations, even though the streams in which they are embedded often do. At distances beyond several astronomical units, stream interfaces should be bounded by forward-reverse shock pairs; three of four reverse shocks observed at 1 AU during 1971--1974 were preceded within approx.1 day by stream interfaces. Our observations suggest that many streams close to the sun are bounded on all sides by large radial velocity shears separating rapidly expanding plasma from more slowly expanding plasma

Improved interface properties of atomic-layer-deposited HfO{sub 2} film on InP using interface sulfur passivation with H{sub 2}S pre-deposition annealing

Energy Technology Data Exchange (ETDEWEB)

Jin, Hyun Soo [Department of Materials Science & Engineering, Hanyang University, Ansan 426-791 (Korea, Republic of); Cho, Young Jin [Inorganic Material Lab., Samsung Advanced Institute of Technology, Suwon 443-803 (Korea, Republic of); Department of Materials Science & Engineering and Inter-university Semiconductor Research Center, Seoul National University, Seoul 151-742 (Korea, Republic of); Seok, Tae Jun; Kim, Dae Hyun; Kim, Dae Woong [Department of Materials Science & Engineering, Hanyang University, Ansan 426-791 (Korea, Republic of); Lee, Sang-Moon [Process Development Team, Semiconductor R& D Center, Samsung Electronics Co. Ltd, Hwasung 445-701 (Korea, Republic of); Park, Jong-Bong; Yun, Dong-Jin [Analytical Engineering Group, Platform Technology Lab., Samsung Advanced Institute of Technology, Suwon 443-803 (Korea, Republic of); Kim, Seong Keun [Center for Electronic Materials, Korea Institute of Science and Technology, Seoul 136-791 (Korea, Republic of); Hwang, Cheol Seong, E-mail: cheolsh@snu.ac.kr [Department of Materials Science & Engineering and Inter-university Semiconductor Research Center, Seoul National University, Seoul 151-742 (Korea, Republic of); Park, Tae Joo, E-mail: tjp@hanyang.ac.kr [Department of Materials Science & Engineering, Hanyang University, Ansan 426-791 (Korea, Republic of)

2015-12-01

Highlights: • ALD HfO{sub 2} films were grown on InP for III–V compound-semiconductor-based devices. • S passivation was performed with (NH{sub 4}){sub 2}S solution and annealing under a H{sub 2}S atmosphere. • The H{sub 2}S annealing provided similar S profiles at the interface without surface damage. • The H{sub 2}S annealing was more effective to suppress interface state density due to thermal energy. - Abstract: Surface sulfur (S) passivation on InP substrate was performed using a dry process – rapid thermal annealing under H{sub 2}S atmosphere for III–V compound-semiconductor-based devices. The electrical properties of metal-oxide-semiconductor capacitor fabricated with atomic-layer-deposited HfO{sub 2} film as a gate insulator were examined, and were compared with the similar devices with S passivation using a wet process – (NH{sub 4}){sub 2}S solution treatment. The H{sub 2}S annealing provided solid S passivation with the strong resistance against oxidation compared with the (NH{sub 4}){sub 2}S solution treatment, although S profiles at the interface of HfO{sub 2}/InP were similar. The decrease in electrical thickness of the gate insulator by S passivation was similar for both methods. However, the H{sub 2}S annealing was more effective to suppress interface state density near the valence band edge, because thermal energy during the annealing resulted in stronger S bonding and InP surface reconstruction. Moreover, the flatband voltage shift by constant voltage stress was lower for the device with H{sub 2}S annealing.

Surfaces and interfaces of electronic materials

CERN Document Server

Brillson, Leonard J

2012-01-01

An advanced level textbook covering geometric, chemical, and electronic structure of electronic materials, and their applications to devices based on semiconductor surfaces, metal-semiconductor interfaces, and semiconductor heterojunctions. Starting with the fundamentals of electrical measurements on semiconductor interfaces, it then describes the importance of controlling macroscopic electrical properties by atomic-scale techniques. Subsequent chapters present the wide range of surface and interface techniques available to characterize electronic, optical, chemical, and structural propertie

Atomic species recognition on oxide surfaces using low temperature scanning probe microscopy

Energy Technology Data Exchange (ETDEWEB)

Ma, Zong Min, E-mail: mzmncit@163.com [National Key Laboratory for Electronic Measurement Technology, North University of China, Taiyuan, 030051 (China); Key Laboratory of Instrumentation Science & Dynamic Measurement, North University of China, Ministry of Education, Taiyuan, 030051 (China); School of Instrument and Electronics, North University of China, Taiyuan, 030051 (China); Shi, Yun Bo; Mu, Ji Liang; Qu, Zhang; Zhang, Xiao Ming; Qin, Li [National Key Laboratory for Electronic Measurement Technology, North University of China, Taiyuan, 030051 (China); Key Laboratory of Instrumentation Science & Dynamic Measurement, North University of China, Ministry of Education, Taiyuan, 030051 (China); School of Instrument and Electronics, North University of China, Taiyuan, 030051 (China); Liu, Jun, E-mail: liuj@nuc.edu.cn [National Key Laboratory for Electronic Measurement Technology, North University of China, Taiyuan, 030051 (China); Key Laboratory of Instrumentation Science & Dynamic Measurement, North University of China, Ministry of Education, Taiyuan, 030051 (China); School of Instrument and Electronics, North University of China, Taiyuan, 030051 (China)

2017-02-01

Highlights: • The coexisted phase of p(2 × 1)and c(6 × 2) on Cu(110)-O surface using AFM under UHV at low temperature. • Two different c(6 × 2) phase depending on the status of the tip apex. • Electronic state of tip seriously effect the resolution and stability of the sample surface. - Abstract: In scanning probe microscopy (SPM), the chemical properties and sharpness of the tips of the cantilever greatly influence the scanning of a sample surface. Variation in the chemical properties of the sharp tip apex can induce transformation of the SPM images. In this research, we explore the relationship between the tip and the structure of a sample surface using dynamic atomic force microscopy (AFM) on a Cu(110)-O surface under ultra-high vacuum (UHV) at low temperature (78 K). We observed two different c(6 × 2) phase types in which super-Cu atoms show as a bright spot when the tip apex is of O atoms and O atoms show as a bright spot when the tip apex is of Cu atoms. We also found that the electronic state of the tip has a serious effect on the resolution and stability of the sample surface, and provide an explanation for these phenomena. This technique can be used to identify atom species on sample surfaces, and represents an important development in the SPM technique.

Time-clustering behavior of sharp fluctuation sequences in Chinese stock markets

International Nuclear Information System (INIS)

Yuan Ying; Zhuang Xintian; Liu Zhiying; Huang Weiqiang

2012-01-01

Sharp fluctuations (in particular, extreme fluctuations) of asset prices have a great impact on financial markets and risk management. Therefore, investigating the time dynamics of sharp fluctuation is a challenge in the financial fields. Using two different representations of the sharp fluctuations (inter-event times and series of counts), the time clustering behavior in the sharp fluctuation sequences of stock markets in China is studied with several statistical tools, including coefficient of variation, Allan Factor, Fano Factor as well as R/S (rescaled range) analysis. All of the empirical results indicate that the time dynamics of the sharp fluctuation sequences can be considered as a fractal process with a high degree of time-clusterization of the events. It can help us to get a better understanding of the nature and dynamics of sharp fluctuation of stock price in stock markets.

The crystal structure of the Split End protein SHARP adds a new layer of complexity to proteins containing RNA recognition motifs.

Science.gov (United States)

Arieti, Fabiana; Gabus, Caroline; Tambalo, Margherita; Huet, Tiphaine; Round, Adam; Thore, Stéphane

2014-06-01

The Split Ends (SPEN) protein was originally discovered in Drosophila in the late 1990s. Since then, homologous proteins have been identified in eukaryotic species ranging from plants to humans. Every family member contains three predicted RNA recognition motifs (RRMs) in the N-terminal region of the protein. We have determined the crystal structure of the region of the human SPEN homolog that contains these RRMs-the SMRT/HDAC1 Associated Repressor Protein (SHARP), at 2.0 Å resolution. SHARP is a co-regulator of the nuclear receptors. We demonstrate that two of the three RRMs, namely RRM3 and RRM4, interact via a highly conserved interface. Furthermore, we show that the RRM3-RRM4 block is the main platform mediating the stable association with the H12-H13 substructure found in the steroid receptor RNA activator (SRA), a long, non-coding RNA previously shown to play a crucial role in nuclear receptor transcriptional regulation. We determine that SHARP association with SRA relies on both single- and double-stranded RNA sequences. The crystal structure of the SHARP-RRM fragment, together with the associated RNA-binding studies, extend the repertoire of nucleic acid binding properties of RRM domains suggesting a new hypothesis for a better understanding of SPEN protein functions. © The Author(s) 2014. Published by Oxford University Press on behalf of Nucleic Acids Research.

Atomic modifications by synchrotron radiation at the calcite-ethanol interface

DEFF Research Database (Denmark)

Pasarín, I. S.; Bovet, Nicolas Emile; Glyvradal, Magni

2012-01-01

-mineral interfaces where the polar OH group, as present in ethanol, plays a key role in their molecular structure and bonding. Also, the chemical evolution observed in the interface provides new insight into the behavior of some complex organic molecules involved in biomineralization processes....

Magnonic band gaps in two-dimension magnonic crystals with diffuse interfaces

International Nuclear Information System (INIS)

Wang, Qi; Zhang, Huaiwu; Ma, Guokun; Tang, Xiaoli; Liao, Yulong; Zhong, Zhiyong

2014-01-01

In this paper, the plane wave method is extended to include the diffuse interface in the calculation of the dispersion of spin waves in two-dimension magnonic crystals. The diffuse interfaces with linear and sinusoidal profiles of variation in the spontaneous magnetization and exchange constant are considered and the effects of the thicknesses and profiles of diffuse interfaces on the magnonic band gaps are investigated. The results show that the thicknesses and profiles of diffuse interfaces are clearly seen to play a significant role in determining the size and position of the magnonic band gaps in the both square and triangular lattices in the exchange interaction regime. The smooth (linear or sinusoidal) interface does not lead to disappearance of the band gaps, instead it may lead to larger band gaps than those in the model with sharp (infinitely thin) diffuse interface under certain conditions

Distribution of quantum information between an atom and two photons

International Nuclear Information System (INIS)

Weber, Bernhard

2008-01-01

The construction of networks consisting of optically interconnected processing units is a promising way to scale up quantum information processing systems. To store quantum information, single trapped atoms are among the most proven candidates. By placing them in high finesse optical resonators, a bidirectional information exchange between the atoms and photons becomes possible with, in principle, unit efficiency. Such an interface between stationary and ying qubits constitutes a possible node of a future quantum network. The results presented in this thesis demonstrate the prospects of a quantum interface consisting of a single atom trapped within the mode of a high-finesse optical cavity. In a two-step process, we distribute entanglement between the stored atom and two subsequently emitted single photons. The long atom trapping times achieved in the system together with the high photon collection efficiency of the cavity make the applied protocol in principle deterministic, allowing for the creation of an entangled state at the push of a button. Running the protocol on this quasi-stationary quantum interface, the internal state of the atom is entangled with the polarization state of a single emitted photon. The entanglement is generated by driving a vacuum-stimulated Raman adiabatic passage between states of the coupled atom-cavity system. In a second process, the atomic part of the entangled state is mapped onto a second emitted photon using a similar technique and resulting in a polarization-entangled two-photon state. To verify and characterize the photon-photon entanglement, we measured a violation of a Bell inequality and performed a full quantum state tomography. The results prove the prior atom-photon entanglement and demonstrate a quantum information transfer between the atom and the two emitted photons. This reflects the advantages of a high-finesse cavity as a quantum interface in future quantum networks. (orig.)

Distribution of quantum information between an atom and two photons

Energy Technology Data Exchange (ETDEWEB)

Weber, Bernhard

2008-11-03

The construction of networks consisting of optically interconnected processing units is a promising way to scale up quantum information processing systems. To store quantum information, single trapped atoms are among the most proven candidates. By placing them in high finesse optical resonators, a bidirectional information exchange between the atoms and photons becomes possible with, in principle, unit efficiency. Such an interface between stationary and ying qubits constitutes a possible node of a future quantum network. The results presented in this thesis demonstrate the prospects of a quantum interface consisting of a single atom trapped within the mode of a high-finesse optical cavity. In a two-step process, we distribute entanglement between the stored atom and two subsequently emitted single photons. The long atom trapping times achieved in the system together with the high photon collection efficiency of the cavity make the applied protocol in principle deterministic, allowing for the creation of an entangled state at the push of a button. Running the protocol on this quasi-stationary quantum interface, the internal state of the atom is entangled with the polarization state of a single emitted photon. The entanglement is generated by driving a vacuum-stimulated Raman adiabatic passage between states of the coupled atom-cavity system. In a second process, the atomic part of the entangled state is mapped onto a second emitted photon using a similar technique and resulting in a polarization-entangled two-photon state. To verify and characterize the photon-photon entanglement, we measured a violation of a Bell inequality and performed a full quantum state tomography. The results prove the prior atom-photon entanglement and demonstrate a quantum information transfer between the atom and the two emitted photons. This reflects the advantages of a high-finesse cavity as a quantum interface in future quantum networks. (orig.)

Deducing 2D Crystal Structure at the Solid/Liquid Interface with Atomic Resolution by Combined STM and SFG Study

Science.gov (United States)

McClelland, Arthur; Ahn, Seokhoon; Matzger, Adam J.; Chen, Zhan

2009-03-01

Supplemented by computed models, Scanning Tunneling Microscopy (STM) can provide detailed structure of 2D crystals formed at the liquid/solid interface with atomic resolution. However, some structural information such as functional group orientations in such 2D crystals needs to be tested experimentally to ensure the accuracy of the deduced structures. Due to the limited sensitivity, many other experimental techniques such as Raman and infrared spectroscopy have not been allowed to provide such structural information of 2D crystals. Here we showed that Sum Frequency Generation Vibrational Spectroscopy (SFG) can measure average orientation of functional groups in such 2D crystals, or physisorbed monolayers, providing key experimental data to aid in the modeling and interpretation of the STM images. The usefulness of combining these two techniques is demonstrated with a phthalate diesters monolayer formed at the 1-phenyloctane/ highly oriented pyrolytic graphite (HOPG) interface. The spatial orientation of the ester C=O of the monolayer was successfully determined using SFG.

SHARP {Summer High School Apprenticeship Research Program}

Science.gov (United States)

Glasco, Deborah (Technical Monitor)

2002-01-01

The Year 2002 was another successful year for SHARP. Even after 22 years of SHARP, the Program continues to grow. There were 12 NASA Field Installations with a total of 210 apprentices who participated in the summer 2002 Program supported by 215 mentors in the fields of science and engineering. The apprentices were chosen from a pool of 1,379 applicants. This was a record year for applications exceeding the previous year by over 60%. For the second consecutive year, the number of female participants exceeded the number of males with 53% female and 47% male participants in the program. The main thrust of our recruiting efforts is still focused on underrepresented populations; especially African American, Hispanic, and Native American. At the conclusion of the summer program, most SHARP Apprentices indicated on the EDCATS that they would be interested in pursuing careers in Aerospace (56.2%) while the second largest career choice was a job at NASA (45.7%). The smallest number (11.9%) were interested in careers in the government. The table of responses is listed in the Appendix. Once again this year we were fortunate in that the SHARP COTR, Ms. Deborah Glasco, gained the support of MURED funding sources at NASA to fully fund additional apprentices and boost the number of apprentices to 210.

Atomic-scale friction on stepped surfaces of ionic crystals.

Science.gov (United States)

Steiner, Pascal; Gnecco, Enrico; Krok, Franciszek; Budzioch, Janusz; Walczak, Lukasz; Konior, Jerzy; Szymonski, Marek; Meyer, Ernst

2011-05-06

We report on high-resolution friction force microscopy on a stepped NaCl(001) surface in ultrahigh vacuum. The measurements were performed on single cleavage step edges. When blunt tips are used, friction is found to increase while scanning both up and down a step edge. With atomically sharp tips, friction still increases upwards, but it decreases and even changes sign downwards. Our observations extend previous results obtained without resolving atomic features and are associated with the competition between the Schwöbel barrier and the asymmetric potential well accompanying the step edges.

Threshold law for positron-atom impact ionisation

International Nuclear Information System (INIS)

Temkin, A.

1982-01-01

The threshold law for ionisation of atoms by positron impact is adduced in analogy with the author's approach to the electron-atom ionisation. It is concluded the Coulomb-dipole region of potential gives the essential part of the interaction in both cases and leads to the same kind of result: a modulated linear law. An additional process which enters positron ionisation is positronium formation in the continuum, but that will not dominate the threshold yield. The result is in sharp contrast to the positron threshold law as recently derived by Klar (J. Phys. B.; 14:4165 (1981)) on the basis of a Wannier-type (Phys. Rev.; 90:817 (1953)) analysis. (author)

First-principles calculations on Mg/Al2CO interfaces

International Nuclear Information System (INIS)

Wang, F.; Li, K.; Zhou, N.G.

2013-01-01

The electronic structure, work of adhesion, and interfacial energy of the Mg(0 0 0 2)/Al 2 CO(0 0 0 1) interface were studied with the first-principles calculations to clarify the heterogeneous nucleation potential of Al 2 CO particles in Mg melt. AlO-terminated Al 2 CO(0 0 0 1) slabs with seven atomic layers were adopted for interfacial model geometries. Results show that the “Over O” stacking interface is more stable than the “Over Al” stacking interface due to the larger interfacial adhesion and stronger mixed ionic/metallic bond formed across the interface. The calculated interfacial energies of Mg/Al 2 CO depend on the value of Δμ Al + Δμ C , proving Al 2 CO particles can exist stably in Mg–Al alloys melt and become effective nucleation substrate for α-Mg grain under certain conditions. The above calculation and corresponding analysis provide strong theoretical support to the Al 2 CO nucleus hypothesis from interfacial atomic structure and atomic bonding energy considerations.

Structure and chemistry of the Si(111)/AlN interface

Science.gov (United States)

Radtke, G.; Couillard, M.; Botton, G. A.; Zhu, D.; Humphreys, C. J.

2012-01-01

We investigate the atomic structure and the chemistry of the Si(111)/AlN interface for an AlN film grown at low-temperature (735 °C) by metalorganic vapor phase epitaxy. A heterogeneous interface is formed from the alternation of crystallographically abrupt and partly amorphous regions. The polarity of the AlN film, along with the projected atomic structure of the crystalline interface, is retrieved using high-angle annular dark field imaging, and a model, based on these experimental observations, is proposed for the bonding at the interface. Electron energy-loss spectrum-imaging, however, also reveals a chemical intermixing, placing our growth conditions at the onset of SiNx interlayer formation.

First-principles study on ferrite/TiC heterogeneous nucleation interface

International Nuclear Information System (INIS)

Yang, Jian; Zhang, Pengfei; Zhou, Yefei; Guo, Jing; Ren, Xuejun; Yang, Yulin; Yang, Qingxiang

2013-01-01

Highlights: ► Interface stability of ferrite (1 0 0)/TiC (1 0 0) was studied. ► The effectiveness of TiC as the heterogeneous nuclei of ferrite was analyzed. ► Ti-termination and C-termination are the two binding modes for ferrite/TiC interface. ► Interfacial energy of the Ti-termination is larger than that of the C-termination. ► On C-termination, ability of TiC promotes ferrite heterogeneous nucleation is strong. -- Abstract: Interface atomic structure, bonding character, cohesive energy and interfacial energy of ferrite (1 0 0)/TiC (1 0 0) were studied using a first-principles density functional plane-wave ultrasoft pseudopotential method. Meanwhile, the effectiveness of TiC as the heterogeneous nuclei of ferrite was analyzed. The results indicated that, TiC bonding is dominated by the C-2p, C-2s and Ti-3d electrons, which exhibits high covalency. With increase of the atomic layers, the interfacial energies of ferrite and TiC are both declined rapidly and stabilized gradually. There are two binding modes for TiC as the heterogeneous nuclei of ferrite, which are Fe atoms above the Ti atoms (Ti-termination) and Fe atoms above the C atoms (C-termination). Interfacial energy of the Ti-termination is larger than that of the C-termination, which means that for Fe atoms above the C atoms, the ability of TiC promotes ferrite heterogeneous nucleation on its surface is larger than that for Fe atoms above the Ti atoms

Optimized coplanar waveguide resonators for a superconductor–atom interface

Energy Technology Data Exchange (ETDEWEB)

Beck, M. A., E-mail: mabeck2@wisc.edu; Isaacs, J. A.; Booth, D.; Pritchard, J. D.; Saffman, M.; McDermott, R. [Department of Physics, University Of Wisconsin-Madison, 1150 University Avenue, Madison, Wisconsin 53706 (United States)

2016-08-29

We describe the design and characterization of superconducting coplanar waveguide cavities tailored to facilitate strong coupling between superconducting quantum circuits and single trapped Rydberg atoms. For initial superconductor–atom experiments at 4.2 K, we show that resonator quality factors above 10{sup 4} can be readily achieved. Furthermore, we demonstrate that the incorporation of thick-film copper electrodes at a voltage antinode of the resonator provides a route to enhance the zero-point electric fields of the resonator in a trapping region that is 40 μm above the chip surface, thereby minimizing chip heating from scattered trap light. The combination of high resonator quality factor and strong electric dipole coupling between the resonator and the atom should make it possible to achieve the strong coupling limit of cavity quantum electrodynamics with this system.

Atomistic simulations of contact area and conductance at nanoscale interfaces.

Science.gov (United States)

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.

First-principles study of the Pd–Si system and Pd(0 0 1)/SiC(0 0 1) hetero-structure

Energy Technology Data Exchange (ETDEWEB)

Turchi, P.E.A. [Lawrence Livermore National Laboratory (L-352), 7000 East Avenue, Livermore, CA 94551 (United States); Ivashchenko, V.I. [Institute of Problems of Materials Science, NAS of Ukraine, Krzhyzhanovsky str. 3, 03142 Kyiv (Ukraine)

2014-11-15

Highlights: • A large atomic mixing at the Pd/Si interface occurs at 1500–1800 K. • The Pd/C interface remains sharp even at the highest temperature of 2100 K. • At the Pd/C interface, voids and a graphite-like clustering are detected. • At the Pd/Si interface C22-Pd{sub 2}Si and D0{sub 11}-Pd{sub 3}Si fragments form, in agreement with experiment. - Abstract: First-principles molecular dynamics simulations of the Pd(0 0 1)/3C–SiC(0 0 1) nano-layered structure were carried out at different temperatures ranging from 300 to 2100 K. Various PdSi (Pnma, Fm3{sup ¯}m, P6{sup ¯}m2, Pm3{sup ¯}m), Pd{sub 2}Si (P6{sup ¯}2m, P6{sub 3}/mmc, P3{sup ¯}m1, P3{sup ¯}1m) and Pd{sub 3}Si (Pnma, P6{sub 3}22, Pm3{sup ¯}m, I4/mmm) structures under pressure were studied to identify the structure of the Pd/Si and Pd/C interfaces in the Pd/SiC systems at high temperatures. It was found that a large atomic mixing at the Pd/Si interface occurred at 1500–1800 K, whereas the Pd/C interface remained sharp even at the highest temperature of 2100 K. At the Pd/C interface, voids and a graphite-like clustering were detected. Palladium and silicon atoms interact at the Pd/Si interface to mostly form C22-Pd{sub 2}Si and D0{sub 11}-Pd{sub 3}Si fragments, in agreement with experiment.

Vertical versus Lateral Two-Dimensional Heterostructures: On the Topic of Atomically Abrupt p/n-Junctions.

Science.gov (United States)

Zhou, Ruiping; Ostwal, Vaibhav; Appenzeller, Joerg

2017-08-09

The key appeal of two-dimensional (2D) materials such as graphene, transition metal dichalcogenides (TMDs), or phosphorene for electronic applications certainly lies in their atomically thin nature that offers opportunities for devices beyond conventional transistors. It is also this property that makes them naturally suited for a type of integration that is not possible with any three-dimensional (3D) material, that is, forming heterostructures by stacking dissimilar 2D materials together. Recently, a number of research groups have reported on the formation of atomically sharp p/n-junctions in various 2D heterostructures that show strong diode-type rectification. In this article, we will show that truly vertical heterostructures do exhibit much smaller rectification ratios and that the reported results on atomically sharp p/n-junctions can be readily understood within the framework of the gate and drain voltage response of Schottky barriers that are involved in the lateral transport.

Interface control of atomic layer deposited oxide coatings by filtered cathodic arc deposited sublayers for improved corrosion protection

Energy Technology Data Exchange (ETDEWEB)

Härkönen, Emma, E-mail: emma.harkonen@helsinki.fi [Laboratory of Inorganic Chemistry, University of Helsinki, P.O. Box 55, FIN-00014 Helsinki (Finland); Tervakangas, Sanna; Kolehmainen, Jukka [DIARC-Technology Inc., Espoo (Finland); Díaz, Belén; Światowska, Jolanta; Maurice, Vincent; Seyeux, Antoine; Marcus, Philippe [Laboratoire de Physico-Chimie des Surfaces, CNRS (UMR 7075) – Chimie ParisTech (ENSCP), F-75005 Paris (France); Fenker, Martin [FEM Research Institute, Precious Metals and Metals Chemistry, D-73525 Schwäbisch Gmünd (Germany); Tóth, Lajos; Radnóczi, György [Research Centre for Natural Sciences HAS, (MTA TKK), Budapest (Hungary); Ritala, Mikko [Laboratory of Inorganic Chemistry, University of Helsinki, P.O. Box 55, FIN-00014 Helsinki (Finland)

2014-10-15

Sublayers grown with filtered cathodic arc deposition (FCAD) were added under atomic layer deposited (ALD) oxide coatings for interface control and improved corrosion protection of low alloy steel. The FCAD sublayer was either Ta:O or Cr:O–Ta:O nanolaminate, and the ALD layer was Al{sub 2}O{sub 3}–Ta{sub 2}O{sub 5} nanolaminate, Al{sub x}Ta{sub y}O{sub z} mixture or graded mixture. The total thicknesses of the FCAD/ALD duplex coatings were between 65 and 120 nm. Thorough analysis of the coatings was conducted to gain insight into the influence of the FCAD sublayer on the overall coating performance. Similar characteristics as with single FCAD and ALD coatings on steel were found in the morphology and composition of the duplex coatings. However, the FCAD process allowed better control of the interface with the steel by reducing the native oxide and preventing its regrowth during the initial stages of the ALD process. Residual hydrocarbon impurities were buried in the interface between the FCAD layer and steel. This enabled growth of ALD layers with improved electrochemical sealing properties, inhibiting the development of localized corrosion by pitting during immersion in acidic NaCl and enhancing durability in neutral salt spray testing. - Highlights: • Corrosion protection properties of ALD coatings were improved by FCAD sublayers. • The FCAD sublayer enabled control of the coating-substrate interface. • The duplex coatings offered improved sealing properties and durability in NSS. • The protective properties were maintained during immersion in a corrosive solution. • The improvements were due to a more ideal ALD growth on the homogeneous FCAD oxide.

An atomistic analysis of the interface mobility in a massive transformation

International Nuclear Information System (INIS)

Bos, C.; Sommer, F.; Mittemeijer, E.J.

2005-01-01

A new multi-lattice kinetic Monte Carlo method has been used for an atomistic study on the interpretation of the interface mobility parameter for a massive face-centred cubic (fcc) to body-centred cubic (bcc) transformation in a single element system. For lateral growth of bcc in a system with an fcc(111)//bcc(110) and fcc[112-bar ]//bcc[001-bar ] interface orientation the overall activation energy for the interface mobility parameter is governed by energetically unfavourable atomic jumps. The atoms on the fcc lattice often cannot jump directly to bcc lattice sites because neighbouring atoms block the empty bcc sites. By single unfavourable jumps and by groups of unfavourable jumps a path from fcc to bcc is created. The necessity of these unfavourable jumps leads to an overall activation energy considerably larger than the activation energy barrier for a single atomic jump

The impact of sharps injuries on student nurses: a systematic review.

Science.gov (United States)

Hambridge, Kevin; Nichols, Andrew; Endacott, Ruth

2016-10-27

The purpose of this review was to discover the impact of sharps injuries in the student nurse population. Much is known and reported about sharps injuries in registered nurses, but there has been a lack of published evidence regarding sharps injuries within the student nurse population. A systematic review of nursing, health and psychology databases was conducted. The limits set were publications between 1980 and 2014 in the English language. Studies were identified then, following a rigorous critical and quality appraisal with validated tools, were selected for the systematic review. A total of 40 articles met the inclusion criteria, reporting studies conducted in 18 countries. Psychological and physical impacts of sharps injuries in student nurses were reported, such as fear, anxiety and depression, although these impacts were not quantified using a validated instrument. The impact of sharps injuries can be severe, both psychological and physical. This systematic review shows that further research is needed into this, especially in under-researched areas such as the UK, to establish the impact of sharps injuries within this population. Further research would also aid the education and prevention of this harmful problem. The review also emphasises the psychological issues relating to sharps injuries, the impact these can have on individuals and the support and counselling that student nurses require after injury. These findings highlight the potential psychological issues that can result from sharps injuries in this population.

End-point sharpness in thermometric titrimetry.

Science.gov (United States)

Tyrrell, H J

1967-07-01

It is shown that the sharpness of an end-point in a thermometric titration where the simple reaction A + B right harpoon over left harpoon AB takes place, depends on Kc(A') where K is the equilibrium constant for the reaction, and c(A') is the total concentration of the titrand (A) in the reaction mixture. The end-point is sharp if, (i) the enthalpy change in the reaction is not negligible, and (ii) Kc(A') > 10(3). This shows that it should, for example, be possible to titrate 0.1 M acid, pK(A) = 10, using a thennometric end-point. Some aspects of thermometric titrimetry when Kc(A') < 10(3) are also considered.

An interface between the nuclear physics and the atomic physics; how to measure nuclear times observing atomic transitions

International Nuclear Information System (INIS)

Pinho, A.G. de

1985-01-01

Recent observations are related in which processes resulting from the ionization in ion-atom collisions are observed in coincidence with nuclear processes (where the incidence ion nucleus hits the target atom nucleus). The delay introduced by the nuclear reaction contaminates the results of the atomic collision and manifest itself either in the X rays (positrons) emitted in the joined atom system or in the X rays (Auger electrons) emitted by separeted atoms, after the collision. Both effects serve to obtain information on the reaction times (in general much less then 10 -16 sec). Following this line, other experimental possibilities are discussed. (L.C.) [pt

Peculiarities of spin polarization inversion at a thiophene/cobalt interface

KAUST Repository

Wang, Xuhui

2013-03-20

We perform ab initio calculations to investigate the spin polarization at the interface between a thiophene molecule and cobalt substrate. We find that the reduced symmetry in the presence of a sulfur atom (in the thiophene molecule) leads to a strong spatial dependence of the spin polarization of the molecule. The two carbon atoms far from the sulfur acquire a polarization opposite to that of the substrate, while the carbon atoms bonded directly to sulfur possess the same polarization as the substrate. We determine the origin of this peculiar spin interface property as well as its impact on the spin transport.

Mechanisms of heterogeneous crystal growth in atomic systems: insights from computer simulations.

Science.gov (United States)

Gulam Razul, M S; Hendry, J G; Kusalik, P G

2005-11-22

In this paper we analyze the atomic-level structure of solid/liquid interfaces of Lennard-Jones fcc systems. The 001, 011, and 111 faces are examined during steady-state growth and melting of these crystals. The mechanisms of crystallization and melting are explored using averaged configurations generated during these steady-state runs, where subsequent tagging and labeling of particles at the interface provide many insights into the detailed atomic behavior at the freezing and melting interfaces. The interfaces are generally found to be rough and we observe the structure of freezing and melting interfaces to be very similar. Large structural fluctuations with solidlike and liquidlike characteristics are apparent in both the freezing and melting interfaces. The behavior at the interface observed under either growth or melting conditions reflects a competition between ordering and disordering processes. In addition, we observe atom hopping that imparts liquidlike characteristics to the solid side of the interfaces for all three crystal faces. Solid order is observed to extend as rough, three-dimensional protuberances through the interface, particularly for the 001 and 011 faces. We are also able to reconcile our different measures for the interfacial width and address the onset of asymmetry in the growth rates at high rates of crystal growth/melting.

Improved interface and electrical properties of atomic layer deposited Al2O3/4H-SiC

Science.gov (United States)

Suvanam, Sethu Saveda; Usman, Muhammed; Martin, David; Yazdi, Milad. G.; Linnarsson, Margareta; Tempez, Agnès; Götelid, Mats; Hallén, Anders

2018-03-01

In this paper we demonstrate a process optimization of atomic layer deposited Al2O3 on 4H-SiC resulting in an improved interface and electrical properties. For this purpose the samples have been treated with two pre deposition surface cleaning processes, namely CP1 and CP2. The former is a typical surface cleaning procedure used in SiC processing while the latter have an additional weak RCA1 cleaning step. In addition to the cleaning and deposition, the effects of post dielectric annealing (PDA) at various temperatures in N2O ambient have been investigated. Analyses by scanning electron microscopy show the presence of structural defects on the Al2O3 surface after annealing at 500 and 800 °C. These defects disappear after annealing at 1100 °C, possibly due to densification of the Al2O3 film. Interface analyses have been performed using X-ray photoelectron spectroscopy (XPS) and time-of-flight medium energy ion scattering (ToF MEIS). Both these measurements show the formation of an interfacial SiOx (0 < x < 2) layer for both the CP1 and CP2, displaying an increased thickness for higher temperatures. Furthermore, the quality of the sub-oxide interfacial layer was found to depend on the pre deposition cleaning. In conclusion, an improved interface with better electrical properties is shown for the CP2 sample annealed at 1100 °C, resulting in lower oxide charges, strongly reduced flatband voltage and leakage current, as well as higher breakdown voltage.

The Next Generation of Ground Operations Command and Control; Scripting in C Sharp and Visual Basic

Science.gov (United States)

Ritter, George; Pedoto, Ramon

2010-01-01

This slide presentation reviews the use of scripting languages in Ground Operations Command and Control. It describes the use of scripting languages in a historical context, the advantages and disadvantages of scripts. It describes the Enhanced and Redesigned Scripting (ERS) language, that was designed to combine the features of a scripting language and the graphical and IDE richness of a programming language with the utility of scripting languages. ERS uses the Microsoft Visual Studio programming environment and offers custom controls that enable an ERS developer to extend the Visual Basic and C sharp language interface with the Payload Operations Integration Center (POIC) telemetry and command system.

Theoretical atomic physics code development I: CATS: Cowan Atomic Structure Code

International Nuclear Information System (INIS)

Abdallah, J. Jr.; Clark, R.E.H.; Cowan, R.D.

1988-12-01

An adaptation of R.D. Cowan's Atomic Structure program, CATS, has been developed as part of the Theoretical Atomic Physics (TAPS) code development effort at Los Alamos. CATS has been designed to be easy to run and to produce data files that can interface with other programs easily. The CATS produced data files currently include wave functions, energy levels, oscillator strengths, plane-wave-Born electron-ion collision strengths, photoionization cross sections, and a variety of other quantities. This paper describes the use of CATS. 10 refs

Application of Delaunay tessellation for the characterization of solute-rich clusters in atom probe tomography

International Nuclear Information System (INIS)

Lefebvre, W.; Philippe, T.; Vurpillot, F.

2011-01-01

This work presents an original method for cluster selection in Atom Probe Tomography designed to be applied to large datasets. It is based on the calculation of the Delaunay tessellation generated by the distribution of atoms of a selected element. It requires a single input parameter from the user. Furthermore, no prior knowledge of the material is needed. The sensitivity of the proposed Delaunay cluster selection is demonstrated by its application on simulated APT datasets. A strong advantage of the proposed methodology is that it is reinforced by the availability of an analytical model for the distribution of Delaunay cells circumspheres, which is used to control the accuracy of the cluster selection procedure. Another advantage of the Delaunay cluster selection is the direct calculation of a sharp envelope for each identified cluster or precipitate, which leads to the more appropriate morphology of the objects as they are reconstructed in the APT dataset. -- Research Highligthts: →Original method for cluster selection in Atom Probe Tomography. →Delaunay tessellation generated by the distribution of solute atoms. →Direct calculation of a sharp envelope for each identified cluster or precipitate. →Delaunay cluster selection demonstrated by its application on simulated APT datasets.

Magnetism at the V/Gd interface

International Nuclear Information System (INIS)

Mouketo, L; M'Passi-Mabiala, B; Binggeli, N

2010-01-01

Recent experimental investigations into the magnetic properties of V/Gd bilayers have shown that vanadium, which is nonmagnetic in the bulk, can acquire a magnetic moment in such systems. We have performed ab initio pseudopotential calculations to examine the magnetic behavior of V(110)/Gd(0001) bilayers for V layers with thicknesses up to 4 monolayers (ML). We considered both abrupt and atomic intermixed V/Gd interfaces. In both cases, the magnetic moment of the V layer is found to align antiparallel to the moment of the Gd layer, consistent with the experimental observation. However, the magnitude of the V moment at the abrupt interface is considerably smaller than the moments reported experimentally. In the presence of atomic intermixing, instead, substantially larger V moments are found, closer to the experimentally reported moments. On the basis of the calculated atomic and spin resolved density of states, we discuss the possible mechanism responsible for the observed Gd-V antiferromagnetic coupling.

Potential-specific structure at the hematite-electrolyte interface

Energy Technology Data Exchange (ETDEWEB)

McBriarty, Martin E.; Stubbs, Joanne; Eng, Peter; Rosso, Kevin M.

2018-02-21

The atomic-scale structure of interfaces between metal oxides and aqueous electrolytes controls their catalytic, geochemical, and corrosion behavior. Measurements that probe these interfaces in situ provide important details of ion and solvent arrangements, but atomically precise structural models do not exist for common oxide-electrolyte interfaces far from equilibrium. Using a novel cell, we measured the structure of the hematite (a-Fe₂O₃) (110$\\bar{2}$)-electrolyte interface under controlled electrochemical bias using synchrotron crystal truncation rod X ray scattering. At increasingly cathodic potentials, charge-compensating protonation of surface oxygen groups increases the coverage of specifically bound water while adjacent water layers displace outwardly and became disordered. Returning to open circuit potential leaves the surface in a persistent metastable protonation state. The flux of current and ions at applied potential is thus regulated by a unique interfacial electrolyte environment, suggesting that electrical double layer models should be adapted to the dynamically changing interfacial structure far from equilibrium.

XPS Studies of LSCF Interfaces after Cell Testing

Directory of Open Access Journals (Sweden)

Gianfranco DiGiuseppe

2018-01-01

Full Text Available The motivation of this investigation is to explore the possibility of using the depth profile capability of XPS to study interfaces after SOFC button cell testing. The literature uses XPS to study various cathode materials but has devoted little to the understanding of various cathode interfaces especially after testing. In this work, an SOFC button cell is first tested, and then, the LSCF cathode, barrier layer, and electrolyte are sputtered away to study the behavior of different interfaces. This work has shown that some elements have moved into other layers of the SOFC cell. It is argued that the migration of the elements is partly due to a redeposition mechanism after atoms are sputtered away, while the rest is due to interdiffusion between the SDC and YSZ layers. However, additional work is needed to better understand the mechanism by which atoms move around at different interfaces. The cell electrochemical performance is also discussed in some details but is not the focus.

Simulating shock-bubble interactions at water-gelatin interfaces

Science.gov (United States)

Adami, Stefan; Kaiser, Jakob; Bermejo-Moreno, Ivan; Adams, Nikolaus

2016-11-01

Biomedical problems are often driven by fluid dynamics, as in vivo organisms are usually composed of or filled with fluids that (strongly) affected their physics. Additionally, fluid dynamical effects can be used to enhance certain phenomena or destroy organisms. As examples, we highlight the benign potential of shockwave-driven kidney-stone lithotripsy or sonoporation (acoustic cavitation of microbubbles) to improve drug delivery into cells. During the CTR SummerProgram 2016 we have performed axisymmetric three-phase simulations of a shock hitting a gas bubble in water near a gelatin interface mimicking the fundamental process during sonoporation. We used our multi-resolution finite volume method with sharp interface representation (level-set), WENO-5 shock capturing and interface scale-separation and compared the results with a diffuse-interface method. Qualitatively our simulation results agree well with the reference. Due to the interface treatment the pressure profiles are sharper in our simulations and bubble collapse dynamics are predicted at shorter time-scales. Validation with free-field collapse (Rayleigh collapse) shows very good agreement. The project leading to this application has received funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation programme (Grant agreement No 667483).

Hydrogen interaction with ferrite/cementite interface: ab initio calculations and thermodynamics

Science.gov (United States)

Mirzoev, A. A.; Verkhovykh, A. V.; Okishev, K. Yu.; Mirzaev, D. A.

2018-02-01

The paper presents the results of ab initio modelling of the interaction of hydrogen atoms with ferrite/cementite interfaces in steels and thermodynamic assessment of the ability of interfaces to trap hydrogen atoms. Modelling was performed using the density functional theory with generalised gradient approximation (GGA'96), as implemented in WIEN2k package. An Isaichev-type orientation relationship between the two phases was accepted, with a habit plane (101)c ∥ (112)α. The supercell contained 64 atoms (56 Fe and 8 C). The calculated formation energies of ferrite/cementite interface were 0.594 J/m2. The calculated trapping energy at cementite interstitial was 0.18 eV, and at the ferrite/cementite interface - 0.30 eV. Considering calculated zero-point energy, the trapping energies at cementite interstitial and ferrite/cementite interface become 0.26 eV and 0.39 eV, respectively. The values are close to other researchers' data. These results were used to construct a thermodynamic description of ferrite/cementite interface-hydrogen interaction. Absorption calculations using the obtained trapping energy values showed that even thin lamellar ferrite/cementite mixture with an interlamellar spacing smaller than 0.1 μm has noticeable hydrogen trapping ability at a temperature below 400 K.

A protein domain interaction interface database: InterPare

Directory of Open Access Journals (Sweden)

Lee Jungsul

2005-08-01

Full Text Available Abstract Background Most proteins function by interacting with other molecules. Their interaction interfaces are highly conserved throughout evolution to avoid undesirable interactions that lead to fatal disorders in cells. Rational drug discovery includes computational methods to identify the interaction sites of lead compounds to the target molecules. Identifying and classifying protein interaction interfaces on a large scale can help researchers discover drug targets more efficiently. Description We introduce a large-scale protein domain interaction interface database called InterPare http://interpare.net. It contains both inter-chain (between chains interfaces and intra-chain (within chain interfaces. InterPare uses three methods to detect interfaces: 1 the geometric distance method for checking the distance between atoms that belong to different domains, 2 Accessible Surface Area (ASA, a method for detecting the buried region of a protein that is detached from a solvent when forming multimers or complexes, and 3 the Voronoi diagram, a computational geometry method that uses a mathematical definition of interface regions. InterPare includes visualization tools to display protein interior, surface, and interaction interfaces. It also provides statistics such as the amino acid propensities of queried protein according to its interior, surface, and interface region. The atom coordinates that belong to interface, surface, and interior regions can be downloaded from the website. Conclusion InterPare is an open and public database server for protein interaction interface information. It contains the large-scale interface data for proteins whose 3D-structures are known. As of November 2004, there were 10,583 (Geometric distance, 10,431 (ASA, and 11,010 (Voronoi diagram entries in the Protein Data Bank (PDB containing interfaces, according to the above three methods. In the case of the geometric distance method, there are 31,620 inter-chain domain

Effects of sharp vorticity gradients in two-dimensional hydrodynamic turbulence

DEFF Research Database (Denmark)

Kuznetsov, E.A.; Naulin, Volker; Nielsen, Anders Henry

2007-01-01

The appearance of sharp vorticity gradients in two-dimensional hydrodynamic turbulence and their influence on the turbulent spectra are considered. We have developed the analog of the vortex line representation as a transformation to the curvilinear system of coordinates moving together with the ......The appearance of sharp vorticity gradients in two-dimensional hydrodynamic turbulence and their influence on the turbulent spectra are considered. We have developed the analog of the vortex line representation as a transformation to the curvilinear system of coordinates moving together...... with the divorticity lines. Compressibility of this mapping can be considered as the main reason for the formation of the sharp vorticity gradients at high Reynolds numbers. For two-dimensional turbulence in the case of strong anisotropy the sharp vorticity gradients can generate spectra which fall off as k−3 at large...

Hydrodynamic processes in sharp meander bends and their morphological implications

NARCIS (Netherlands)

Blanckaert, K.

2011-01-01

The migration rate of sharp meander bends exhibits large variance and indicates that some sharply curved bends tend to stabilize. These observations remain unexplained. This paper examines three hydrodynamic processes in sharp bends with fixed banks and discusses their morphological implications:

On interfaces between cell populations with different mobilities

KAUST Repository

Lorenzi, Tommaso

2016-11-18

Partial differential equations describing the dynamics of cell population densities from a fluid mechanical perspective can model the growth of avascular tumours. In this framework, we consider a system of equations that describes the interaction between a population of dividing cells and a population of non-dividing cells. The two cell populations are characterised by different mobilities. We present the results of numerical simulations displaying two-dimensional spherical waves with sharp interfaces between dividing and non-dividing cells. Furthermore, we numerically observe how different ratios between the mobilities change the morphology of the interfaces, and lead to the emergence of finger-like patterns of invasion above a threshold. Motivated by these simulations, we study the existence of one-dimensional travelling wave solutions.

Ultrafast Thermal Transport at Interfaces

Energy Technology Data Exchange (ETDEWEB)

Cahill, David [Univ. of Illinois, Champaign, IL (United States); Murphy, Catherine [Univ. of Illinois, Champaign, IL (United States); Martin, Lane [Univ. of Illinois, Champaign, IL (United States)

2014-10-21

Our research program on Ultrafast Thermal Transport at Interfaces advanced understanding of the mesoscale science of heat conduction. At the length and time scales of atoms and atomic motions, energy is transported by interactions between single-particle and collective excitations. At macroscopic scales, entropy, temperature, and heat are the governing concepts. Key gaps in fundamental knowledge appear at the transitions between these two regimes. The transport of thermal energy at interfaces plays a pivotal role in these scientific issues. Measurements of heat transport with ultrafast time resolution are needed because picoseconds are the fundamental scales where the lack of equilibrium between various thermal excitations becomes a important factor in the transport physics. A critical aspect of our work has been the development of experimental methods and model systems that enabled more precise and sensitive investigations of nanoscale thermal transport.

[Overview of sharps injuries among health-care workers].

Science.gov (United States)

Gopar-Nieto, Rodrigo; Juárez-Pérez, Cuauhtémoc Arturo; Cabello-López, Alejandro; Haro-García, Luis Cuauhtémoc; Aguilar-Madrid, Guadalupe

2015-01-01

Sharps injuries are one of the most frequent health-care related accidents. It is estimated globally that 35 million workers are at risk; in Mexico there is no data available for this type of injuries. They are associated with lack of training, instrument and procedure risk, fatigue and stress. The occupational distribution is nurses 45 %, technicians 20 %, doctors 20 % and maintenance workers 5 %. The most commonly associated procedures are injection, venipuncture, suture, and insertion and manipulation of IV catheters. Hepatitis B is the most commonly transmitted agent. Emotional distress is huge as well as the cost of prophylaxis and follow-up. More than half of the injuries are not notified. The most common reasons for not reporting are: the belief that the exposure has low risk of infection, the lack of knowledge of reporting systems and the assumption that it is difficult to notify. Many strategies have been created to reduce the incidence of sharps injuries, such as: identifying the risk of blood exposure, the creation of politics to minimize the risk, the education and training to create a safe workplace, the enhancing of the reporting system, the use of double-gloving and using safety-engineered sharps devices. In many countries these politics have reduced the incidence of sharps injuries as well as the economic burden.

Single Atomically Sharp Lateral Monolayer p-n Heterojunction Solar Cells with Extraordinarily High Power Conversion Efficiency

KAUST Repository

Tsai, Meng-Lin; Li, Ming-yang; Duran Retamal, Jose Ramon; Lam, Kai-Tak; Lin, Yung-Chang; Suenaga, Kazu; Chen, Lih-Juann; Liang, Gengchiau; Li, Lain-Jong; He, Jr-Hau

2017-01-01

The recent development of 2D monolayer lateral semiconductor has created new paradigm to develop p-n heterojunctions. Albeit, the growth methods of these heterostructures typically result in alloy structures at the interface, limiting

Occupational exposure to sharps injury among healthcare providers in Ethiopia regional hospitals

NARCIS (Netherlands)

Sharew, Nigussie Tadesse; Mulu, Getaneh Baye; Habtewold, Tesfa Dejenie; Gizachew, Kefyalew Dagne

2017-01-01

BACKGROUND: Sharps injury is a penetrating stab wound from a needle, scalpel, or another sharp object that may result in exposure to blood or other body fluids. According to World Health Organization pooled estimate, the annual incidence of sharps injury in Africa was ranged from 2.10 to 4.68 per

AtomPy: an open atomic-data curation environment

Science.gov (United States)

Bautista, Manuel; Mendoza, Claudio; Boswell, Josiah S; Ajoku, Chukwuemeka

2014-06-01

We present a cloud-computing environment for atomic data curation, networking among atomic data providers and users, teaching-and-learning, and interfacing with spectral modeling software. The system is based on Google-Drive Sheets, Pandas (Python Data Analysis Library) DataFrames, and IPython Notebooks for open community-driven curation of atomic data for scientific and technological applications. The atomic model for each ionic species is contained in a multi-sheet Google-Drive workbook, where the atomic parameters from all known public sources are progressively stored. Metadata (provenance, community discussion, etc.) accompanying every entry in the database are stored through Notebooks. Education tools on the physics of atomic processes as well as their relevance to plasma and spectral modeling are based on IPython Notebooks that integrate written material, images, videos, and active computer-tool workflows. Data processing workflows and collaborative software developments are encouraged and managed through the GitHub social network. Relevant issues this platform intends to address are: (i) data quality by allowing open access to both data producers and users in order to attain completeness, accuracy, consistency, provenance and currentness; (ii) comparisons of different datasets to facilitate accuracy assessment; (iii) downloading to local data structures (i.e. Pandas DataFrames) for further manipulation and analysis by prospective users; and (iv) data preservation by avoiding the discard of outdated sets.

Magnetic and electronic properties of a Pt-Co bilayer on Pt(1 1 1)

International Nuclear Information System (INIS)

Giovanelli, L.; De Santis, M.; Panaccione, G.; Sirotti, F.; Torelli, P.; Vobornik, I.; Larcipretea, R.; Egger, S.; Saint-Lager, M.C.; Dolle, P.; Rossi, G.

2005-01-01

Atomically thin Co/Pt(1 1 1) interfaces grown at different temperatures are characterized by very different values of perpendicular magnetic anisotropy as a consequence of the local structure and coordination. Here we present a study of the structural, magnetic and electronic properties for interfaces grown in UHV onto clean Pt(1 1 1) in different kinetic conditions. When one monolayer of Co is deposited at 540 K a thermally activated exchange reaction leads to a sharp Pt-Co double interface giving rise to a strong increase of the magneto-optical response with respect to the Co monolayer deposited at room temperature. The results are interpreted in terms of atomic hybridization as detected by valence band photoelectron spectroscopy

Classification Order of Surface-Confined Intermixing at Epitaxial Interface

Science.gov (United States)

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

Superconductivity observed in platinum-silicon interface

Energy Technology Data Exchange (ETDEWEB)

Kuo, Pai-Chia, E-mail: paichia@phys.sinica.edu.tw [Research Program on Nanoscience and Nanotechnology, Academia Sinica, Taipei 11529, Taiwan (China); Institute of Physics, Academia Sinica, Taipei 11529, Taiwan (China); Department of Materials Science and Engineering, National Taiwan University, Taipei 10617, Taiwan (China); Chen, Chun-Wei [Department of Materials Science and Engineering, National Taiwan University, Taipei 10617, Taiwan (China); Lee, Ku-Pin; Shiue, Jessie, E-mail: yshiue@phys.sinica.edu.tw [Research Program on Nanoscience and Nanotechnology, Academia Sinica, Taipei 11529, Taiwan (China); Institute of Physics, Academia Sinica, Taipei 11529, Taiwan (China)

2014-05-26

We report the discovery of superconductivity with an onset temperature of ∼0.6 K in a platinum-silicon interface. The interface was formed by using a unique focused ion beam sputtering micro-deposition method in which the energies of most sputtered Pt atoms are ∼2.5 eV. Structural and elemental analysis by transmission electron microscopy (TEM) and energy dispersive X-ray spectroscopy reveal a ∼ 7 nm interface layer with abundant Pt, which is the layer likely responsible for the superconducting transport behavior. Similar transport behavior was also observed in a gold-silicon interface prepared by the same technique, indicating the possible generality of this phenomenon.

Three dimensional atom probe study of Ni-base alloy/low alloy steel dissimilar metal weld interfaces

International Nuclear Information System (INIS)

Choi, Kyoung Joon; Shin, Sang Hun; Kim, Jong Jin; Jung, Ju Ang; Kim, Ji Hyun

2012-01-01

Three dimensional atom probe tomography (3D APT) is applied to characterize the dissimilar metal joint which was welded between the Ni-based alloy, Alloy 690 and the low alloy steel, A533 Gr. B, with Alloy 152 filler metal. While there is some difficulty in preparing the specimen for the analysis, the 3D APT has a truly quantitative analytical capability to characterize nanometer scale particles in metallic materials, thus its application to the microstructural analysis in multicomponent metallic materials provides critical information on the mechanism of nanoscale microstructural evolution. In this study, the procedure for 3D APT specimen preparation was established, and those for dissimilar metal weld interface were prepared near the fusion boundary by a focused ion beam. The result of the analysis in this study showed the precipitation of chromium carbides near the fusion boundary between A533 Gr. B and Alloy 152.

Three dimensional atom probe study of Ni-base alloy/low alloy steel dissimilar metal weld interfaces

Energy Technology Data Exchange (ETDEWEB)

Choi, Kyoung Joon; Shin, Sang Hun; Kim, Jong Jin; Jung, Ju Ang; Kim, Ji Hyun [Interdisciplinary School of Green Energy, Ulsan National Institute of Science and Technology, Ulsan (Korea, Republic of)

2012-08-15

Three dimensional atom probe tomography (3D APT) is applied to characterize the dissimilar metal joint which was welded between the Ni-based alloy, Alloy 690 and the low alloy steel, A533 Gr. B, with Alloy 152 filler metal. While there is some difficulty in preparing the specimen for the analysis, the 3D APT has a truly quantitative analytical capability to characterize nanometer scale particles in metallic materials, thus its application to the microstructural analysis in multicomponent metallic materials provides critical information on the mechanism of nanoscale microstructural evolution. In this study, the procedure for 3D APT specimen preparation was established, and those for dissimilar metal weld interface were prepared near the fusion boundary by a focused ion beam. The result of the analysis in this study showed the precipitation of chromium carbides near the fusion boundary between A533 Gr. B and Alloy 152.

Insulin stimulates the expression of the SHARP-1 gene via multiple signaling pathways.

Science.gov (United States)

Takagi, K; Asano, K; Haneishi, A; Ono, M; Komatsu, Y; Yamamoto, T; Tanaka, T; Ueno, H; Ogawa, W; Tomita, K; Noguchi, T; Yamada, K

2014-06-01

The rat enhancer of split- and hairy-related protein-1 (SHARP-1) is a basic helix-loop-helix transcription factor. An issue of whether SHARP-1 is an insulin-inducible transcription factor was examined. Insulin rapidly increased the level of SHARP-1 mRNA both in vivo and in vitro. Then, signaling pathways involved with the increase of SHARP-1 mRNA by insulin were determined in H4IIE rat hepatoma cells. Pretreatments with LY294002, wortmannin, and staurosporine completely blocked the induction effect, suggesting the involvement of both phosphoinositide 3-kinase (PI 3-K) and protein kinase C (PKC) pathways. In fact, overexpression of a dominant negative form of atypical protein kinase C lambda (aPKCλ) significantly decreased the induction of the SHARP-1 mRNA. In addition, inhibitors for the small GTPase Rac or Jun N-terminal kinase (JNK) also blocked the induction of SHARP-1 mRNA by insulin. Overexpression of a dominant negative form of Rac1 prevented the activation by insulin. Furthermore, actinomycin D and cycloheximide completely blocked the induction of SHARP-1 mRNA by insulin. Finally, when a SHARP-1 expression plasmid was transiently transfected with various reporter plasmids into H4IIE cells, the promoter activity of PEPCK reporter plasmid was specifically decreased. Thus, we conclude that insulin induces the SHARP-1 gene expression at the transcription level via a both PI 3-K/aPKCλ/JNK- and a PI 3-K/Rac/JNK-signaling pathway; protein synthesis is required for this induction; and that SHARP-1 is a potential repressor of the PEPCK gene expression. © Georg Thieme Verlag KG Stuttgart · New York.

ASSESSMENT OF THE MANAGEMENT OF SHARPS INJURIES IN GOVERNMENT HOSPITALS: THE MALAYSIAN SITUATION

Directory of Open Access Journals (Sweden)

M. Siti Haniza M.D PhD

2012-11-01

Full Text Available Introduction: Management of occupational hazards has been a priority and sharps injuries is a known potential risk to health care workers. With the known risks of potential infections, to the workers as well as the patients, our workers need protection from further danger. Objective: This study looked at the measures taken on managing the affected healthcare workers. Methods: A cross-sectional survey using self-administered questionnaire was sent to 55 hospital directors. They were required to inform on their management practices on sharps injuries. Results: The findings showed variations in the management of sharps injuries during and after office hours, variation in the site of keeping the records, person responsible and variation in the frequency of data analysis and presentation to hospital directors. Discussion: According to OSHA Act 1994, it is the responsibility of the employer to ensure safety, health and welfare of the employee. In management of sharps injury data from injury reporting should be compiled and assessed. Reporting feedback need to be encouraged with timely follow-up of all sharps injury cases. Reporting of sharps injuries is essential to ensure that all healthcare workers receive appropriate post-exposure medical treatment. Conclusion & Recommendation: A uniform management of sharps injuries protocol need to be established to improve reporting. An avenue to present sharps injuries data regularly is needed so as appropriate management of workers be ensured. Therefore adherence to the available guidelines need to be ensured. Key words: management, sharps injuries, healthcare workers

Observation of carbon growth and interface structures in methanol solution

Science.gov (United States)

Okuno, Kimio

2015-11-01

In the deposition of carbon on the surface of a tungsten tip in methanol solution by electrolysis, the growth structure of the carbon films, the interface state, and the dissolution of carbon atoms into the tungsten matrix of the substrate have been investigated with the atomic events by field ion microscopy (FIM). The carbon films preferentially condense on the W{111} plane. The interfacial reaction at the carbon atom-tungsten substrate interface is vigorous and the carbon atoms also readily dissolve into the substrate matrix to form a tungsten-carbon complex. The reaction depth of the deposited carbon depends on the magnitude of electrolytic current and the treatment duration in the methanol solution. In this work, the resolution depth of carbon was found to be approximately 270 atomic layers below the top layer of the tungsten substrate by a field evaporation technique. In the case of a low electrolytic current, the tungsten substrate surface is entirely covered with carbon atoms having a pseudomorphic structure. The field-electron emission characteristics were also evaluated for various coverages of the carbon film formed on the substrate.

Accurate characterization and understanding of interface trap density trends between atomic layer deposited dielectrics and AlGaN/GaN with bonding constraint theory

Energy Technology Data Exchange (ETDEWEB)

Ramanan, Narayanan; Lee, Bongmook; Misra, Veena, E-mail: vmisra@ncsu.edu [Department of Electrical and Computer Engineering, North Carolina State University, 2410 Campus Shore Drive, Raleigh, North Carolina 27695 (United States)

2015-06-15

Many dielectrics have been proposed for the gate stack or passivation of AlGaN/GaN based metal oxide semiconductor heterojunction field effect transistors, to reduce gate leakage and current collapse, both for power and RF applications. Atomic Layer Deposition (ALD) is preferred for dielectric deposition as it provides uniform, conformal, and high quality films with precise monolayer control of film thickness. Identification of the optimum ALD dielectric for the gate stack or passivation requires a critical investigation of traps created at the dielectric/AlGaN interface. In this work, a pulsed-IV traps characterization method has been used for accurate characterization of interface traps with a variety of ALD dielectrics. High-k dielectrics (HfO{sub 2}, HfAlO, and Al{sub 2}O{sub 3}) are found to host a high density of interface traps with AlGaN. In contrast, ALD SiO{sub 2} shows the lowest interface trap density (<2 × 10{sup 12 }cm{sup −2}) after annealing above 600 °C in N{sub 2} for 60 s. The trend in observed trap densities is subsequently explained with bonding constraint theory, which predicts a high density of interface traps due to a higher coordination state and bond strain in high-k dielectrics.

The atomic simulation environment-a Python library for working with atoms.

Science.gov (United States)

Hjorth Larsen, Ask; Jørgen Mortensen, Jens; Blomqvist, Jakob; Castelli, Ivano E; Christensen, Rune; Dułak, Marcin; Friis, Jesper; Groves, Michael N; Hammer, Bjørk; Hargus, Cory; Hermes, Eric D; Jennings, Paul C; Bjerre Jensen, Peter; Kermode, James; Kitchin, John R; Leonhard Kolsbjerg, Esben; Kubal, Joseph; Kaasbjerg, Kristen; Lysgaard, Steen; Bergmann Maronsson, Jón; Maxson, Tristan; Olsen, Thomas; Pastewka, Lars; Peterson, Andrew; Rostgaard, Carsten; Schiøtz, Jakob; Schütt, Ole; Strange, Mikkel; Thygesen, Kristian S; Vegge, Tejs; Vilhelmsen, Lasse; Walter, Michael; Zeng, Zhenhua; Jacobsen, Karsten W

2017-07-12

The atomic simulation environment (ASE) is a software package written in the Python programming language with the aim of setting up, steering, and analyzing atomistic simulations. In ASE, tasks are fully scripted in Python. The powerful syntax of Python combined with the NumPy array library make it possible to perform very complex simulation tasks. For example, a sequence of calculations may be performed with the use of a simple 'for-loop' construction. Calculations of energy, forces, stresses and other quantities are performed through interfaces to many external electronic structure codes or force fields using a uniform interface. On top of this calculator interface, ASE provides modules for performing many standard simulation tasks such as structure optimization, molecular dynamics, handling of constraints and performing nudged elastic band calculations.

Spatial Multiplexing of Atom-Photon Entanglement Sources using Feedforward Control and Switching Networks.

Science.gov (United States)

Tian, Long; Xu, Zhongxiao; Chen, Lirong; Ge, Wei; Yuan, Haoxiang; Wen, Yafei; Wang, Shengzhi; Li, Shujing; Wang, Hai

2017-09-29

The light-matter quantum interface that can create quantum correlations or entanglement between a photon and one atomic collective excitation is a fundamental building block for a quantum repeater. The intrinsic limit is that the probability of preparing such nonclassical atom-photon correlations has to be kept low in order to suppress multiexcitation. To enhance this probability without introducing multiexcitation errors, a promising scheme is to apply multimode memories to the interface. Significant progress has been made in temporal, spectral, and spatial multiplexing memories, but the enhanced probability for generating the entangled atom-photon pair has not been experimentally realized. Here, by using six spin-wave-photon entanglement sources, a switching network, and feedforward control, we build a multiplexed light-matter interface and then demonstrate a ∼sixfold (∼fourfold) probability increase in generating entangled atom-photon (photon-photon) pairs. The measured compositive Bell parameter for the multiplexed interface is 2.49±0.03 combined with a memory lifetime of up to ∼51  μs.

Stability analysis of sharp-boundary Vlasov-fluid screw-pinch equilibria

International Nuclear Information System (INIS)

Lewis, H.R.; Turner, L.

1975-01-01

The Vlasov-fluid model is being used to study the linear stability of sharp-boundary screw pinches numerically. The numerical method appears to work well, and some preliminary results are reported. The sharp-boundary calculation is useful for gaining insight and for comparing with known MHD results. (auth)

Interfase y software de control para operar en sincronismo un automuestreador y un atomizador electrotérmico por filamento de tungsteno en espectrofotometría de absorción atómica Development of interface and software for synchronous operation of an autosampler and a tungsten coil electrothermal atomizer coupled to an atomic absorption spectophotometer

OpenAIRE

J. Neira; G. Valenzuela; J. Vega; J. Moya; C. G. Bruhn; J. A. Nóbrega

1998-01-01

The interface and software for synchronous control of an autosampler and an electrothermal tungsten coil atomizer in atomic absorption spectrophotometry were developed. The control of the power supply, the trigger of the Read function of the spectrophotometer and the automatic operation of the autosampler was performed by software written in "TurboBasic". The system was evaluated by comparison of the repeatability of peak-height absorbances obtained in the atomization of lead by consecutive 1...

High temperature interface superconductivity

International Nuclear Information System (INIS)

Gozar, A.; Bozovic, I.

2016-01-01

Highlight: • This review article covers the topic of high temperature interface superconductivity. • New materials and techniques used for achieving interface superconductivity are discussed. • We emphasize the role played by the differences in structure and electronic properties at the interface with respect to the bulk of the constituents. - Abstract: High-T_c superconductivity at interfaces has a history of more than a couple of decades. In this review we focus our attention on copper-oxide based heterostructures and multi-layers. We first discuss the technique, atomic layer-by-layer molecular beam epitaxy (ALL-MBE) engineering, that enabled High-T_c Interface Superconductivity (HT-IS), and the challenges associated with the realization of high quality interfaces. Then we turn our attention to the experiments which shed light on the structure and properties of interfacial layers, allowing comparison to those of single-phase films and bulk crystals. Both ‘passive’ hetero-structures as well as surface-induced effects by external gating are discussed. We conclude by comparing HT-IS in cuprates and in other classes of materials, especially Fe-based superconductors, and by examining the grand challenges currently laying ahead for the field.

Interface segregation behavior in thermal aged austenitic precipitation strengthened stainless steel

Energy Technology Data Exchange (ETDEWEB)

Li, Hui [Key Laboratory for Microstructures, Shanghai University, Shanghai 200444 (China); Technical Department, Jiuli Hi-Tech Metals Co., Ltd., Huzhou 313008 (China); Song, Hui [Key Laboratory for Microstructures, Shanghai University, Shanghai 200444 (China); Liu, Wenqing, E-mail: wqliu@staff.shu.edu.cn [Key Laboratory for Microstructures, Shanghai University, Shanghai 200444 (China); Institute of Materials, Shanghai University, Shanghai 200072 (China); Xia, Shuang; Zhou, Bangxin [Institute of Materials, Shanghai University, Shanghai 200072 (China); Su, Cheng; Ding, Wenyan [Technical Department, Jiuli Hi-Tech Metals Co., Ltd., Huzhou 313008 (China)

2015-12-15

The segregation of various elements at grain boundaries, precipitate/matrix interfaces were analyzed using atom probe tomography in an austenitic precipitation strengthened stainless steel aged at 750 °C for different time. Segregation of P, B and C at all types of interfaces in all the specimens were observed. However, Si segregated at all types of interfaces only in the specimen aged for 16 h. Enrichment of Ti at grain boundaries was evident in the specimen aged for 16 h, while Ti did not segregate at other interfaces. Mo varied considerably among interface types, e.g. from segregated at grain boundaries in the specimens after all the aging time to never segregate at γ′/γ phase interfaces. Cr co-segregated with C at grain boundaries, although carbides still did not nucleate at grain boundaries yet. Despite segregation tendency variations in different interface types, the segregation tendency evolution variation of different elements depending aging time were analyzed among all types of interfaces. Based on the experimental results, the enrichment factors, Gibbs interface excess and segregation free energies of segregated elements were calculated and discussed. - Highlights: • Solute atoms segregated at interfaces were analyzed in an austenitic stainless steel. • The comparison of segregation in different interfaces was studied by APT. • The evolution of interface segregation during aging treatment was discussed.

Empirical atom model of Vegard's law

International Nuclear Information System (INIS)

Zhang, Lei; Li, Shichun

2014-01-01

Vegard's law seldom holds true for most binary continuous solid solutions. When two components form a solid solution, the atom radii of component elements will change to satisfy the continuity requirement of electron density at the interface between component atom A and atom B so that the atom with larger electron density will expand and the atom with the smaller one will contract. If the expansion and contraction of the atomic radii of A and B respectively are equal in magnitude, Vegard's law will hold true. However, the expansion and contraction of two component atoms are not equal in most situations. The magnitude of the variation will depend on the cohesive energy of corresponding element crystals. An empirical atom model of Vegard's law has been proposed to account for signs of deviations according to the electron density at Wigner–Seitz cell from Thomas–Fermi–Dirac–Cheng model

The sharp peak-flat trough pattern and critical speculation

OpenAIRE

Roehner, B. M.; Sornette, D.

1998-01-01

We find empirically a characteristic sharp peak-flat trough pattern in a large set of commodity prices. We argue that the sharp peak structure reflects an endogenous inter-market organization, and that peaks may be seen as local ``singularities'' resulting from imitation and herding. These findings impose a novel stringent constraint on the construction of models. Intermittent amplification is not sufficient and nonlinear effects seem necessary to account for the observations.

Surface-enhanced Raman scattering on periodic metal nanotips with tunable sharpness

International Nuclear Information System (INIS)

Linn, Nicholas C; Sun, C-H; Arya, Ajay; Jiang Peng; Jiang Bin

2009-01-01

This paper reports on a scalable bottom-up technology for producing periodic gold nanotips with tunable sharpness as surface-enhanced Raman scattering (SERS) substrates. Inverted silicon pyramidal pits, which are templated from non-close-packed colloidal crystals prepared by a spin-coating technology, are used as structural templates to replicate arrays of polymer nanopyramids with nanoscale sharp tips. The deposition of a thin layer of gold on the polymer nanopyramids leads to the formation of SERS-active substrates with a high enhancement factor (up to 10 8 ). The thickness of the deposited metal determines the sharpness of the nanotips and the resulting Raman enhancement factor. Finite-element electromagnetic modeling shows that the nanotips can significantly enhance the local electromagnetic field and the sharpness of nanotips greatly affects the SERS enhancement.

Automated atomic absorption spectrophotometer, utilizing a programmable desk calculator

International Nuclear Information System (INIS)

Futrell, T.L.; Morrow, R.W.

1977-01-01

A commercial, double-beam atomic absorption spectrophotometer has been interfaced with a sample changer and a Hewlett-Packard 9810A calculator to yield a completely automated analysis system. The interface electronics can be easily constructed and should be adaptable to any double-beam atomic absorption instrument. The calculator is easily programmed and can be used for general laboratory purposes when not operating the instrument. The automated system has been shown to perform very satisfactorily when operated unattended to analyze a large number of samples. Performance statistics agree well with a manually operated instrument

X-ray scattering studies of surfaces and interfaces

International Nuclear Information System (INIS)

Sanyal, M.K.

1998-01-01

Here we shall briefly review the basics and some applications of x-ray specular reflectivity and diffuse scattering techniques. These x-ray scattering techniques are uniquely suited to study of the structure of surfaces and interfaces at atomic resolutions as they are nondestructive and can probe even interfaces which are buried. The study of structure of surfaces and interfaces is not only required in understanding physics in reduced dimensions but is also essential in developing technologically important materials

Analysis and protective measures of sharp instrument injury causes of sterilization and supply center

Directory of Open Access Journals (Sweden)

Hua YANG

2014-11-01

Full Text Available Objective: To analyze the causes of sharp injury in the sterilization and supply center, take protective measures, effectively avoid sharp instrument injury, and guarantee staff safety. Methods: Adopt a retrospective survey method, summarize sharp instrument injury data of sterilization and supply center in 2013, analyze the reasons of the occurrence of sharp instrument injury, and make protective countermeasures. Results: Sharp instrument injuries occurred mainly in the device classification, manual cleaning and device packaging process. Conclusion: Poor consciousness of occupational protection of the staff in the sterilization and supply center, nonstandard operation, and lack of training and supervision in place are the main reasons of occurrence of sharp instrument injury.

SCOWLP: a web-based database for detailed characterization and visualization of protein interfaces

Directory of Open Access Journals (Sweden)

Schroeder Michael

2006-03-01

Full Text Available Abstract Background Currently there is a strong need for methods that help to obtain an accurate description of protein interfaces in order to be able to understand the principles that govern molecular recognition and protein function. Many of the recent efforts to computationally identify and characterize protein networks extract protein interaction information at atomic resolution from the PDB. However, they pay none or little attention to small protein ligands and solvent. They are key components and mediators of protein interactions and fundamental for a complete description of protein interfaces. Interactome profiling requires the development of computational tools to extract and analyze protein-protein, protein-ligand and detailed solvent interaction information from the PDB in an automatic and comparative fashion. Adding this information to the existing one on protein-protein interactions will allow us to better understand protein interaction networks and protein function. Description SCOWLP (Structural Characterization Of Water, Ligands and Proteins is a user-friendly and publicly accessible web-based relational database for detailed characterization and visualization of the PDB protein interfaces. The SCOWLP database includes proteins, peptidic-ligands and interface water molecules as descriptors of protein interfaces. It contains currently 74,907 protein interfaces and 2,093,976 residue-residue interactions formed by 60,664 structural units (protein domains and peptidic-ligands and their interacting solvent. The SCOWLP web-server allows detailed structural analysis and comparisons of protein interfaces at atomic level by text query of PDB codes and/or by navigating a SCOP-based tree. It includes a visualization tool to interactively display the interfaces and label interacting residues and interface solvent by atomic physicochemical properties. SCOWLP is automatically updated with every SCOP release. Conclusion SCOWLP enriches

Direct observation of ionic structure at solid-liquid interfaces

DEFF Research Database (Denmark)

Siretanu, Igor; Ebeling, Daniel; Andersson, Martin Peter

2014-01-01

The distribution of ions and charge at solid-water interfaces plays an essential role in a wide range of processes in biology, geology and technology. While theoretical models of the solid-electrolyte interface date back to the early 20th century, a detailed picture of the structure of the electric...... double layer has remained elusive, largely because of experimental techniques have not allowed direct observation of the behaviour of ions, i.e. with subnanometer resolution. We have made use of recent advances in high-resolution Atomic Force Microscopy to reveal, with atomic level precision, the ordered...

Thin films and buried interfaces characterization with X-ray standing waves

Energy Technology Data Exchange (ETDEWEB)

Lagomarsino, S [CNR, Rome (Italy). Istituto Elettronica Stato Solido

1996-09-01

The X-ray standing wave techniques is a powerful, non destructive method to study interfaces at the atomic level. Its basic features are described here together with the peculiarities of its applications to epitaxial films and buried interfaces. As examples of applications, experiments carried out on Si/silicide interfaces, on GaAs/InAs/GaAs buried interfaces and on Si/Ge superlattices are shown.

Synchrotron radiation photoemission study of interface formation between MgO and the atomically clean In{sub 0.53}Ga{sub 0.47}As surface

Energy Technology Data Exchange (ETDEWEB)

Chauhan, Lalit; Hughes, Greg [School of Physical Sciences, Dublin City University, Glasnevin Dublin 9 (Ireland)

2014-02-15

The evolution of interface formation between MgO and the atomically clean In{sub 0.53}Ga{sub 0.47}As is studied by synchrotron radiation based photoemission. The deposition of MgO in a step wise fashion on the decapped In{sub 0.53}Ga{sub 0.47}As surface at room temperature results in the growth of an ultrathin interfacial oxide layer. Subsequent thermal annealing at 400 C led to the reduction of the As and In oxides and the appearance of a Ga oxide component. The deposition of metallic Mg resulted in the further removal of the interfacial oxide and the out diffusion of In into the overlayer indicating severe disruption of the interface. (copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

First-principles molecular dynamics study of Al/Alq3 interfaces

Directory of Open Access Journals (Sweden)

Kousuke Takeuchi et al

2007-01-01

Full Text Available We have carried out first-principles molecular dynamics simulations of Al deposition on tris (8-hydroxyquinoline aluminum (Alq3 layers to investigate atomic geometries and electronic properties of Al/Alq3 interfaces. Al atoms were ejected to Alq3 one by one with the kinetic energy of 37.4 kJ/mol, which approximately corresponds to the average kinetic energy of Al at the boiling temperature of metal Al. The first Al atom interacts with two of the three O atoms of meridional Alq3. Following Al atoms interact with Alq3 rather weakly and they tend to aggregate each other to form Al clusters. During the deposition process, Alq3 was not broken and its molecular structure remained essentially intact. At the interface, weak bonds between deposited Al atoms and N and C atoms were formed. The projected density of states (PDOS onto the Alq3 molecular orbitals shows gap states in between the highest occupied molecular orbitals (HOMOs and the lowest unoccupied molecular orbitals (LUMOs, which were experimentally observed by ultraviolet photoelectron spectroscopy (UPS and metastable atom electron spectroscopy (MAES. Our results show that even though the Alq3 molecular structure is retained, weak N–Al and C–Al bonds induce gap states.

Atomic-scale compensation phenomena at polar interfaces.

Science.gov (United States)

Chisholm, Matthew F; Luo, Weidong; Oxley, Mark P; Pantelides, Sokrates T; Lee, Ho Nyung

2010-11-05

The interfacial screening charge that arises to compensate electric fields of dielectric or ferroelectric thin films is now recognized as the most important factor in determining the capacitance or polarization of ultrathin ferroelectrics. Here we investigate using aberration-corrected electron microscopy and density-functional theory to show how interfaces cope with the need to terminate ferroelectric polarization. In one case, we show evidence for ionic screening, which has been predicted by theory but never observed. For a ferroelectric film on an insulating substrate, we found that compensation can be mediated by an interfacial charge generated, for example, by oxygen vacancies.

Objective assessment of knife sharpness over a working day cutting meat.

Science.gov (United States)

Savescu, Adriana; Cuny-Guerrier, Aude; Wild, Pascal; Reno, Gilles; Aublet-Cuvelier, Agnès; Claudon, Laurent

2018-04-01

Knife sharpness is one of multiple factors involved in musculoskeletal disorders in industrial meat cutting. The aim of this study was to objectively evaluate, in real working situations, how knife sharpness changed over a working day cutting meat, and to analyse the impact of sharpening, steeling and meat-cutting activities on these variations. Twenty-two meat-cutting workers from three different companies participated in the study. The methods included measurements of knife sharpness in relation to real work situations and consideration of the way meat-cutting and sharpening operations were organised. Results showed that the type of meat-cutting activities, the steeling strategy adopted by the worker, including the types of tool used, and the overall organisation of the sharpening task all had a significant influence on how knife sharpness evolved over a 2-h period and over an entire working day. To improve MSD prevention, sharpening and steeling operations should not be considered as independent activities, but taken into account as a continuity of working actions. Appropriate assessment of knife sharpness by meat cutters affects how they organise meat-cutting and sharpening tasks. Copyright © 2017 Elsevier Ltd. All rights reserved.

Hypoxia interface behavior of the ctenophore Mnemiopsis leidyi

Science.gov (United States)

Gentry, L. A.; Moss, A.

2016-02-01

The ctenophore Mnemiopsis leidyi is most widely known as a destructive invasive species of the Black and Caspian seas. Ctenophores are also found endemically in oceans worldwide, where their low oxygen tolerances allow many of them to use hypoxic zones to escape predation and hunt disabled prey. Ctenophores have also been observed in the wild and laboratory conditions associating with the interface of hypoxic and normoxic waters, allowing them to feed on the organisms found there. In order to test the ability of M. leidyi to find oxygen interfaces, a 10 cm diameter X 60 cm tall cylindrical tank was designed with a sharp oxycline (animals introduced to the tank under oxycline conditions increased their time spent at the interface by over nearly five-fold versus those in a fully normoxic or hypoxic water. These preliminary results would indicate that M. leidyi preferentially associates with the interfaces of hypoxic zones. As human effects such as overfishing, nutrient enrichment of coastal waters, and invasive introduction continue to rise, the complex interactions of these animals and hypoxic zones will become increasingly important to planktonic and pelagic ecosystems worldwide.

Sharp Dissection versus Electrocautery for Radial Artery Harvesting

Science.gov (United States)

Marzban, Mehrab; Arya, Reza; Mandegar, Mohammad Hossein; Karimi, Abbas Ali; Abbasi, Kiomars; Movahed, Namvar; Abbasi, Seyed Hesameddin

2006-01-01

Radial arteries have been increasingly used during the last decade as conduits for coronary artery revascularization. Although various harvesting techniques have been described, there has been little comparative study of arterial damage and patency. A radial artery graft was used in 44 consecutive patients, who were randomly divided into 2 groups. In the 1st group, the radial artery was harvested by sharp dissection and in the 2nd, by electrocautery. These groups were compared with regard to radial artery free flow, harvest time, number of clips used, complications, and endothelial damage. Radial artery free flow before and after intraluminal administration of papaverine was significantly greater in the electrocautery group (84.3 ± 50.7 mL/min and 109.7 ± 68.5 mL/min) than in the sharp-dissection group (52.9 ± 18.3 mL/min and 69.6 ± 28.2 mL/ min) (P =0.003). Harvesting time by electrocautery was significantly shorter (25.4 ± 4.3 min vs 34.4 ± 5.9 min) (P =0.0001). Electrocautery consumed an average of 9.76 clips, versus 22.45 clips consumed by sharp dissection. The 2 groups were not different regarding postoperative complications, except for 3 cases of temporary paresthesia of the thumb in the electrocautery group; histopathologic examination found no endothelial damage. We conclude that radial artery harvesting by electrocautery is faster and more economical than harvesting by sharp dissection and is associated with better intraoperative flow and good preservation of endothelial integrity. PMID:16572861

LABORATORY FREQUENCY REDISTRIBUTION FUNCTION FOR THE POLARIZED Λ-TYPE THREE-TERM ATOM

Energy Technology Data Exchange (ETDEWEB)

Casini, R. [High Altitude Observatory, National Center for Atmospheric Research, P.O. Box 3000, Boulder, CO 80307-3000 (United States); Manso Sainz, R. [Max Planck Institute for Solar System Research, Justus-von-Liebig-Weg 3, D-37077 Göttingen (Germany)

2016-12-20

We present the frequency redistribution function for a polarized three-term atom of the Λ-type in the collisionless regime, and we specialize it to the case where both the initial and final terms of the three-state transition are metastable (i.e., with infinitely sharp levels). This redistribution function represents a generalization of the well-known R {sub II} function to the case where the lower terms of the transition can be polarized and carry atomic coherence, and it can be applied to the investigation of polarized line formation in tenuous plasmas, where collisional rates may be low enough that anisotropy-induced atomic polarization survives even in the case of metastable levels.

Local Electronic And Dielectric Properties at Nanosized Interfaces

Energy Technology Data Exchange (ETDEWEB)

Bonnell, Dawn A. [Univ. of Pennsylvania, Philadelphia, PA (United States)

2015-02-23

Final Report to the Department of Energy for period 6/1/2000 to 11/30/2014 for Grant # DE-FG02-00ER45813-A000 to the University of Pennsylvania Local Electronic And Dielectric Properties at Nanosized Interfaces PI: Dawn Bonnell The behavior of grain boundaries and interfaces has been a focus of fundamental research for decades because variations of structure and composition at interfaces dictate mechanical, electrical, optical and dielectric properties in solids. Similarly, the consequence of atomic and electronic structures of surfaces to chemical and physical interactions are critical due to their implications to catalysis and device fabrication. Increasing fundamental understanding of surfaces and interfaces has materially advanced technologies that directly bear on energy considerations. Currently, exciting developments in materials processing are enabling creative new electrical, optical and chemical device configurations. Controlled synthesis of nanoparticles, semiconducting nanowires and nanorods, optical quantum dots, etc. along with a range of strategies for assembling and patterning nanostructures portend the viability of new devices that have the potential to significantly impact the energy landscape. As devices become smaller the impact of interfaces and surfaces grows geometrically. As with other nanoscale phenomena, small interfaces do not exhibit the same properties as do large interfaces. The size dependence of interface properties had not been explored and understanding at the most fundamental level is necessary to the advancement of nanostructured devices. An equally important factor in the behavior of interfaces in devices is the ability to examine the interfaces under realistic conditions. For example, interfaces and boundaries dictate the behavior of oxide fuel cells which operate at extremely high temperatures in dynamic high pressure chemical environments. These conditions preclude the characterization of local properties during fuel cell

AtomDB Progress Report: Atomic data and new models for X-ray spectroscopy.

Science.gov (United States)

Smith, Randall K.; Foster, Adam; Brickhouse, Nancy S.; Stancil, Phillip C.; Cumbee, Renata; Mullen, Patrick Dean; AtomDB Team

2018-06-01

The AtomDB project collects atomic data from both theoretical and observational/experimental sources, providing both a convenient interface (http://www.atomdb.org/Webguide/webguide.php) as well as providing input to spectral models for many types of astrophysical X-ray plasmas. We have released several updates to AtomDB in response to the Hitomi data, including new data for the Fe K complex, and have expanded the range of models available in AtomDB to include the Kronos charge exchange models from Mullen at al. (2016, ApJS, 224, 2). Combined with the previous AtomDB charge exchange model (http://www.atomdb.org/CX/), these data enable a velocity-dependent model for X-ray and EUV charge exchange spectra. We also present a new Kappa-distribution spectral model, enabling plasmas with non-Maxwellian electron distributions to be modeled with AtomDB. Tools are provided within pyAtomDB to explore and exploit these new plasma models. This presentation will review these enhancements and describe plans for the new few years of database and code development in preparation for XARM, Athena, and (hopefully) Arcus.

Interface structure between tetraglyme and graphite

Science.gov (United States)

Minato, Taketoshi; Araki, Yuki; Umeda, Kenichi; Yamanaka, Toshiro; Okazaki, Ken-ichi; Onishi, Hiroshi; Abe, Takeshi; Ogumi, Zempachi

2017-09-01

Clarification of the details of the interface structure between liquids and solids is crucial for understanding the fundamental processes of physical functions. Herein, we investigate the structure of the interface between tetraglyme and graphite and propose a model for the interface structure based on the observation of frequency-modulation atomic force microscopy in liquids. The ordering and distorted adsorption of tetraglyme on graphite were observed. It is found that tetraglyme stably adsorbs on graphite. Density functional theory calculations supported the adsorption structure. In the liquid phase, there is a layered structure of the molecular distribution with an average distance of 0.60 nm between layers.

Current at Metal-Organic Interfaces

Science.gov (United States)

Kern, Klaus

2012-02-01

Charge transport through atomic and molecular constrictions greatly affects the operation and performance of organic electronic devices. Much of our understanding of the charge injection and extraction processes in these systems relays on our knowledge of the electronic structure at the metal-organic interface. Despite significant experimental and theoretical advances in studying charge transport in nanoscale junctions, a microscopic understanding at the single atom/molecule level is missing. In the present talk I will present our recent results to probe directly the nanocontact between single molecules and a metal electrode using scanning probe microscopy and spectroscopy. The experiments provide unprecedented microscopic details of single molecule and atom junctions and open new avenues to study quantum critical and many body phenomena at the atomic scale. Implications for energy conversion devices and carbon based nanoelectronics will also be discussed.

Ordering at Si(111)/o-Si and Si(111)/SiO2 Interfaces

DEFF Research Database (Denmark)

Robinson, I. K.; Waskiewicz, W. K.; Tung, R. T.

1986-01-01

X-ray diffraction has been used to measure the intensity profile of the two-dimensional rods of scattering from a single interface buried inside a bulk material. In both Si(111)/a-Si and Si(111)/SiO2 examples there are features in the perpendicular-momentum-transfer dependence which are not expec...... are not expected from an ideal sharp interface. The diffraction profiles are explained by models with partially ordered layers extending into the amorphous region. In the Si(111)/a-Si case there is clear evidence of stacking faults which are attributed to residual 7×7 reconstruction....

Molecular dynamics simulation of diffusion bonding of Al–Cu interface

International Nuclear Information System (INIS)

Li, Chang; Li, Dongxu; Tao, Xiaoma; Chen, Hongmei; Ouyang, Yifang

2014-01-01

The effects of temperature on diffusion bonding of Al–Cu interface have been investigated by using molecular dynamics (MD) technique with the embedded atomic method (EAM) potentials. The simulated results indicate that the Cu atoms predominantly diffuse into the Al side in the process of diffusion bonding, and the thickness of the interfacial region depends on temperature, with higher temperatures resulting in larger thickness. In the course of diffusion bonding, the interfacial region became disordered. In addition, the Cu atoms diffuse at low ratios but can deeply diffuse into the interior of Al, and the Al atoms diffuse at high ratios but hardly diffuse into the interior of Cu. The results show that the appropriate temperature range for diffusion bonding of Al–Cu interface is 750–800 K, and the diffusion activation energies of Al and Cu are 0.77 eV and 0.50 eV, respectively. Finally, in this work, three diffusion mechanisms of Cu atoms in Al lattice have been found and the main diffusion mechanism is the nearest neighbor hopping mechanism. (paper)

First-principles investigation of the electronic states at perovskite and pyrite hetero-interfaces

KAUST Repository

Nazir, Safdar

2012-09-01

Oxide heterostructures are attracting huge interest in recent years due to the special functionalities of quasi two-dimensional quantum gases. In this thesis, the electronic states at the interface between perovskite oxides and pyrite compounds have been studied by first-principles calculations based on density functional theory. Optimization of the atomic positions are taken into account, which is considered very important at interfaces, as observed in the case of LaAlO3/SrTiO3. The creation of metallic states at the interfaces thus is explained in terms of charge transfer between the transition metal and oxygen atoms near the interface. It is observed that with typical thicknesses of at least 10-12 °A the gases still extend considerably in the third dimension, which essentially determines the magnitude of quantum mechanical effects. To overcome this problem, we propose incorporation of highly electronegative cations (such as Ag) in the oxides. A fundamental interest is also the thermodynamic stability of the interfaces due to the possibility of atomic intermixing in the interface region. Therefore, different cation intermixed configurations are taken into account for the interfaces aiming at the energetically stable state. The effect of O vacancies is also discussed for both polar and non-polar heterostructures. The interface metallicity is enhanced for the polar system with the creation of O vacancies, while the clean interface at the non-polar heterostructure exhibits an insulating state and becomes metallic in presence of O vacancy. The O vacancy formation energies are calculated and explained in terms of the increasing electronegativity and effective volume of A the side cation. Along with these, the electronic and magnetic properties of an interface between the ferromagnetic metal CoS2 and the non-magnetic semiconductor FeS2 is investigated. We find that this contact shows a metallic character. The CoS2 stays quasi half metallic at the interface, while the

Protein Nano-Object Integrator: Generating atomic-style objects for use in molecular biophysics

Science.gov (United States)

Smith, Nicholas David Fenimore

As researchers obtain access to greater and greater amounts of computational power, focus has shifted towards modeling macroscopic objects while still maintaining atomic-level details. The Protein Nano-Object Integrator (ProNOI) presented here has been designed to provide a streamlined solution for creating and designing macro-scale objects with atomic-level details to be used in molecular simulations and tools. To accomplish this, two different interfaces were developed: a Protein Data Bank (PDB), PDB-focused interface for generating regularly-shaped three-dimensional atomic objects and a 2D image-based interface for tracing images with irregularly shaped objects and then extracting three-dimensional models from these images. Each interface is dependent upon the C++ backend utility for generating the objects and ensures that the output is consistent across each program. The objects are exported in a standard PDB format which allows for the visualization and manipulation of the objects via standard tools available in Molecular Computational Biophysics.

Sharp vorticity gradients in two-dimensional turbulence and the energy spectrum

DEFF Research Database (Denmark)

Kuznetsov, E.A.; Naulin, Volker; Nielsen, Anders Henry

2010-01-01

Formation of sharp vorticity gradients in two-dimensional (2D) hydrodynamic turbulence and their influence on the turbulent spectra are considered. The analog of the vortex line representation as a transformation to the curvilinear system of coordinates moving together with the di-vorticity lines...... is developed and compressibility of this mapping appears as the main reason for the formation of the sharp vorticity gradients at high Reynolds numbers. In the case of strong anisotropy the sharp vorticity gradients can generate spectra which fall off as k −3 at large k, which appear to take the same form...

Controlling the properties of ferroelectric-nickelate interfaces

Science.gov (United States)

Marshall, Matthew S. J.; Malashevich, Andrei; Disa, Ankit; Han, Myung-Geun; Zhu, Yimei; Ismail-Beigi, Sohrab; Walker, Frederick; Ahn, Charles

2015-03-01

Ferroelectrics are a class of materials that exhibit a stable, reversible polarization making them useful for non-volatile electronic devices. In devices consisting of thin film ferroelectric PZT acting as a gate and a thin film of the conductive oxide LaNiO3 grown on LaAlO3(001) acting as a channel, we have realized a large change in room temperature channel resistance by switching the ferroelectric polarization. The effect of switching the polarization of the ferroelectric is to modify the electronic structure of the interface between the gate and channel, resulting in conduction in the otherwise insulating ferroelectric. Here, we discuss how changing the epitaxial strain and interface termination of LaNiO3 can result in larger changes in resistivity. The epitaxial strain is varied by growing the devices on LaAlO3 for tensile strain and SrTiO3 for compressive strain. An interface termination of either an atomic layer of NiO2 or LaO is achieved via atomic layering using oxygen plasma assisted molecular beam epitaxy (MBE).

Atom probe tomography of intermetallic phases and interfaces formed in dissimilar joining between Al alloys and steel

International Nuclear Information System (INIS)

Lemmens, B.; Springer, H.; Duarte, M.J.; De Graeve, I.; De Strycker, J.; Raabe, D.; Verbeken, K.

2016-01-01

While Si additions to Al are widely used to reduce the thickness of the brittle intermetallic seam formed at the interface during joining of Al alloys to steel, the underlying mechanisms are not clarified yet. The developed approach for the site specific atom probe tomography analysis revealed Si enrichments at grain and phase boundaries between the θ (Fe 4 Al 13 ) and η (Fe 2 Al 5 ) phase, up to about ten times that of the concentration in Al. The increase in Si concentration could play an important role for the growth kinetics of the intermetallic phases formed for example in hot-dip aluminizing of steel. - Highlights: •Si additions to Al reduce thickness of intermetallic seam in joining with steel. •Approach developed for the site specific APT analysis of the intermetallic seam •Si enrichment at grain and phase boundaries possibly affects growth of intermetallics.

SHARP: A multi-mission AI system for spacecraft telemetry monitoring and diagnosis

Science.gov (United States)

Lawson, Denise L.; James, Mark L.

1989-01-01

The Spacecraft Health Automated Reasoning Prototype (SHARP) is a system designed to demonstrate automated health and status analysis for multi-mission spacecraft and ground data systems operations. Telecommunications link analysis of the Voyager II spacecraft is the initial focus for the SHARP system demonstration which will occur during Voyager's encounter with the planet Neptune in August, 1989, in parallel with real-time Voyager operations. The SHARP system combines conventional computer science methodologies with artificial intelligence techniques to produce an effective method for detecting and analyzing potential spacecraft and ground systems problems. The system performs real-time analysis of spacecraft and other related telemetry, and is also capable of examining data in historical context. A brief introduction is given to the spacecraft and ground systems monitoring process at the Jet Propulsion Laboratory. The current method of operation for monitoring the Voyager Telecommunications subsystem is described, and the difficulties associated with the existing technology are highlighted. The approach taken in the SHARP system to overcome the current limitations is also described, as well as both the conventional and artificial intelligence solutions developed in SHARP.

Proliferation of sharp kinks on cosmic (super)string loops with junctions

International Nuclear Information System (INIS)

Binetruy, P.; Bohe, A.; Hertog, T.; Steer, D. A.

2010-01-01

Motivated by their effect on the gravitational wave signal emitted by cosmic strings, we study the dynamics of kinks on strings of different tensions meeting at junctions. The propagation of a kink through a Y junction leads to the formation of three 'daughter' kinks. Assuming a uniform distribution of the incoming wave vectors at the junction, we find there is a significant region of configuration space in which the sharpness of at least one of the daughter kinks is enhanced relative to the sharpness of the initial kink. For closed loops with junctions we show this leads to an exponential growth in time of very sharp kinks. Using numerical simulations of realistic, evolving cosmic string loops with junctions to calculate the distribution of kink amplitudes as a function of time, we show that loops of this kind typically develop several orders of magnitude of very sharp kinks before the two junctions collide. This collision, or other effects such as gravitational backreaction, may end the proliferation.

Spectrum of hydrogen atom, Niels Bohr and their impact on contemporary science: a glimpse of modern spectroscopy

International Nuclear Information System (INIS)

Sastry, M.D.

2013-01-01

This contribution reviews developments in the atomic spectroscopy subsequent to Bohr's model. This follows a brief description of Bohr's model of hydrogen atom that accounts for sharp line spectra of hydrogen atom. The developments include the effects of electron and nuclear spins, spectroscopy of multi electron atom which involve electron-electron repulsion and different angular momentum coupling schemes. More recently, Bohr's atom model has found application to processes at nano dimensions of semiconducting materials. It has now become possible to create a hydrogen-like atom, an exciton, with its size comparable or even more than that of the particle it self. This brings in extra quantization and has profound effects on the motion of the particles involved viz electron and hole. (author)

Interface charge trapping induced flatband voltage shift during plasma-enhanced atomic layer deposition in through silicon via

Science.gov (United States)

Li, Yunlong; Suhard, Samuel; Van Huylenbroeck, Stefaan; Meersschaut, Johan; Van Besien, Els; Stucchi, Michele; Croes, Kristof; Beyer, Gerald; Beyne, Eric

2017-12-01

A Through Silicon Via (TSV) is a key component for 3D integrated circuit stacking technology, and the diameter of a TSV keeps scaling down to reduce the footprint in silicon. The TSV aspect ratio, defined as the TSV depth/diameter, tends to increase consequently. Starting from the aspect ratio of 10, to improve the TSV sidewall coverage and reduce the process thermal budget, the TSV dielectric liner deposition process has evolved from sub-atmospheric chemical vapour deposition to plasma-enhanced atomic layer deposition (PE-ALD). However, with this change, a strong negative shift in the flatband voltage is observed in the capacitance-voltage characteristic of the vertical metal-oxide-semiconductor (MOS) parasitic capacitor formed between the TSV copper metal and the p-Si substrate. And, no shift is present in planar MOS capacitors manufactured with the same PE-ALD oxide. By comparing the integration process of these two MOS capacitor structures, and by using Elastic Recoil Detection to study the elemental composition of our films, it is found that the origin of the negative flatband voltage shift is the positive charge trapping at the Si/SiO2 interface, due to the positive PE-ALD reactants confined to the narrow cavity of high aspect ratio TSVs. This interface charge trapping effect can be effectively mitigated by high temperature annealing. However, this is limited in the real process due to the high thermal budget. Further investigation on liner oxide process optimization is needed.

Dynamics of the YSZ-Pt Interface

DEFF Research Database (Denmark)

Bay, Lasse; Jacobsen, Torben

1997-01-01

Yttria stabilized zirconia (YSZ)-Pt point electrodes were examined by linear potential sweep, potential step and impedance measurements at 1000 degrees C in air. Inductive loops and hysteresis phenomena with long relaxation times were found. Atomic force microscopy showed changes of the interface...

Interface analysis of Ge ultra thin layers intercalated between GaAs substrates and oxide stacks

Energy Technology Data Exchange (ETDEWEB)

Molle, Alessandro, E-mail: alessandro.molle@mdm.infm.i [Laboratorio Nazionale MDM, CNR-INFM, Via C. Olivetti 2, 20041 Agrate Brianza (Italy); Lamagna, Luca; Spiga, Sabina [Laboratorio Nazionale MDM, CNR-INFM, Via C. Olivetti 2, 20041 Agrate Brianza (Italy); Fanciulli, Marco [Laboratorio Nazionale MDM, CNR-INFM, Via C. Olivetti 2, 20041 Agrate Brianza (MI) (Italy); Dipartimento di Scienza dei Materiali, Universita di Milano Bicocca, Milano (Italy); Brammertz, Guy; Meuris, Marc [IMEC, 75 Kapeldreef, B-3001 Leuven (Belgium)

2010-01-01

Capping III-V compound surfaces with Ge ultra-thin layer might be a viable pathway to passivate the electrically active interface traps which usually jeopardize the integration of III-V materials in metal-oxide-semiconductor devices. As the physical nature of such traps is intrinsically related to the chemical details of the interface composition, the structural and compositional features of the Ge/GaAs interface were thoroughly investigated in two different configurations, the atomic layer deposition of La-doped ZrO{sub 2} films on Ge-capped GaAs and the ultra-high vacuum based molecular beam deposition of GeO{sub 2}/Ge double stack on in situ prepared GaAs. In the former case, the intercalation of a Ge interface layer is shown to suppress the concentration of interface Ga-O, As-O and elemental As bonding which were significantly detected in case of the direct oxide deposition on GaAs. In the latter case, the incidence of two different in situ surface preparations, the Ar sputtering and the atomic H cleaning, on the interface composition is elucidated and the beneficial role played by the atomic H exposure in reducing the semiconductor-oxygen bonds at the interface level is demonstrated.

Diffusion phenomenon at the interface of Cu-brass under a strong gravitational field

Energy Technology Data Exchange (ETDEWEB)

Ogata, Yudai; Tokuda, Makoto; Januszko, Kamila; Khandaker, Jahirul Islam; Mashimo, Tsutomu, E-mail: mashimo@gpo.kumamoto-u.ac.jp [Institute of Pulsed Power Science, Kumamoto University, Kumamoto 860-8555 (Japan); Iguchi, Yusuke [Department of Solid State Physics, Debrecen University, 4032 Debrecen (Hungary); Ono, Masao [Advanced Science Research Center, Japan Atomic Energy Agency (JAEA), Ibaraki 319-1195 (Japan)

2015-03-28

To investigate diffusion phenomenon at the interface between Cu and brass under a strong gravitational field generated by ultracentrifuge apparatus, we performed gravity experiments on samples prepared by electroplating with interfaces normal and parallel to the direction of gravity. For the parallel-mode sample, for which sedimentation cannot occur thorough the interface, the concentration change was significant within the lower gravity region; many pores were observed in this region. Many vacancies arising from crystal strain due to the strong gravitational field moved into the lower gravity region, and enhanced the atoms mobilities. For the two normal-mode samples, which have interface normal to the direction of gravity, the composition gradient of the brass-on-Cu sample was steeper than that for Cu-on-brass. This showed that the atoms of denser Cu diffuse in the direction of gravity, whereas Zn atoms diffuse in the opposite direction by sedimentation. The interdiffusion coefficients became higher in the Cu-on-brass sample, and became lower in the brass-on-Cu sample. This rise may be related to the behavior of the vacancies.

Theoretical study of electromagnetically induced transparency in a five-level atom and application to Doppler-broadened and Doppler-free Rb atoms

International Nuclear Information System (INIS)

Bhattacharyya, Dipankar; Ray, Biswajit; Ghosh, Pradip N

2007-01-01

We report theoretical studies of a Λ-type five-level atomic system. The density matrix equations are set up and solved numerically to obtain the probe absorption line shape of Rb D 2 transitions for cold (Doppler-free) and room temperature (Doppler-broadened) atoms. Simulated spectra for Doppler-broadened systems lead to four velocity-selective dips along with an electromagnetic induced transparency (EIT) peak as observed earlier from the co-propagating pump-probe spectroscopy of Rb D 2 transitions. Effects of pump power and spontaneous decay rate from the upper levels on the simulated spectra are also studied. For cold atoms a very pronounced EIT peak is observed when the pump frequency is on resonance with one allowed transition. We find that lower pump power leads to a much sharper EIT signal in this case. A simulated dispersion curve shows a rapid variation of the refractive index that may lead to a sharp reduction of the group velocity of photons

Natural and artificial atoms for quantum computation

Energy Technology Data Exchange (ETDEWEB)

Buluta, Iulia; Ashhab, Sahel; Nori, Franco, E-mail: fnori@riken.jp [Advanced Science Institute, RIKEN, Wako-shi, Saitama, 351-0198 (Japan)

2011-10-15

Remarkable progress towards realizing quantum computation has been achieved using natural and artificial atoms as qubits. This paper presents a brief overview of the current status of different types of qubits. On the one hand, natural atoms (such as neutral atoms and ions) have long coherence times, and could be stored in large arrays, providing ideal 'quantum memories'. On the other hand, artificial atoms (such as superconducting circuits or semiconductor quantum dots) have the advantage of custom-designed features and could be used as 'quantum processing units'. Natural and artificial atoms can be coupled with each other and can also be interfaced with photons for long-distance communications. Hybrid devices made of natural/artificial atoms and photons may provide the next-generation design for quantum computers.

Realizing high magnetic moments in fcc Fe nanoparticles through atomic structure stretch

International Nuclear Information System (INIS)

Baker, S H; Roy, M; Thornton, S C; Binns, C

2012-01-01

We describe the realization of a high moment state in fcc Fe nanoparticles through a controlled change in their atomic structure. Embedding Fe nanoparticles in a Cu 1-x Au x matrix causes their atomic structure to switch from bcc to fcc. Extended x-ray absorption fine structure (EXAFS) measurements show that the structure in both the matrix and the Fe nanoparticles expands as the amount of Au in the matrix is increased, with the data indicating a tetragonal stretch in the Fe nanoparticles. The samples were prepared directly from the gas phase by co-deposition, using a gas aggregation source and MBE-type sources respectively for the nanoparticle and matrix materials. The structure change in the Fe nanoparticles is accompanied by a sharp increase in atomic magnetic moment, ultimately to values of ∼2.5 ± 0.3 μ B /atom. (paper)

Classical and quantum analysis of one-dimensional velocity selection for ultracold atoms

International Nuclear Information System (INIS)

Fox, J K; Kim, H A; Mishra, S R; Myrskog, S H; Jofre, A M; Segal, L R; Kim, J B; Steinberg, A M

2005-01-01

We discuss a velocity selection technique for obtaining cold atoms, in which all atoms below a certain energy are spatially selected from the surrounding atom cloud. Velocity selection can in some cases be more efficient than other cooling techniques for the preparation of ultracold atom clouds in one dimension. With quantum mechanical and classical simulations and theory we present a scheme using a dipole force barrier to select the coldest atoms from a magnetically trapped atom cloud. The dipole and magnetic potentials create a local minimum which traps the coldest atoms. A unique advantage of this technique is the sharp cut-off in the velocity distribution of the sample of selected atoms. Such a non-thermal distribution should prove useful for a variety of experiments, including proposed studies of atomic tunnelling and scattering from quantum potentials. We show that when the rms size of the atom cloud is smaller than the local minimum in which the selected atoms are trapped, the velocity selection technique can be more efficient in one dimension than some common techniques such as evaporative cooling. For example, one simulation shows nearly 6% of the atoms retained at a temperature 100 times lower than the starting condition

Evaluation of Effects of Warning Sign Position on Driving Behavior in Horizontal Sharp Curves

Directory of Open Access Journals (Sweden)

Xiao-hua Zhao

2015-02-01

Full Text Available In present time, the guidelines on warning sign position in the China National Standard lack detailed and standard regulations of placing warning signs on sharp curves, which may cause road safety problems. Therefore, this paper briefly discussed how to optimize the position of a warning sign on a sharp curve through a driving simulator experiment. This study concluded that a warning sign placed at different positions prior to a sharp curve will have different influence ranges for drivers approaching and negotiating the curve. Meanwhile, different positions of a warning sign imposed different effect obviously on the adjustment of vehicle's lane position on sharp curves with the same radius, especially at the midpoint of a sharp curve. The evaluation results of five positions (0 m, 50 m, 100 m, 200 m, and 400 m in advance showed that only when the warning signs were placed 100 m or 200 m prior to sharp curves, can they achieve positive influence on driving behavior. On this basis, the authors look forward to providing rationalization proposals in selecting the best position of a warning sign on a sharp curve for the engineering implementation and national standard.

Electronic structure of semiconductor interfaces

Energy Technology Data Exchange (ETDEWEB)

Herman, F

1983-02-01

The study of semiconductor interfaces is one of the most active and exciting areas of current semiconductor research. Because interfaces play a vital role in modern semiconductor technology (integrated circuits, heterojunction lasers, solar cells, infrared detectors, etc.), there is a strong incentive to understand interface properties at a fundamental level and advance existing technology thereby. At the same time, technological advances such as molecular beam epitaxy have paved the way for the fabrication of semiconductor heterojunctions and superlattices of novel design which exhibit unusual electronic, optical, and magnetic properties and offer unique opportunities for fundamental scientific research. A general perspective on this subject is offered treating such topics as the atomic and electronic structure of semiconductor surfaces and interfaces; oxidation and oxide layers; semiconductor heterojunctions and superlattices; rectifying metal-semiconductor contacts; and interface reactions. Recent progress is emphasized and some future directions are indicated. In addition, the role that large-scale scientific computation has played in furthering our theoretical understanding of semiconductor surfaces and interfaces is discussed. Finally, the nature of theoretical models, and the role they play in describing the physical world is considered.

Electronic structure of semiconductor interfaces

International Nuclear Information System (INIS)

Herman, F.

1983-01-01

The study of semiconductor interfaces is one of the most active and exciting areas of current semiconductor research. Because interfaces play a vital role in modern semiconductor technology (integrated circuits, heterojunction lasers, solar cells, infrared detectors, etc.), there is a strong incentive to understand interface properties at a fundamental level and advance existing technology thereby. At the same time, technological advances such as molecular beam epitaxy have paved the way for the fabrication of semiconductor heterojunctions and superlattices of novel design which exhibit unusual electronic, optical, and magnetic properties and offer unique opportunities for fundamental scientific research. A general perspective on this subject is offered treating such topics as the atomic and electronic structure of semiconductor surfaces and interfaces; oxidation and oxide layers; semiconductor heterojunctions and superlattices; rectifying metal-semiconductor contacts; and interface reactions. Recent progress is emphasized and some future directions are indicated. In addition, the role that large-scale scientific computation has played in furthering our theoretical understanding of semiconductor surfaces and interfaces is discussed. Finally, the nature of theoretical models, and the role they play in describing the physical world is considered. (Author) [pt

On the sharp front-type solution of the Nagumo equation with ...

Indian Academy of Sciences (India)

One of the methods is to solve the travelling wave equations and compute an exact solution which describes the sharp travelling wavefront. The second method is to solve numer- ically an initial-moving boundary-value problem for the partial differential equation and obtain an approximation for this sharp front-type solution.

Doppleron resonances in the diffraction of atoms by an evanescent field

International Nuclear Information System (INIS)

Murphy, J.E.; Hollenberg, L.C.L.; Smith, A.E.

1994-01-01

The diffracted intensities of sodium atoms by a standing evanescent light wave near the three doppleron resonance are calculated using a multi-slice technique. This calculation predicts a sharp dip in the reflected intensity of the specular beam for a detuning slightly below resonance. Such phenomena has been observed experimentally and can be understood using the dressed state picture. 4 refs., 2 tabs., 3 figs

In Situ Adsorption Studies at the Solid/Liquid Interface: Characterization of Biological Surfaces and Interfaces Using Sum Frequency Generation Vibrational Spectroscopy, Atomic Force Microscopy, and Quartz Crystal Microbalance

International Nuclear Information System (INIS)

Phillips, D.C.

2006-01-01

Sum frequency generation (SFG) vibrational spectroscopy, atomic force microscopy (AFM), and quartz crystal microbalance (QCM) have been used to study the molecular surface structure, surface topography and mechanical properties, and quantitative adsorbed amount of biological molecules at the solid-liquid interface. The molecular-level behavior of designed peptides adsorbed on hydrophobic polystyrene and hydrophilic silica substrates has been examined as a model of protein adsorption on polymeric biomaterial surfaces. Proteins are such large and complex molecules that it is difficult to identify the features in their structure that lead to adsorption and interaction with solid surfaces. Designed peptides which possess secondary structure provide simple model systems for understanding protein adsorption. Depending on the amino acid sequence of a peptide, different secondary structures (α-helix and β-sheet) can be induced at apolar (air/liquid or air/solid) interfaces. Having a well-defined secondary structure allows experiments to be carried out under controlled conditions, where it is possible to investigate the affects of peptide amino acid sequence and chain length, concentration, buffering effects, etc. on adsorbed peptide structure. The experiments presented in this dissertation demonstrate that SFG vibrational spectroscopy can be used to directly probe the interaction of adsorbing biomolecules with a surface or interface. The use of well designed model systems aided in isolation of the SFG signal of the adsorbing species, and showed that surface functional groups of the substrate are sensitive to surface adsorbates. The complementary techniques of AFM and QCM allowed for deconvolution of the effects of surface topography and coverage from the observed SFG spectra. Initial studies of biologically relevant surfaces are also presented: SFG spectroscopy was used to study the surface composition of common soil bacteria for use in bioremediation of nuclear waste

In Situ Adsorption Studies at the Solid/Liquid Interface:Characterization of Biological Surfaces and Interfaces Using SumFrequency Generation Vibrational Spectroscopy, Atomic Force Microscopy,and Quartz Crystal Microbalance

Energy Technology Data Exchange (ETDEWEB)

Phillips, Diana Christine [Univ. of California, Berkeley, CA (United States)

2006-01-01

Sum frequency generation (SFG) vibrational spectroscopy, atomic force microscopy (AFM), and quartz crystal microbalance (QCM) have been used to study the molecular surface structure, surface topography and mechanical properties, and quantitative adsorbed amount of biological molecules at the solid-liquid interface. The molecular-level behavior of designed peptides adsorbed on hydrophobic polystyrene and hydrophilic silica substrates has been examined as a model of protein adsorption on polymeric biomaterial surfaces. Proteins are such large and complex molecules that it is difficult to identify the features in their structure that lead to adsorption and interaction with solid surfaces. Designed peptides which possess secondary structure provide simple model systems for understanding protein adsorption. Depending on the amino acid sequence of a peptide, different secondary structures (α-helix and β-sheet) can be induced at apolar (air/liquid or air/solid) interfaces. Having a well-defined secondary structure allows experiments to be carried out under controlled conditions, where it is possible to investigate the affects of peptide amino acid sequence and chain length, concentration, buffering effects, etc. on adsorbed peptide structure. The experiments presented in this dissertation demonstrate that SFG vibrational spectroscopy can be used to directly probe the interaction of adsorbing biomolecules with a surface or interface. The use of well designed model systems aided in isolation of the SFG signal of the adsorbing species, and showed that surface functional groups of the substrate are sensitive to surface adsorbates. The complementary techniques of AFM and QCM allowed for deconvolution of the effects of surface topography and coverage from the observed SFG spectra. Initial studies of biologically relevant surfaces are also presented: SFG spectroscopy was used to study the surface composition of common soil bacteria for use in bioremediation of nuclear waste.

Four year-old girl with having bled intestinal sharp

International Nuclear Information System (INIS)

Rodriguez Toro, Gerzain

2001-01-01

Indigenous girl, natural of Vaupes, Colombia conduction to the Mitu Hospital to present depositions with bleed. Their father says that the girl is sick for two days; she presents anorexia, moderate abdominal pain and vomit scarce postprandial, followed by discreet diarrhea and of two depositions with blood and abundant clots, with posterior syncope. It confirms a bled digestive with sharp anemic syndrome. The possibilities of gastritis sharp erosive, gastric ulcer or duodenal and intestinal poliparasitism are suggested. It is diagnosed abdominal angioestrongilosis, illness produce by helminths that lives inside the blind and the distal ileum

First Principle simulations of electrochemical interfaces - a DFT study

DEFF Research Database (Denmark)

Ahmed, Rizwan

for the whole system to qualify as a proper electrochemical interface. I have also contributed to the model, which accounts for pH in the first principle electrode-electrolyte interface simulations. This is an important step forward, since electrochemical reaction rate and barrier for charge transfer can......In this thesis, I have looked beyond the computational hydrogen electrode (CHE) model, and focused on the first principle simulations which treats the electrode-electrolyte interfaces explicitly. Since obtaining a realistic electrode-electrolyte interface was difficult, I aimed to address various...... challenges regarding first principle electrochemical interface modeling in order to bridge the gap between the model interface used in simulations and real catalyst at operating conditions. Atomic scale insight for the processes and reactions that occur at the electrochemical interface presents a challenge...

Sharp fronts within geochemical transport problems

International Nuclear Information System (INIS)

Grindrod, P.

1995-01-01

The authors consider some reactive geochemical transport problems in groundwater systems. When incoming fluid is in disequilibrium with the mineralogy sharp transition fronts may develop. They show that this is a generic property for a class of systems where the timescales associated with reaction and diffusion phenomena are much shorter than those associated with advective transport. Such multiple timescale problems are relevant to a variety of processes in natural systems: mathematically methods of singular perturbation theory reduce the dimension of the problems to be solved locally. Furthermore, they consider how spatial heterogeneous mineralogy can impact upon the propagation of sharp geochemical fronts. The authors developed an asymptotic approach in which they solve equations for the evolving geometry of the front and indicate how the non-smooth perturbations due to natural heterogeneity of the mineralogy on underlying ground water flow field are balanced against the smoothing effect of diffusion/dispersive processes. Fronts are curvature damped, and the results here indicate the generic nature of separate front propagation within both model (idealized) and natural (heterogeneous) geochemical systems

Modeling of interface roughness in thermoelectric composite materials

International Nuclear Information System (INIS)

Gather, F; Heiliger, C; Klar, P J

2011-01-01

We use a network model to calculate the influence of the mesoscopic interface structure on the thermoelectric properties of superlattice structures consisting of alternating layers of materials A and B. The thermoelectric figure of merit of such a composite material depends on the layer thickness, if interface resistances are accounted for, and can be increased by proper interface design. In general, interface roughness reduces the figure of merit, again compared to the case of ideal interfaces. However, the strength of this reduction depends strongly on the type of interface roughness. Smooth atomic surface diffusion leading to alloying of materials A and B causes the largest reduction of the figure of merit. Consequently, in real structures, it is important not only to minimize interface roughness, but also to control the type of roughness. Although the microscopic effects of interfaces are only empirically accounted for, using a network model can yield useful information about the dependence of the macroscopic transport coefficients on the mesoscopic disorder in structured thermoelectric materials.

Consideration of vision and picture quality: psychological effects induced by picture sharpness

Science.gov (United States)

Kusaka, Hideo

1989-08-01

A psychological hierarchy model of human vision(1)(2) suggests that the visual signals are processed in a serial manner from lower to higher stages: that is "sensation" - "perception" - "emotion." For designing a future television system, it is important to find out what kinds of physical factors affect the "emotion" experienced by an observer in front of the display. This paper describes the psychological effects induced by the sharpness of the picture. The subjective picture quality was evaluated for the same pictures with five different levels of sharpness. The experiment was performed on two kinds of printed pictures: (A) a woman's face, and (B) a town corner. From these experiments, it was found that the amount of high-frequency peaking (physical value of the sharpness) which psychologically gives the best picture quality, differs between pictures (A) and (B). That is, the optimum picture sharpness differs depending on the picture content. From these results, we have concluded that the psychophysical sharpness of the picture is not only determined at the stage of "perception" (e.g., resolution or signal to noise ratio, which everyone can judge immediately), but also at the stage of "emotion" (e.g., sensation of reality or beauty).

Weapon Use in Korean Homicide: Differences Between Homicides Involving Sharp and Blunt Instruments.

Science.gov (United States)

Park, Jisun; Son, Hyeonseo

2017-10-23

On the basis of information regarding 276 homicides committed in South Korea between 1987 and 2008, we compared offenders' and victims' characteristics, injury locations, weapon-related behavior, and offending behavior between homicides involving sharp and blunt instruments. The victims of sharp-force homicide were much younger relative to those of blunt-force homicide. In addition, homicides involving blunt instruments were more likely to be committed by offenders who lived with the victims. Most sharp-force homicides involved injuries to the torso, while blunt-force homicides involved mainly head injuries. Furthermore, perpetrators of sharp-force homicides tended to preselect their weapons, while those of blunt-force homicides were likely to use weapons of opportunity. Logistic regression analysis identified a number of factors, including injury location and body transportation, which significantly predicted weapon type. As this was the first South Korean study to compare sharp- and blunt-force homicides, the results have practical implications for homicide investigations. © 2017 American Academy of Forensic Sciences.

Davisson-Germer Prize in Atomic or Surface Physics Talk: Soft X-Ray Studies of Surfaces, Interfaces and Thin Films: From Spectroscopy to Ultrafast Nanoscale Movies

Science.gov (United States)

Stöhr, Joachim

2011-03-01

My talk will review the development of soft x-ray spectroscopy and microscopy and its impact on our understanding of chemical bonding, magnetism and dynamics at surfaces and interfaces. I will first outline important soft x-ray spectroscopy and microscopy techniques that have been developed over the last 30 years and their key strengths such as elemental and chemical specificity, sensitivity to small atomic concentrations, separation of charge and spin properties, spatial resolution down to the nanometer scale, and temporal resolution down to the intrinsic femtosecond timescale of atomic and electronic motions. I will then present scientific breakthroughs based on soft x-ray studies in three selected areas: the nature of molecular bonding and reactivity on metal surfaces, the molecular origin of liquid crystal alignment on surfaces, and the microscopic origin of interface-mediated spin alignments in modern magnetic devices. My talk will also cover the use of soft x-rays for revealing the temporal evolution of electronic structure, addressing the key problem of ``function,'' down to the intrinsic femtosecond time scale of charge and spin configuration changes. As examples I will present the formation and breaking of chemical bonds in surface complexes and the motion of the magnetization in magnetic devices. Work supported by the Office of Basic Energy Science of the US Department of Energy.

Formation mechanism for the nanoscale amorphous interface in pulse-welded Al/Fe bimetallic systems

International Nuclear Information System (INIS)

Li, Jingjing; Yu, Qian; Zhang, Zijiao; Xu, Wei; Sun, Xin

2016-01-01

Pulse or impact welding traditionally has been referred to as “solid-state” welding. By integrating advanced interface characterizations and diffusion calculations, we report that the nanoscale amorphous interface in the pulse-welded Al/Fe bimetallic system is formed by rapid heating and melting of a thin Al layer at the interface, diffusion of iron atoms in the liquid aluminum, and subsequent rapid quenching with diffused iron atoms in solution. This finding challenges the commonly held belief regarding the solid-state nature of the impact-based welding process for dissimilar metals. Elongated ultra-fine grains with high dislocation density and ultra-fine equiaxed grains also are observed in the weld interface vicinity on the steel and aluminum sides, respectively, which further confirms that melting and the subsequent recrystallization occurred on the aluminum side of the interface.

Formation mechanism for the nanoscale amorphous interface in pulse-welded Al/Fe bimetallic systems

Energy Technology Data Exchange (ETDEWEB)

Li, Jingjing [Department of Mechanical Engineering, The University of Hawaii at Manoa, Honolulu, Hawaii 96822 (United States); Yu, Qian; Zhang, Zijiao [Department of Materials Science and Engineering, Center for Electron Microscope, Zhejiang University, Hangzhou 310027 (China); Xu, Wei; Sun, Xin, E-mail: xin.sun@pnnl.gov [Pacific Northwest National Laboratory, Richland, Washington 99354 (United States)

2016-05-16

Pulse or impact welding traditionally has been referred to as “solid-state” welding. By integrating advanced interface characterizations and diffusion calculations, we report that the nanoscale amorphous interface in the pulse-welded Al/Fe bimetallic system is formed by rapid heating and melting of a thin Al layer at the interface, diffusion of iron atoms in the liquid aluminum, and subsequent rapid quenching with diffused iron atoms in solution. This finding challenges the commonly held belief regarding the solid-state nature of the impact-based welding process for dissimilar metals. Elongated ultra-fine grains with high dislocation density and ultra-fine equiaxed grains also are observed in the weld interface vicinity on the steel and aluminum sides, respectively, which further confirms that melting and the subsequent recrystallization occurred on the aluminum side of the interface.

Weighting of field heights for sharpness and noisiness

Science.gov (United States)

Keelan, Brian W.; Jin, Elaine W.

2009-01-01

Weighting of field heights is important in cases when a single numerical value needs to be calculated that characterizes an attribute's overall impact on perceived image quality. In this paper we report an observer study to derive the weighting of field heights for sharpness and noisiness. One-hundred-forty images were selected to represent a typical consumer photo space distribution. Fifty-three sample points were sampled per image, representing field heights of 0, 14, 32, 42, 51, 58, 71, 76, 86% and 100%. Six observers participated in this study. The field weights derived in this report include both: the effect of area versus field height (which is a purely objective, geometric factor); and the effect of the spatial distribution of image content that draws attention to or masks each of these image structure attributes. The results show that relative to the geometrical area weights, sharpness weights were skewed to lower field heights, because sharpness-critical subject matter was often positioned relatively near the center of an image. Conversely, because noise can be masked by signal, noisiness-critical content (such as blue skies, skin tones, walls, etc.) tended to occur farther from the center of an image, causing the weights to be skewed to higher field heights.

Atomic bonding between metal and graphene

KAUST Repository

Wang, Hongtao

2013-03-07

To understand structural and chemical properties of metal-graphene composites, it is crucial to unveil the chemical bonding along the interface. We provide direct experimental evidence of atomic bonding between typical metal nano structures and graphene, agreeing well with density functional theory studies. Single Cr atoms are located in the valleys of a zigzag edge, and few-atom ensembles preferentially form atomic chains by self-assembly. Low migration barriers lead to rich dynamics of metal atoms and clusters under electron irradiation. We demonstrate no electron-instigated interaction between Cr clusters and pristine graphene, though Cr has been reported to be highly reactive to graphene. The metal-mediated etching is a dynamic effect between metal clusters and pre-existing defects. The resolved atomic configurations of typical nano metal structures on graphene offer insight into modeling and simulations on properties of metal-decorated graphene for both catalysis and future carbon-based electronics. © 2013 American Chemical Society.

RBS study of Ti/ZnO interface

International Nuclear Information System (INIS)

Rahman, A.M.A.; Narusawa, T.

2008-01-01

We have studied the interface stability of the Ti(overlayer)/ZnO(substrate) system. Ti thin film was grown on the Zn face of single crystal ZnO(0 0 0 1) substrate by the vacuum deposition technique. The Ti film thickness was typically 16 nm. Then the samples were annealed in air at 300 and 400 deg. C for 15 min, respectively. The deposition and annealing effects on the interface structure were investigated with Rutherford backscattering and channeling spectroscopy using 2 MeV He + ion beam. After Ti deposition the minimum yield from the ZnO substrate increased from 2% to 7%. This suggests severe damage caused by deposition, i.e. the interface reaction between Ti and ZnO (even at room temperature). A significant amount of Zn (approximately 6.4 x 10 16 atoms/cm 2 ) moved onto the surface after post-annealing at 400 deg. C. Since Ti has a stronger tendency to react with O than Zn, it is expected that Ti reacts with substrate oxygen leaving behind free Zn atoms, which can easily migrate onto the surface. We discuss how the Ti/ZnO interface reaction in detail, and seek to find another good metallic contact for ZnO devices, which are attracting much attention recently for practical applications as well as scientific aspects

Magnetic-film atom chip with 10 μm period lattices of microtraps for quantum information science with Rydberg atoms.

Science.gov (United States)

Leung, V Y F; Pijn, D R M; Schlatter, H; Torralbo-Campo, L; La Rooij, A L; Mulder, G B; Naber, J; Soudijn, M L; Tauschinsky, A; Abarbanel, C; Hadad, B; Golan, E; Folman, R; Spreeuw, R J C

2014-05-01

We describe the fabrication and construction of a setup for creating lattices of magnetic microtraps for ultracold atoms on an atom chip. The lattice is defined by lithographic patterning of a permanent magnetic film. Patterned magnetic-film atom chips enable a large variety of trapping geometries over a wide range of length scales. We demonstrate an atom chip with a lattice constant of 10 μm, suitable for experiments in quantum information science employing the interaction between atoms in highly excited Rydberg energy levels. The active trapping region contains lattice regions with square and hexagonal symmetry, with the two regions joined at an interface. A structure of macroscopic wires, cutout of a silver foil, was mounted under the atom chip in order to load ultracold (87)Rb atoms into the microtraps. We demonstrate loading of atoms into the square and hexagonal lattice sections simultaneously and show resolved imaging of individual lattice sites. Magnetic-film lattices on atom chips provide a versatile platform for experiments with ultracold atoms, in particular for quantum information science and quantum simulation.

Magnetic-film atom chip with 10 μm period lattices of microtraps for quantum information science with Rydberg atoms

Energy Technology Data Exchange (ETDEWEB)

Leung, V. Y. F. [Van der Waals-Zeeman Institute, University of Amsterdam, Science Park 904, PO Box 94485, 1090 GL Amsterdam (Netherlands); Complex Photonic Systems (COPS), MESA Institute for Nanotechnology, University of Twente, PO Box 217, 7500 AE Enschede (Netherlands); Pijn, D. R. M.; Schlatter, H.; Torralbo-Campo, L.; La Rooij, A. L.; Mulder, G. B.; Naber, J.; Soudijn, M. L.; Tauschinsky, A.; Spreeuw, R. J. C., E-mail: r.j.c.spreeuw@uva.nl [Van der Waals-Zeeman Institute, University of Amsterdam, Science Park 904, PO Box 94485, 1090 GL Amsterdam (Netherlands); Abarbanel, C.; Hadad, B.; Golan, E. [Ilse Katz Institute for Nanoscale Science and Technology, Ben-Gurion University of the Negev, Be' er Sheva 84105 (Israel); Folman, R. [Department of Physics and Ilse Katz Institute for Nanoscale Science and Technology, Ben-Gurion University of the Negev, Be' er Sheva 84105 (Israel)

2014-05-15

We describe the fabrication and construction of a setup for creating lattices of magnetic microtraps for ultracold atoms on an atom chip. The lattice is defined by lithographic patterning of a permanent magnetic film. Patterned magnetic-film atom chips enable a large variety of trapping geometries over a wide range of length scales. We demonstrate an atom chip with a lattice constant of 10 μm, suitable for experiments in quantum information science employing the interaction between atoms in highly excited Rydberg energy levels. The active trapping region contains lattice regions with square and hexagonal symmetry, with the two regions joined at an interface. A structure of macroscopic wires, cutout of a silver foil, was mounted under the atom chip in order to load ultracold {sup 87}Rb atoms into the microtraps. We demonstrate loading of atoms into the square and hexagonal lattice sections simultaneously and show resolved imaging of individual lattice sites. Magnetic-film lattices on atom chips provide a versatile platform for experiments with ultracold atoms, in particular for quantum information science and quantum simulation.

Oxide surfaces and metal/oxide interfaces studied by grazing incidence X-ray scattering

Science.gov (United States)

Renaud, Gilles

Experimental determinations of the atomic structure of insulating oxide surfaces and metal/oxide interfaces are scarce, because surface science techniques are often limited by the insulating character of the substrate. Grazing incidence X-ray scattering (GIXS), which is not subject to charge effects, can provide very precise information on the atomic structure of oxide surfaces: roughness, relaxation and reconstruction. It is also well adapted to analyze the atomic structure, the registry, the misfit relaxation, elastic or plastic, the growth mode and the morphology of metal/oxide interfaces during their growth, performed in situ. GIXS also allows the analysis of thin films and buried interfaces, in a non-destructive way, yielding the epitaxial relationships, and, by variation of the grazing incidence angle, the lattice parameter relaxation along the growth direction. On semi-coherent interfaces, the existence of an ordered network of interfacial misfit dislocations can be demonstrated, its Burger's vector determined, its ordering during in situ annealing cycles followed, and sometimes even its atomic structure can be addressed. Careful analysis during growth allows the modeling of the dislocation nucleation process. This review emphasizes the new information that GIXS can bring to oxide surfaces and metal/oxide interfaces by comparison with other surface science techniques. The principles of X-ray diffraction by surfaces and interfaces are recalled, together with the advantages and properties of grazing angles. The specific experimental requirements are discussed. Recent results are presented on the determination of the atomic structure of relaxed or reconstructed oxide surfaces. A description of results obtained during the in situ growth of metal on oxide surfaces is also given, as well as investigations of thick metal films on oxide surfaces, with lattice parameter misfit relaxed by an array of dislocations. Recent work performed on oxide thin films having

Point defect stability in a semicoherent metallic interface

Science.gov (United States)

González, C.; Iglesias, R.; Demkowicz, M. J.

2015-02-01

We present a comprehensive density functional theory (DFT) -based study of different aspects of one vacancy and He impurity atom behavior at semicoherent interfaces between the low-solubility transition metals Cu and Nb. Such interfaces have not been previously modeled using DFT. A thorough analysis of the stability and mobility of the two types of defects at the interfaces and neighboring internal layers has been performed and the results have been compared to the equivalent cases in the pure metallic matrices. The different behavior of fcc and bcc metals on both sides of the interface has been specifically assessed. The modeling effort undertaken is the first attempt to study the stability and defect energetics of noncoherent Cu/Nb interfaces from first principles, in order to assess their potential use in radiation-resistant materials.

The effectiveness of sharp end and rounded end bristle toothbrush

OpenAIRE

Paulus Januar; Anastasia Susetyo; Ratih Widyastuti

2010-01-01

Background: Numerous designs of manual toothbrush are available in the market with the claims of superiority in plaque removal. It often makes the public confuse which is the best design. The sharp end bristle toothbrush is a modification that commercially available in the market. Purpose: The objective of the study was to compare the effectiveness in plaque removal of the sharp end bristle toothbrush and the rounded end bristle toothbrush. Methods: This clinical trial was a double blind cros...

PRACTICES FOR PREVENTION NEEDLESTICK AND SHARPS INJURIES AMONG NURSING STUDENTS

Directory of Open Access Journals (Sweden)

Anh Tran Thi Quynh

2017-07-01

Full Text Available Background: Needlestick and sharp injuries are a serious hazard in any health care setting for health care workers and students during clinical practice. Thus, the efforts to prevent the needlestick and sharps injuries are needed and considered a part of the routine practice. Objective: This study aimed to investigate the frequency of nursing students in doing the correct practice in prevention needlestick and sharps injuries. Methods: This cross- sectional study was conducted between 2013 and 2014 in nursing students of Tien Giang Medical College who participated in clinical practice. There were 360 students participated in the study using simple random sampling. Data were collected using the practical assessment checklist and demographic characteristics questionnaire. Data were processed using STATA 12.0, and analyzed using Chi-square and Fisher test. Results: The students who did general practice correctly accounted for 52.50%, and those who did practice incorrectly was 47.5%. The students who used gauze or wool wrap in inhaler were 59.7%, wearing gloves in practice (39.2%, do not disassemble needles from syringes after injection 50%, and removing needles into barrel after injection (65.6%. There was statistically significant relationship between time of participation in clinical practice and correct practice with p-value 0.04 (<0.05 Conclusion: The correct practice of nursing students related to the prevention of needlestick and sharps injuries remains low. There was a significant relationship between time of participation in clinical practice and correct nursing practice. It is suggested that students must be taught about the risk of infection at the beginning of clinical practice, and constantly reminded throughout the learning process, especially for injection safety awareness, knowledge and techniques about the risk of transmission of HBV, HCV and HIV by sharp objects in the healthcare facility.

Quantum Spin Lenses in Atomic Arrays

Directory of Open Access Journals (Sweden)

A. W. Glaetzle

2017-09-01

Full Text Available We propose and discuss quantum spin lenses, where quantum states of delocalized spin excitations in an atomic medium are focused in space in a coherent quantum process down to (essentially single atoms. These can be employed to create controlled interactions in a quantum light-matter interface, where photonic qubits stored in an atomic ensemble are mapped to a quantum register represented by single atoms. We propose Hamiltonians for quantum spin lenses as inhomogeneous spin models on lattices, which can be realized with Rydberg atoms in 1D, 2D, and 3D, and with strings of trapped ions. We discuss both linear and nonlinear quantum spin lenses: in a nonlinear lens, repulsive spin-spin interactions lead to focusing dynamics conditional to the number of spin excitations. This allows the mapping of quantum superpositions of delocalized spin excitations to superpositions of spatial spin patterns, which can be addressed by light fields and manipulated. Finally, we propose multifocal quantum spin lenses as a way to generate and distribute entanglement between distant atoms in an atomic lattice array.

A variational treatment of material configurations with application to interface motion and microstructural evolution

Science.gov (United States)

Teichert, Gregory H.; Rudraraju, Shiva; Garikipati, Krishna

2017-02-01

We present a unified variational treatment of evolving configurations in crystalline solids with microstructure. The crux of our treatment lies in the introduction of a vector configurational field. This field lies in the material, or configurational, manifold, in contrast with the traditional displacement field, which we regard as lying in the spatial manifold. We identify two distinct cases which describe (a) problems in which the configurational field's evolution is localized to a mathematically sharp interface, and (b) those in which the configurational field's evolution can extend throughout the volume. The first case is suitable for describing incoherent phase interfaces in polycrystalline solids, and the latter is useful for describing smooth changes in crystal structure and naturally incorporates coherent (diffuse) phase interfaces. These descriptions also lead to parameterizations of the free energies for the two cases, from which variational treatments can be developed and equilibrium conditions obtained. For sharp interfaces that are out-of-equilibrium, the second law of thermodynamics furnishes restrictions on the kinetic law for the interface velocity. The class of problems in which the material undergoes configurational changes between distinct, stable crystal structures are characterized by free energy density functions that are non-convex with respect to configurational strain. For physically meaningful solutions and mathematical well-posedness, it becomes necessary to incorporate interfacial energy. This we have done by introducing a configurational strain gradient dependence in the free energy density function following ideas laid out by Toupin (1962, Elastic materials with couple-stresses. Arch. Ration. Mech. Anal., 11, 385-414). The variational treatment leads to a system of partial differential equations governing the configuration that is coupled with the traditional equations of nonlinear elasticity. The coupled system of equations governs

Passive scalar dynamics near the turbulent/nonturbulent interface in a jet

Science.gov (United States)

Taveira, Rodrigo R.; da Silva, Carlos

2011-11-01

The present work uses several direct numerical simulations (DNS) of turbulent planar jets at Reynolds number ranging from Reλ = 120 to Reλ = 160 and Schmidt numbers raging from Sc = 0 . 7 to 7.0 to analyze the nature and properties of the ``scalar interface'' and to investigate the dynamics of turbulent mixing of a passive scalar. Specifically, we employ conditional statistics in relation to the distance from the T/NT interface in order to eliminate the intermittency that affects common turbulence statistics close to the jet edge. The physical mechanisms behind scalar mixing near the T/NT interfaces and their associated turbulent scales and topology are investigated. A sharp scalar interface exists separating the Turbulent and the irrotational flow regions. The thickness of this scalar interface δθ is also of the order of the Taylor micro-scale, λ. However, the thickness of the scalar gradient variance I (where Gj = ∂ θ / ∂xj) is much smaller. Very intense scalar gradient sheet structures along regions of intense strain, in particular at the T/NT interface. The scalar gradient transport equation is analyzed in order to further investigate the physical mechanism of scalar turbulent mixing at the jet edge. Almost all mixing takes place in a confined region close to the interface, beyond which they become reduced to an almost in perfect - balance between production and dissipation of scalar variance.

SHARP: A multi-mission artificial intelligence system for spacecraft telemetry monitoring and diagnosis

Science.gov (United States)

Lawson, Denise L.; James, Mark L.

1989-01-01

The Spacecraft Health Automated Reasoning Prototype (SHARP) is a system designed to demonstrate automated health and status analysis for multi-mission spacecraft and ground data systems operations. Telecommunications link analysis of the Voyager 2 spacecraft is the initial focus for the SHARP system demonstration which will occur during Voyager's encounter with the planet Neptune in August, 1989, in parallel with real time Voyager operations. The SHARP system combines conventional computer science methodologies with artificial intelligence techniques to produce an effective method for detecting and analyzing potential spacecraft and ground systems problems. The system performs real time analysis of spacecraft and other related telemetry, and is also capable of examining data in historical context. A brief introduction is given to the spacecraft and ground systems monitoring process at the Jet Propulsion Laboratory. The current method of operation for monitoring the Voyager Telecommunications subsystem is described, and the difficulties associated with the existing technology are highlighted. The approach taken in the SHARP system to overcome the current limitations is also described, as well as both the conventional and artificial intelligence solutions developed in SHARP.

Atomic structure and potential energy of β-Si3N4/diamond interface in the process of detachment: A first-principles study

Science.gov (United States)

Chen, Naichao; Chen, Yingchao; Ai, Jun; Li, Cheng; He, Ping; Ren, Jianxing; Zhu, Quanjun

2018-03-01

Peeling is regarded as a main technique barrier for the application of coating. Many factors affects the peeling of coating. Among them, the interfacial properties between coating and substrate plays a vital role. In this work, the β-Si3N4/diamond interface is conducted as the sample to study the changes in atomic structure and potential energy in the process of detachment by the first-principles calculations. The β-Si3N4/diamond (2 × 2) crystal unit is used as the calculated model. The detachment is simulated by moving up β-Si3N4 far from diamond by the 0.1 Å of each step. The results show that in the beginning of detachment, the bonds in the interface keep a constant length, rather than extension like spring. When the distance between β-Si3N4 and diamond reaches a certain distance, the interfacial bonds would suddenly break, and the elongated β-Si3N4 resumes its original statues indicating that the interface between two surfaces may exist a threshold value to control the peeling. When the external force is less than this threshold value, the peeling of coating would not occur. However, once the external force is greater than this one, the peeling would immediately present. The interface presents the brittle failure in the process of detachment, which is in good agreement with the experimental observation. Meanwhile, the different physical properties between van der Waals and quantum effects lead to the transient status in the process of detachment, where although the interfacial bonds are broken, the adhesive strength is still strong due to its low negative adsorption energy.

Virtual half-metallicity at the CoS2/FeS2 interface induced by strain

KAUST Repository

Nazir, Safdar; Schwingenschlö gl, Udo

2013-01-01

of the interface structure is taken into account by atomic force minimization. We find that both Co and Fe are close to half-metallicity at the interface. Tensile strain is shown to strongly enhance the spin polarization so that a virtually half-metallic interface

Fermi level pinning by integer charge transfer at electrode-organic semiconductor interfaces

NARCIS (Netherlands)

Bokdam, Menno; Cakir, Deniz; Brocks, G.

2011-01-01

The atomic structure of interfaces between conducting electrodes and molecular organic materials varies considerably. Yet experiments show that pinning of the Fermi level, which is observed at such interfaces, does not depend upon the structural details. In this letter, we develop a general model to

Character of the intense 4d. -->. f resonances in atomic La and Tm

Energy Technology Data Exchange (ETDEWEB)

Radtke, E R [Bonn Univ. (Germany, F.R.). Physikalisches Inst.

1979-02-14

Observations of the 4 d absorption spectra of atomic La and Tm are reported. It is shown that the RPAE predictions for the 4d..-->.. epsilonf cross section in La I are currently closest to experiment. In Tm I a quite sharp autoionising resonance is observed. The differences between the two spectra are discussed with reference to ab initio calculations.

Colloid and interface chemistry for nanotechnology

CERN Document Server

Kralchevsky, Peter; Ravera, Francesca

2016-01-01

Colloid and interface science dealt with nanoscale objects for nearly a century before the term nanotechnology was coined. An interdisciplinary field, it bridges the macroscopic world and the small world of atoms and molecules. Colloid and Interface Chemistry for Nanotechnology is a collection of manuscripts reflecting the activities of research teams that have been involved in the networking project Colloid and Interface Chemistry for Nanotechnology (2006-2011), Action D43, the European Science Foundation. The project was a part of the intergovernmental framework for Cooperation in Science and Technology (COST), allowing the coordination of nationally funded research across Europe. With contributions by leading experts, this book covers a wide range of topics. Chapters are grouped into three sections: "Nanoparticle Synthesis and Characterization," "New Experimental Tools and Interpretation," and "Nanocolloidal Dispersions and Interfaces." The topics covered belong to six basic research areas: (1) The synthes...

Solid Surfaces, Interfaces and Thin Films

CERN Document Server

Lüth, Hans

2010-01-01

This book emphasises both experimental and theoretical aspects of surface, interface and thin film physics. As in previous editions the preparation of surfaces and thin films, their atomic and morphological, their vibronic and electronic properties as well as fundamentals of adsorption are treated. Because of their importance in modern information technology and nanostructure physics particular emphasis is paid to electronic surface and interface states, semiconductor space charge layers and heterostructures as well as to superconductor/semiconductor interfaces and magnetic thin films. The latter topic was significantly extended in this new edition by more details about the giant magnetoresistance and a section about the spin-transfer torque mechanism including one new problem as exercise. Two new panels about Kerr-effect and spin-polarized scanning tunnelling microscopy were added, too. Furthermore, the meanwhile important group III-nitride surfaces and high-k oxide/semiconductor interfaces are shortly discu...

ENVIRONMENTAL TECHNOLOGY VERIFICATION REPORT, HVLP COATING EQUIPMENT, SHARPE MANUFACTURING COMPANY PLATINUM 2012 HVLP SPRAY GUN

Science.gov (United States)

This report presents the results of the verification test of the Sharpe Platinum 2013 high-volume, low-pressure gravity-feed spray gun, hereafter referred to as the Sharpe Platinum, which is designed for use in automotive refinishing. The test coating chosen by Sharpe Manufacturi...

Beyond the atom

International Nuclear Information System (INIS)

Laurikainen, K.V.

1988-01-01

The Austrian physicist Wolfgang Pauli (1900-1958) is often called 'the conscience of physics'. He was famous for his sharp and critical mind which made him a central figure among the founders of quantum physics. To a lesser extent it is known that he also was an outstanding philosopher, especially interested in finding a new conception of reality and of causality. A careful study of the original sources of the past culminated in his study of Kepler and of medieval symbolism, a concept that played a central role in his discussion with C.G. Jung on the 'psychophysical problem'. Pauli considered in particular the sharp distinctions between knowledge and faith and between spirit and matter as dangerous. Rather they should complement each other in our comprehension of reality. The author tries for the first time to describe in detail Pauli's ideas. His book is based on the large and as yet unpublished correspondence between Pauli and M. Fierz. Its careful analysis adds depth and clarity to the few publications by Pauli on the above mentioned problems and explains why Pauli grasped the meaning of atomic theory more deeply than even N. Bohr himself. The book should be of interest both to philosophers and to physicists and should encourage further studies on the humanist W. Pauli and his contribution to our understanding of reality. But also the laymen pondering over the conception of reality in science will take advantage of this text. (orig.)

Computational analysis of RNA-protein interaction interfaces via the Voronoi diagram.

Science.gov (United States)

Mahdavi, Sedigheh; Mohades, Ali; Salehzadeh Yazdi, Ali; Jahandideh, Samad; Masoudi-Nejad, Ali

2012-01-21

Cellular functions are mediated by various biological processes including biomolecular interactions, such as protein-protein, DNA-protein and RNA-protein interactions in which RNA-Protein interactions are indispensable for many biological processes like cell development and viral replication. Unlike the protein-protein and protein-DNA interactions, accurate mechanisms and structures of the RNA-Protein complexes are not fully understood. A large amount of theoretical evidence have shown during the past several years that computational geometry is the first pace in understanding the binding profiles and plays a key role in the study of intricate biological structures, interactions and complexes. In this paper, RNA-Protein interaction interface surface is computed via the weighted Voronoi diagram of atoms. Using two filter operations provides a natural definition for interface atoms as classic methods. Unbounded parts of Voronoi facets that are far from the complex are trimmed using modified convex hull of atom centers. This algorithm is implemented to a database with different RNA-Protein complexes extracted from Protein Data Bank (PDB). Afterward, the features of interfaces have been computed and compared with classic method. The results show high correlation coefficients between interface size in the Voronoi model and the classical model based on solvent accessibility, as well as high accuracy and precision in comparison to classical model. Copyright © 2011 Elsevier Ltd. All rights reserved.

Sharp superconductor-insulator transition in short wires

International Nuclear Information System (INIS)

Meidan, Dganit; Oreg, Yuval; Refael, Gil; Smith, Robert A.

2008-01-01

Recent experiments on short MoGe nanowires show a sharp superconductor-insulator transition tuned by the normal state resistance of the wire, with a critical resistance of R c ∼ R Q = h/(4e 2 ). These results are at odds with a broad range of theoretical work on Josephson-like systems that predicts a smooth transition, tuned by the value of the resistance that shunts the junction. We develop a self-consistent renormalization group treatment of interacting phase-slips and their dual counterparts, correlated cooper pair tunneling, beyond the dilute approximation. This analysis leads to a very sharp transition with a critical resistance of R Q . The addition of the quasi-particles' resistance at finite temperature leads to a quantitative agreement with the experimental results. This self-consistent renormalization group method should also be applicable to other physical systems that can be mapped onto similar sine-Gordon models, in the previously inaccessible intermediate-coupling regime

Development at the wildland-urban interface and the mitigation of forest-fire risk.

Science.gov (United States)

Spyratos, Vassilis; Bourgeron, Patrick S; Ghil, Michael

2007-09-04

This work addresses the impacts of development at the wildland-urban interface on forest fires that spread to human habitats. Catastrophic fires in the western United States and elsewhere make these impacts a matter of urgency for decision makers, scientists, and the general public. Using a simple fire-spread model, along with housing and vegetation data, we show that fire size probability distributions can be strongly modified by the density and flammability of houses. We highlight a sharp transition zone in the parameter space of vegetation flammability and house density. Many actual fire landscapes in the United States appear to have spreading properties close to this transition. Thus, the density and flammability of buildings should be taken into account when assessing fire risk at the wildland-urban interface. Moreover, our results highlight ways for regulation at this interface to help mitigate fire risk.

Interfase y software de control para operar en sincronismo un automuestreador y un atomizador electrotérmico por filamento de tungsteno en espectrofotometría de absorción atómica Development of interface and software for synchronous operation of an autosampler and a tungsten coil electrothermal atomizer coupled to an atomic absorption spectophotometer

Directory of Open Access Journals (Sweden)

J. Neira

1998-07-01

Full Text Available The interface and software for synchronous control of an autosampler and an electrothermal tungsten coil atomizer in atomic absorption spectrophotometry were developed. The control of the power supply, the trigger of the Read function of the spectrophotometer and the automatic operation of the autosampler was performed by software written in "TurboBasic". The system was evaluated by comparison of the repeatability of peak-height absorbances obtained in the atomization of lead by consecutive 10-µl injections of solutions (prepared in 0.2% v/v HNO3 using autosampler and manual sample introduction, and also by long term operation.

SHARP - a framework for incorporating human interactions into PRA studies

International Nuclear Information System (INIS)

Hannaman, G.W.; Joksimovich, V.; Spurgin, A.J.; Worledge, D.H.

1985-01-01

Recently, increased attention has been given to understanding the role of humans in the safe operation of nuclear power plants. By virtue of the ability to combine equipment reliability with human reliability probabilistic risk assessment (PRA) technology was deemed capable of providing significant insights about the contributions of human interations in accident scenarios. EPRI recognized the need to strengthen the methodology for incorporating human interactions into PRAs as one element of their broad research program to improve the credibility of PRAs. This research project lead to the development and detailed description of SHARP (Systematic Human Application Reliability Procedure) in EPRI NP-3583. The objective of this paper is to illustrate the SHARP framework. This should help PRA analysts state more clearly their assumptions and approach no matter which human reliability assessment technique is used. SHARP includes a structure of seven analysis steps which can be formally or informally performed during PRAs. The seven steps are termed definition, screening, breakdown, representation, impact assessment, quantification, and documentation

Crystal Phase Quantum Well Emission with Digital Control.

Science.gov (United States)

Assali, S; Lähnemann, J; Vu, T T T; Jöns, K D; Gagliano, L; Verheijen, M A; Akopian, N; Bakkers, E P A M; Haverkort, J E M

2017-10-11

One of the major challenges in the growth of quantum well and quantum dot heterostructures is the realization of atomically sharp interfaces. Nanowires provide a new opportunity to engineer the band structure as they facilitate the controlled switching of the crystal structure between the zinc-blende (ZB) and wurtzite (WZ) phases. Such a crystal phase switching results in the formation of crystal phase quantum wells (CPQWs) and quantum dots (CPQDs). For GaP CPQWs, the inherent electric fields due to the discontinuity of the spontaneous polarization at the WZ/ZB junctions lead to the confinement of both types of charge carriers at the opposite interfaces of the WZ/ZB/WZ structure. This confinement leads to a novel type of transition across a ZB flat plate barrier. Here, we show digital tuning of the visible emission of WZ/ZB/WZ CPQWs in a GaP nanowire by changing the thickness of the ZB barrier. The energy spacing between the sharp emission lines is uniform and is defined by the addition of single ZB monolayers. The controlled growth of identical quantum wells with atomically flat interfaces at predefined positions featuring digitally tunable discrete emission energies may provide a new route to further advance entangled photons in solid state quantum systems.

Atomistic calculations of interface elastic properties in noncoherent metallic bilayers

International Nuclear Information System (INIS)

Mi Changwen; Jun, Sukky; Kouris, Demitris A.; Kim, Sung Youb

2008-01-01

The paper describes theoretical and computational studies associated with the interface elastic properties of noncoherent metallic bicrystals. Analytical forms of interface energy, interface stresses, and interface elastic constants are derived in terms of interatomic potential functions. Embedded-atom method potentials are then incorporated into the model to compute these excess thermodynamics variables, using energy minimization in a parallel computing environment. The proposed model is validated by calculating surface thermodynamic variables and comparing them with preexisting data. Next, the interface elastic properties of several fcc-fcc bicrystals are computed. The excess energies and stresses of interfaces are smaller than those on free surfaces of the same crystal orientations. In addition, no negative values of interface stresses are observed. Current results can be applied to various heterogeneous materials where interfaces assume a prominent role in the systems' mechanical behavior

International bulletin on atomic and molecular data for fusion. No. 47

International Nuclear Information System (INIS)

Botero, J.

1993-12-01

This bulletin, published by the IAEA, provides atomic and molecular data references relevant to fusion research and technology. In part I the indexation of the papers is provided separately for (i) structure and spectra, (ii) atomic and molecular collisions, and (iii) surface interactions. Part II contains the bibliographic data for the above-listed topics and for high-energy laser and beam-matter interaction of atomic particles with fields. Also included are sections on atomic and molecular data needs for fusion research and on news about ALADDIN (A Labelled Atomic Data INterface) and evaluated data bases

First-principles modeling of magnetic misfit interfaces

KAUST Repository

Grytsiuk, Sergii

2013-08-16

We investigate the structural and magnetic properties of interfaces with large lattice mismatch, choosing Pt/Co and Au/Co as prototypes. For our first-principles calculations, we reduce the lattice mismatch to 0.2% by constructing Moiré supercells. Our results show that the roughness and atomic density, and thus the magnetic properties, depend strongly on the substrate and thickness of the Co slab. An increasing thickness leads to the formation of a Co transition layer at the interface, especially for Pt/Co due to strong Pt-Co interaction. A Moiré supercell with a transition layer is found to reproduce the main experimental findings and thus turns out to be the appropriate model for simulating magnetic misfit interfaces.

First-principles modeling of magnetic misfit interfaces

KAUST Repository

Grytsyuk, Sergiy; Schwingenschlö gl, Udo

2013-01-01

We investigate the structural and magnetic properties of interfaces with large lattice mismatch, choosing Pt/Co and Au/Co as prototypes. For our first-principles calculations, we reduce the lattice mismatch to 0.2% by constructing Moiré supercells. Our results show that the roughness and atomic density, and thus the magnetic properties, depend strongly on the substrate and thickness of the Co slab. An increasing thickness leads to the formation of a Co transition layer at the interface, especially for Pt/Co due to strong Pt-Co interaction. A Moiré supercell with a transition layer is found to reproduce the main experimental findings and thus turns out to be the appropriate model for simulating magnetic misfit interfaces.

Understanding sharps injuries in home healthcare: The Safe Home Care qualitative methods study to identify pathways for injury prevention.

Science.gov (United States)

Markkanen, Pia; Galligan, Catherine; Laramie, Angela; Fisher, June; Sama, Susan; Quinn, Margaret

2015-04-11

Home healthcare is one of the fastest growing sectors in the United States. Percutaneous injuries from sharp medical devices (sharps) are a source of bloodborne pathogen infections among home healthcare workers and community members. Sharps use and disposal practices in the home are highly variable and there is no comprehensive analysis of the system of sharps procurement, use and disposal in home healthcare. This gap is a barrier to effective public health interventions. The objectives of this study were to i) identify the full range of pathways by which sharps enter and exit the home, stakeholders involved, and barriers for using sharps with injury prevention features; and ii) assess the leverage points for preventive interventions. This study employed qualitative research methods to develop two systems maps of the use of sharps and prevention of sharps injuries in home healthcare. Twenty-six in-depth interview sessions were conducted including home healthcare agency clinicians, public health practitioners, sharps device manufacturers, injury prevention advocates, pharmacists and others. Interview transcripts were audio-recorded and analyzed thematically using NVIVO qualitative research analysis software. Analysis of supporting archival material also was conducted. All findings guided development of the two maps. Sharps enter the home via multiple complex pathways involving home healthcare providers and home users. The providers reported using sharps with injury prevention features. However, home users' sharps seldom had injury prevention features and sharps were commonly re-used for convenience and cost-savings. Improperly discarded sharps present hazards to caregivers, waste handlers, and community members. The most effective intervention potential exists at the beginning of the sharps systems maps where interventions can eliminate or minimize sharps injuries, in particular with needleless treatment methods and sharps with injury prevention features

Atomic-scale structures of interfaces between phyllosilicate edges and water

NARCIS (Netherlands)

Liu, X.; Lu, X.; Meijer, E.J.; Wang, R.; Zhou, H.

2012-01-01

We report first-principles molecular dynamics (FPMD) studies on the structures of interfaces between phyllosilicate edges and water. Using FPMD, the substrates and solvents are simulated at the same first-principles level, and the thermal motions are sampled via molecular dynamics. Both the neutral

A simulation study of interface mixing during ion-assisted deposition

International Nuclear Information System (INIS)

Wenzhi Li; Fuzhai Cui; Yi Liao; Hengde Li

1990-01-01

Ion-beam assisted deposition (IAD) can produce strong film to substrate adhesion. The adhesion depends heavily on atom mixing near the interface. In order to study the dependence of the width of the mixed interface on the experimental parameters, a Monte Carlo study has been made using the dynamic simulation code TCIS-6. The simulation mode and calculational procedure are described. Simulation calculations indicate that the mixing increases with the bombarding energies and a saturation width appears at high energies. There is a strong relationship between the amount of mixing and the ion-to-atom arrival ratio. Some comparisons of the calculations with experimental data in the literature are also presented. (author)

An immersed interface vortex particle-mesh solver

Science.gov (United States)

Marichal, Yves; Chatelain, Philippe; Winckelmans, Gregoire

2014-11-01

An immersed interface-enabled vortex particle-mesh (VPM) solver is presented for the simulation of 2-D incompressible viscous flows, in the framework of external aerodynamics. Considering the simulation of free vortical flows, such as wakes and jets, vortex particle-mesh methods already provide a valuable alternative to standard CFD methods, thanks to the interesting numerical properties arising from its Lagrangian nature. Yet, accounting for solid bodies remains challenging, despite the extensive research efforts that have been made for several decades. The present immersed interface approach aims at improving the consistency and the accuracy of one very common technique (based on Lighthill's model) for the enforcement of the no-slip condition at the wall in vortex methods. Targeting a sharp treatment of the wall calls for substantial modifications at all computational levels of the VPM solver. More specifically, the solution of the underlying Poisson equation, the computation of the diffusion term and the particle-mesh interpolation are adapted accordingly and the spatial accuracy is assessed. The immersed interface VPM solver is subsequently validated on the simulation of some challenging impulsively started flows, such as the flow past a cylinder and that past an airfoil. Research Fellow (PhD student) of the F.R.S.-FNRS of Belgium.

Microscopic theory of the liquid-solid interface of 4He

International Nuclear Information System (INIS)

Pederiva, F.; Fantoni, S.; Reatto, L.

1995-01-01

Based on the shadow wave function we have developed the first microscopic theory of the interface between a quantum liquid and solid. We overcome the difficulties present in other variational theories because no a priori equilibrium positions for the atoms have to be assumed and localization of particles is exclusively due to interparticle correlations. We find that the crystalline order parameters vary smoothly over the interface and the interface itself is mobile. We have extended the previous work to the interface of a fcc crystal of 4 He. The interfacial energy is 0.16 K/angstrom 2 , the width of the interface is about 15 angstrom and the local density has a dip on the liquid side

Empirical atom model of Vegard's law

Energy Technology Data Exchange (ETDEWEB)

Zhang, Lei, E-mail: zhleile2002@163.com [Materials Department, College of Electromechanical Engineering, China University of Petroleum, Qingdao 266555 (China); School of Electromechanical Automobile Engineering, Yantai University, Yantai 264005 (China); Li, Shichun [Materials Department, College of Electromechanical Engineering, China University of Petroleum, Qingdao 266555 (China)

2014-02-01

Vegard's law seldom holds true for most binary continuous solid solutions. When two components form a solid solution, the atom radii of component elements will change to satisfy the continuity requirement of electron density at the interface between component atom A and atom B so that the atom with larger electron density will expand and the atom with the smaller one will contract. If the expansion and contraction of the atomic radii of A and B respectively are equal in magnitude, Vegard's law will hold true. However, the expansion and contraction of two component atoms are not equal in most situations. The magnitude of the variation will depend on the cohesive energy of corresponding element crystals. An empirical atom model of Vegard's law has been proposed to account for signs of deviations according to the electron density at Wigner–Seitz cell from Thomas–Fermi–Dirac–Cheng model.

A first principles study of adhesion and electronic structure at Fe (110)/graphite (0001) interface

Energy Technology Data Exchange (ETDEWEB)

Liu, Yangzhen; Xing, Jiandong; Li, Yefei, E-mail: yefeili@126.com; Sun, Liang; Wang, Yong

2017-05-31

Highlights: • The surface energy of graphite (0001) and Fe (110) has been calculated and the number of layers of graphite slab and Fe slab has been estimated. • The work of adhesion of Fe (110)/graphite (0001) interface with different interfacial separation d{sub 0} (1.7–3 Å) has been systematically discussed. • The total electron density and electron density difference of Fe (110)/graphite (0001) are used to study the bonding characteristics. • The Interfacial energy and fracture toughness of Fe (110)/graphite (0001) are estimated. - Abstract: Using first–principles calculations, we discuss the bulk properties of bcc Fe and graphite and that of the surface, the work of adhesion, and the electronic structure of Fe (110)/graphite (0001) interface. In this study, the experimental results of the bulk properties of bcc Fe and graphite reveal that our adopted parameters are reliable. Moreover, the results of surface energy demonstrate that nine atomic layers of graphite (0001) and five atomic layers of Fe (110) exhibit bulk–like interiors. The lattice mismatch of Fe (110)/graphite (0001) interface is about 6%. The results also exhibit that the Fe atom residing on top of the second layer of graphite slab (HCP structure) is the preferred stacking sequence. The work of adhesion (W{sub ad}) of the optimized Fe/graphite interface of HCP structure is 1.36 J/m{sup 2}. Electronic structures indicate that the bonding characteristics are a mixture of covalent and ionic bonds in the HCP interface. Moreover, the magnetic moment of atoms at the interface was studied using the spin polarized density of states.

Multiphase Interface Tracking with Fast Semi-Lagrangian Contouring.

Science.gov (United States)

Li, Xiaosheng; He, Xiaowei; Liu, Xuehui; Zhang, Jian J; Liu, Baoquan; Wu, Enhua

2016-08-01

We propose a semi-Lagrangian method for multiphase interface tracking. In contrast to previous methods, our method maintains an explicit polygonal mesh, which is reconstructed from an unsigned distance function and an indicator function, to track the interface of arbitrary number of phases. The surface mesh is reconstructed at each step using an efficient multiphase polygonization procedure with precomputed stencils while the distance and indicator function are updated with an accurate semi-Lagrangian path tracing from the meshes of the last step. Furthermore, we provide an adaptive data structure, multiphase distance tree, to accelerate the updating of both the distance function and the indicator function. In addition, the adaptive structure also enables us to contour the distance tree accurately with simple bisection techniques. The major advantage of our method is that it can easily handle topological changes without ambiguities and preserve both the sharp features and the volume well. We will evaluate its efficiency, accuracy and robustness in the results part with several examples.

Sharps injury reduction: a six-year, three-phase study comparing use of a small patient-room sharps disposal container with a larger engineered container.

Science.gov (United States)

Grimmond, T; Naisoro, W

2014-09-01

A 350-bed Sydney hospital noted excessive container-associated sharps injuries (CASI) using small sharps containers and compared the effect from 2004 to 2010 of using a larger container engineered to reduce CASI. In Phase 1 (Ph1), disposable 1.4L containers (BD Australia) were carried to/from patients' rooms. In Phase 2 (Ph2), this stopped and a safety-engineered 32L reusable container (the Device; Sharpsmart, SteriHealth) was mounted in medication stations only and sharps were carried to and from patient rooms using kidney dishes. In Phase 3 (Ph3), the Device was wall-mounted in patient rooms. Sharps injuries were categorised as 'during-procedure', 'after-procedure but before disposal', 'CASI', and 'improper disposal SI'. Disposal-related SI comprised CASI plus improper-disposal SI. Injuries per 100 full-time-equivalent staff were analysed using Chi 2 ; p ≤ 0.05; and relative risk and 95% confidence limits were calculated. In Ph1 (small containers) 19.4% of SI were CASI and transport injuries were zero. In Ph2 (Device in medication station) CASI fell 94.9% ( p <0.001); Disposal-related SI fell 71.1% ( p =0.002) but transport injuries rose significantly. In Ph3 (Device in patient room) zero CASI occurred ( p <0.001); Disposal-related SI fell 83.1% ( p =0.001). Recapping SI fell 85.1% ( p =0.01) with the Device. The Device's volume, large aperture, passive overfill-protection and close-at-hand siting are postulated as SI reduction factors.

Notes on breeding sharp-shinned hawks and Cooper’s hawks in Barnwell County, South Carolina.

Energy Technology Data Exchange (ETDEWEB)

Vukovich, Mark; Kilgo, John, C.

2009-07-01

Abstract - Breeding records of Accipiter striatus (Sharp-shinned Hawks) in the southeastern US are scattered and isolated. We documented a Sharp-shinned Hawk and Accipiter cooperii (Cooper’s Hawk) nest while conducting a telemetry study on Melanerpes erythrocephalus (Red-headed Woodpeckers) in Barnwell County, SC in 2006 and 2007. We report the first known nest of a Sharp-shinned Hawk in Barnwell County, SC and the first report of Sharp-shinned Hawks preying upon Red-headed Woodpeckers. Thirteen of 93 (13.9 %) woodpeckers were killed by accipiters in the summers of 2006 and 2007. Large, contiguous forests managed for Picoides borealis (Red-cockaded Woodpeckers) may be used by breeding Sharp-shinned Hawks. The bright plumage, loud calls, and behavior of Red-headed Woodpeckers, particularly during the nestling stage, may make them conspicuous prey for accipiters.

Comparison of lead zirconate titanate thin films on ruthenium oxide and platinum electrodes

International Nuclear Information System (INIS)

Bursill, L.A.; Reaney, I.M.

1994-01-01

High-resolution and bright- and dark-field transmission electron microscopy are used to characterize and compare the interface structures and microstructure of PZT/RuO 2 /SiO 2 /Si and PZT/Pt/Ti/SiO 2 /Si ferroelectric thin films, with a view to understanding the improved fatigue characteristics of PZT thin films with RuO 2 electrodes. The RuO 2 /PZT interface consists of a curved pseudoperiodic minimal surface. The interface is chemically sharp with virtually no intermixing of RuO 2 and PZT, as evidenced by the atomic resolution images as well as energy dispersive X-ray analysis. A nanocrystalline pyrochlore phase Pb 2 ZrTiO 7-x (x ≠ 1) was found on the top surface of the PZT layer. The PZT/Pt/Ti/SiO 2 /Si thin film was well-crystallized and showed sharp interfaces throughout. Possible reasons for the improved fatigue characteristics of PZT/RuO 2 /SiO 2 /Si thin films are discussed. 13 refs; 7 figs

Comparison of lead zirconate titanate thin films on ruthenium oxide and platinum electrodes

Energy Technology Data Exchange (ETDEWEB)

Bursill, L A; Reaney, I M

1994-12-31

High-resolution and bright- and dark-field transmission electron microscopy are used to characterize and compare the interface structures and microstructure of PZT/RuO{sub 2}/SiO{sub 2}/Si and PZT/Pt/Ti/SiO{sub 2}/Si ferroelectric thin films, with a view to understanding the improved fatigue characteristics of PZT thin films with RuO{sub 2} electrodes. The RuO{sub 2}/PZT interface consists of a curved pseudoperiodic minimal surface. The interface is chemically sharp with virtually no intermixing of RuO{sub 2} and PZT, as evidenced by the atomic resolution images as well as energy dispersive X-ray analysis. A nanocrystalline pyrochlore phase Pb{sub 2}ZrTiO{sub 7-x} (x {ne} 1) was found on the top surface of the PZT layer. The PZT/Pt/Ti/SiO{sub 2}/Si thin film was well-crystallized and showed sharp interfaces throughout. Possible reasons for the improved fatigue characteristics of PZT/RuO{sub 2}/SiO{sub 2}/Si thin films are discussed. 13 refs; 7 figs.

Inference for the Sharpe Ratio Using a Likelihood-Based Approach

Directory of Open Access Journals (Sweden)

Ying Liu

2012-01-01

Full Text Available The Sharpe ratio is the prominent risk-adjusted performance measure used by practitioners. Statistical testing of this ratio using its asymptotic distribution has lagged behind its use. In this paper, highly accurate likelihood analysis is applied for inference on the Sharpe ratio. Both the one- and two-sample problems are considered. The methodology has O(n−3/2 distributional accuracy and can be implemented using any parametric return distribution structure. Simulations are provided to demonstrate the method's superior accuracy over existing methods used for testing in the literature.

Silicon/HfO2 interface: Effects of proton irradiation

International Nuclear Information System (INIS)

Maurya, Savita; Radhakrishna, M.

2015-01-01

Substrate oxide interfaces are of paramount importance in deciding the quality of the semiconductor devices. In this work we have studied how 200 keV proton irradiation affects the interface of a 13 nm thick, atomic layer deposited hafnium dioxide on silicon substrate. Pre- and post-irradiation electrical measurements are used to quantify the effect of proton irradiation for varying electrode geometries. Proton irradiation introduces positive charge in the oxide and at the interface of Si/HfO 2 interface. The gate current is not very much affected under positive injection since the induced positive charge is compensated by the injected electrons. Current voltage characteristics under negative bias get affected by the proton irradiation

Irradiation-induced precipitation in a SUS316 stainless steel using three-dimensional atom probe

International Nuclear Information System (INIS)

Hatakeyama, M.; Yamagata, I.

2013-01-01

Precipitation and segregation were investigated in a compositionally modified 316 austenitic stainless steel, neutron-irradiated at 862 K using a three-dimensional atom probe. In the solution-annealed specimen, Mo, Ti, Nb, C and P enrichment were observed in a silicide, with nominal composition Fe 3 Cr 2 Ni 2 Mo 2 Si 2 . In a Ti-rich carbide, nominaling Fe 5 Cr 8 Ni 10 Mo 2 Ti 11 Si 2 C 6 , enrichment of Mo, Si, O, and Nb was observed. Radiation-induced segregation (RIS) at the precipitate–matrix interface was also investigated at an atomic scale. RIS of Ni and P atoms, which are undersized in Fe, was also analyzed around the interface of the Ti-rich carbide and matrix. Results suggest that the carbide–matrix interface is a sink with an interstitial bias. In the cold-worked specimen, complex-precipitates consisting of silicide and carbide were formed

Induced magnetism at the interfaces of a Fe/V superlattice investigated by resonant magnetic x-ray scattering

Energy Technology Data Exchange (ETDEWEB)

Magnuson, Martin, E-mail: Martin.Magnuson@ifm.liu.se

2017-01-15

The induced magnetic moments in the V 3d electronic states of interface atomic layers in a Fe(6ML)/V(7ML) superlattice was investigated by x-ray resonant magnetic scattering. The first V atomic layer next to Fe was found to be strongly antiferromagnetically polarized relatively to Fe and the magnetic moments of the next few atomic layers in the interior V region decay exponentially with increasing distance from the interface, while the magnetic moments of the Fe atomic layers largely remain bulk-like. The induced V moments decay more rapidly as observed by x-ray magnetic scattering than in standard x-ray magnetic circular dichroism. The theoretical description of the induced magnetic atomic layer profile in V was found to strongly rely on the interface roughness within the superlattice period. These results provide new insight into interface magnetism by taking advantage of the enhanced depth sensitivity to the magnetic profile over a certain resonant energy bandwidth in the vicinity of the Bragg angles. - Highlights: • Magnetic moments of buried layers are probed by XRMS in a Fe/V superlattice. • The induced V magnetic moments in XRMS are more rapidly decaying than previously observed by XMCD. • The magnetic depth profile sensitivity is enhanced at an energy bandwidth in the vicinity of the Bragg angles.

Interface Energy Alignment of Atomic-Layer-Deposited VOx on Pentacene: an in Situ Photoelectron Spectroscopy Investigation.

Science.gov (United States)

Zhao, Ran; Gao, Yuanhong; Guo, Zheng; Su, Yantao; Wang, Xinwei

2017-01-18

Ultrathin atomic-layer-deposited (ALD) vanadium oxide (VO x ) interlayer has recently been demonstrated for remarkably reducing the contact resistance in organic electronic devices (Adv. Funct. Mater. 2016, 26, 4456). Herein, we present an in situ photoelectron spectroscopy investigation (including X-ray and ultraviolet photoelectron spectroscopies) of ALD VO x grown on pentacene to understand the role of the ALD VO x interlayer for the improved contact resistance. The in situ photoelectron spectroscopy characterizations allow us to monitor the ALD growth process of VO x and trace the evolutions of the work function, pentacene HOMO level, and VO x defect states during the growth. The initial VO x growth is found to be partially delayed on pentacene in the first ∼20 ALD cycles. The underneath pentacene layer is largely intact after ALD. The ALD VO x is found to contain a high density of defect states starting from 0.67 eV below the Fermi level, and the energy level of these defect states is in excellent alignment with the HOMO level of pentacene, which therefore allows these VO x defect states to provide an efficient hole-injection pathway at the contact interface.

Energy dissipation characteristics of sharp-edged orifice plate

Directory of Open Access Journals (Sweden)

Ai Wanzheng

2015-08-01

Full Text Available The energy loss coefficient, relating directly to the energy dissipation ratio, is an important index of this energy dissipater. In this article, this coefficient and its affecting parameters were analyzed by theoretical considerations, and their relationships were obtained by numerical simulations. It could be concluded that the energy loss coefficient of sharp-edged orifice plate and its backflow region length were mainly dominated by the contraction ratio of the orifice plate. Sharp-edged orifice plate’s energy loss coefficient and its backflow region length all increase slightly with the increase in its thickness. When Reynolds number is in the range of 9.00×104–10.3×106, Reynolds number has little impacts on energy loss coefficient and backflow region length. Two empirical expressions, relating to backflow region length and energy loss coefficient, respectively, were presented.

Cryogenic receiver front-end with sharp skirt characteristics

Energy Technology Data Exchange (ETDEWEB)

Narahashi, S [RF Technology Laboratory, Wireless Laboratories, NTT DoCoMo, Inc, Yokosuka, Kanagawa 239-8536 (Japan); Satoh, K [RF Technology Laboratory, Wireless Laboratories, NTT DoCoMo, Inc, Yokosuka, Kanagawa 239-8536 (Japan); Kawai, K [RF Technology Laboratory, Wireless Laboratories, NTT DoCoMo, Inc, Yokosuka, Kanagawa 239-8536 (Japan); Koizumi, D [RF Technology Laboratory, Wireless Laboratories, NTT DoCoMo, Inc, Yokosuka, Kanagawa 239-8536 (Japan); Nojima, T [Graduate School of Information Science and Technology, Hokkaido University, Sapporo, Hokkaido 060-0808 (Japan)

2006-05-15

This paper presents an experimental cryogenic receiver front-end (CRFE) with sharp skirt characteristics for mobile base stations. The CRFE comprises a high-temperature superconducting filter, a cryogenic low-noise amplifier, and a highly reliable cryostat that is very compact. The major characteristics of the proposed CRFE measured at 70 K are a centre frequency of 1.95 GHz, passband width of 20 MHz, sharp selectivity of 20 dB/100 kHz, 1.4 dB ripple, 31.3 dB average passband gain, and average passband equivalent noise temperature of 47.9 K. The CRFE weighs 19 kg and occupies 35 l. Random failure of the cryostat is also evaluated by a continuous operation test using four identical ones simultaneously. The cryostat used in the CRFE has a high reliability level of over five years of continuous maintenance-free operation.

Sharp bounds for periodic solutions of Lipschitzian differential equations

International Nuclear Information System (INIS)

Zevin, A A

2009-01-01

A general system of Lipschitzian differential equations, containing simultaneously terms without delay and with arbitrary constant and time-varying delays, is considered. For the autonomous case, a lower bound for the period of nonconstant periodic solutions, expressed in the respective supremum Lipschitz constants, is found. For nonautonomous periodic equations, explicit upper bounds for the amplitudes and maximum derivatives of periodic solutions are obtained. For all n ≥ 2, the bounds do not depend on n and, in general, are different from that for n = 1. All the bounds are sharp; they are attained in linear differential equations with piece-wise constant deviating arguments. A relation between the obtained bounds and the sharp bounds in other metrics is established

Molecular dynamics simulation of damage cascade creation in SiC composites containing SiC/graphite interface

Energy Technology Data Exchange (ETDEWEB)

Wallace, Joseph; Chen, Di; Wang, Jing; Shao, Lin, E-mail: lshao@tamu.edu

2013-07-15

Silicon carbide composites have been investigated for their use as structural materials for advanced nuclear reactor designs. Although the composites have significantly enhanced mechanical properties and structure integrity, there is little known about the behavior of defects in the presence of a graphite-silicon carbide interface. In this study, molecular dynamics simulations have been used to model defect creation and clustering in a composite containing a SiC/graphite interface. Evolution of displacements as a function of time were studied and compared to bulk SiC. The results show that the first a few SiC atomic layers closest to the interface are easily damaged. However, beyond these first few atomic layers the system appears to be unaffected by the SiC interface.

Confined-interface-directed synthesis of Palladium single-atom catalysts on graphene/amorphous carbon

DEFF Research Database (Denmark)

Xi, Jiangbo; Sun, Hongyu; Zhang, Zheye

2018-01-01

The maximized atomic efficiency of supported catalysts is highly desired in heterogeneous catalysis. Therefore, the design and development of active, stable, and atomic metal-based catalysts remains a formidable challenge. To tackle these problems, it is necessary to investigate the interaction b...

Interface doping of conjugated organic films by means of diffusion of atomic components from the surfaces of semiconductors and of metal oxides.

Science.gov (United States)

Komolov, A S; Akhremtchik, S N; Lazneva, E F

2011-08-15

The paper reports the results on the interface formation of 5-10 nm thick conjugated layers of Cu-phthalocyanine (CuPc) with a number of solid surfaces: polycrystalline Au, (SiO(2))n-Si, ZnO(0 0 0 1), Si(1 0 0), Ge(1 1 1), CdS(0 0 0 1) and GaAs(1 0 0). The results were obtained using Auger electron spectroscopy (AES) and low-energy target current electron spectroscopy (TCS). The organic overlayers were thermally deposited in situ in UHV onto substrate surfaces. The island-like organic deposits were excluded from the analysis so that only uniform organic deposits were considered. In the cases of polycrystalline Au, Si(1 0 0) and Ge(1 1 1) substrates the AES peaks of the substrate material attenuated down to the zero noise level upon the increase of the CuPc film thickness of 8-10 nm. The peaks corresponding to oxygen atoms in the case of SiO(2) substrate, and to atoms from the ZnO, GaAs and CdS substrates were clearly registered in the AES spectra of the 8-10 nm thick CuPc deposits. The relative concentration of the substrate atomic components diffused into the film was different from their relative concentration at the pure substrate surface. The concentration of the substrate dopant atoms in the CuPc film was estimated as one atom per one CuPc molecule. Using the target current electron spectroscopy, it was shown that the substrate atoms admixed in the CuPc film account for the appearance of a new peak in the density of unoccupied electronic states. Formation of intermediate TCS spectra until the CuPc deposit reaches 2-3 nm was observed in the cases of GaAs(1 0 0), ZnO(0 0 0 1), Ge(1 1 1) surfaces. The intermediate spectra show a less pronounced peak structure different from the one typical for the CuPc films. It was suggested that the intermediate layer was formed by the CuPc molecules fully or partially decomposed due to the interaction with the relatively reactive semiconductor surfaces. Copyright © 2010 Elsevier B.V. All rights reserved.

Characterization of semiconductor surfaces and interfaces by high energy ion scattering

International Nuclear Information System (INIS)

Narusawa, Tadashi; Kobayashi, K.L.I.; Nakashima, Hisao

1984-01-01

The use of surface peak, which appears in MeV ion channeling experiments, is demonstrated as a local probe for direct and quantitative measurements of atomic displacements smaller than --0.1A. The atomic structures of GaAs(001)-c(4x4) clean surface and hydrogen-absorbed (1x1) surface are analyzed by this technique as well as the interface atomic structures of GaAs(001)-SiOsub(x) and Si(111)-Pd systems. (author)

Relationship between sharps disposal containers and Clostridium difficile infections in acute care hospitals.

Science.gov (United States)

Pogorzelska-Maziarz, Monika

2015-10-01

Sharps disposal containers are ubiquitous in health care facilities; however, there is paucity of data on their potential role in pathogen transmission. This study assessed the relationship between use of single-use versus reusable sharps containers and rates of Clostridium difficile infections in a national sample of hospitals. A 2013 survey of 1,990 hospitals collected data on the use of sharps containers. Responses were linked to the 2012 Medicare Provider Analysis and Review dataset. Bivariate and multivariable negative binomial regression were conducted to examine differences in C difficile rates between hospitals using single-use versus reusable containers. There were 604 hospitals who completed the survey; of these, 539 provided data on use of sharps containers in 2012 (27% response rate). Hospitals had, on average, 289 beds (SD ± 203) and were predominantly non-for-profit (67%) and nonteaching (63%). Most used reusable sharps containers (72%). In bivariate regression, hospitals using single-use containers had significantly lower rates of C difficile versus hospitals using reusable containers (incidence rate ratio [IRR] = 0.846, P = .001). This relationship persisted in multivariable regression (IRR = 0.870, P = .003) after controlling for other hospital characteristics. This is the first study to show a link between use of single-use sharps containers and lower C difficile rates. Future research should investigate the potential for environmental contamination of reusable containers and the role they may play in pathogen transmission. Copyright © 2015 Association for Professionals in Infection Control and Epidemiology, Inc. Published by Elsevier Inc. All rights reserved.

Focusing optical waves with a rotationally symmetric sharp-edge aperture

Science.gov (United States)

Hu, Yanwen; Fu, Shenhe; Li, Zhen; Yin, Hao; Zhou, Jianying; Chen, Zhenqiang

2018-04-01

While there has been various kinds of patterned structures proposed for wave focusing, these patterned structures usually involve complicated lithographic techniques since the element size of the patterned structures should be precisely controlled in microscale or even nanoscale. Here we propose a new and straightforward method for focusing an optical plane wave in free space with a rotationally symmetric sharp-edge aperture. The focusing phenomenon of wave is realized by superposition of a portion of the higher-order symmetric plane waves generated from the sharp edges of the apertures, in contrast to previously focusing techniques which usually depend on a curved phase. We demonstrate both experimentally and theoretically the focusing effect with a series of apertures having different rotational symmetry, and find that the intensity of the hotspots could be controlled by the symmetric strength of the sharp-edge apertures. The presented results would advance the conventional wisdom that light would diffract in all directions and become expanding when it propagates through an aperture. The proposed method is easy to be processed, and might open potential applications in interferometry, image, and superresolution.

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

International Nuclear Information System (INIS)

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

2009-01-01

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.

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

Science.gov (United States)

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.

Sharp Injuries Among Hospital Waste Handlers | Olaitan | Nigerian ...

African Journals Online (AJOL)

, C as well as other before commencing on their jobs. Workers should be screened for infective diseases that can be of legal problem while at the job and the workers should be effectively immunized. Key words: sharp injuries, waste, handlers, ...

Notes on breeding sharp-shinned hawks and cooper’s hawks in Barnwell County, South Carolina

Science.gov (United States)

Mark Vukovich; John C. Kilgo

2009-01-01

Breeding records of Accipiter striatus (Sharp-shinned Hawks) in the southeastern US are scattered and isolated. We documented a Sharp-shinned Hawk and Accipiter cooperii (Cooper’s Hawk) nest while conducting a telemetry study on Melanerpes erythrocephalus (Red-headed Woodpeckers) in Barnwell County, SC in 2006 and 2007. We report the first known nest of a Sharp-shinned...

Ab Initio Study of the Atomic Level Structure of the Rutile TiO2(110)-Titanium Nitride (TiN) Interface.

Science.gov (United States)

Gutiérrez Moreno, José Julio; Nolan, Michael

2017-11-01

Titanium nitride (TiN) is widely used in industry as a protective coating due to its hardness and resistance to corrosion and can spontaneously form a thin oxide layer when it is exposed to air, which could modify the properties of the coating. With limited understanding of the TiO 2 -TiN interfacial system at present, this work aims to describe the structural and electronic properties of oxidized TiN based on a density functional theory (DFT) study of the rutile TiO 2 (110)-TiN(100) interface model system, also including Hubbard +U correction on Ti 3d states. The small lattice mismatch gives a good stability to the TiO 2 -TiN interface after depositing the oxide onto TiN through the formation of interfacial Ti-O bonds. Our DFT+U study shows the presence of Ti 3+ cations in the TiO 2 region, which are preferentially located next to the interface region as well as the rotation of the rutile TiO 2 octahedra in the interface structure. The DFT+U TiO 2 electronic density of states (EDOS) shows localized Ti 3+ defect states forming in the midgap between the top edge of the valence and the bottom of the conduction band. We increase the complexity of our models by the introduction of nonstoichiometric compositions. Although the vacancy formation energies for Ti in TiN (E vac (Ti) ≥ 4.03 eV) or O in the oxide (E vac (O) ≥ 3.40 eV) are quite high relative to perfect TiO 2 -TiN, defects are known to form during the oxide growth and can therefore be present after TiO 2 formation. Our results show that a structure with exchanged O and N can lie 0.82 eV higher in energy than the perfect system, suggesting the stability of structures with interdiffused O and N anions at ambient conditions. The presence of N in TiO 2 introduces N 2p states localized between the top edge of the O 2p valence states and the midgap Ti 3+ 3d states, thus reducing the band gap in the TiO 2 region for the exchanged O/N interface EDOS. The outcomes of these simulations give us a most comprehensive

Effect of the lower and upper interfaces on the quality of InAs/GaAs quantum dots

International Nuclear Information System (INIS)

Hospodková, Alice; Pangrác, Jiří; Zíková, Markéta; Oswald, Jiří; Vyskočil, Jan; Komninou, Philomela; Kioseoglou, Joseph; Florini, Nikoleta; Hulicius, Eduard

2014-01-01

Highlights: • The QD size distribution was improved by lowering the buffer layer growth rate. • The abrupt In concentration gradient was achieved on the InAs/GaAsSb interface. • Enhanced surfacting of In atoms was observed in situ for GaAsSb capping. • The optimal GaAsSb composition profile is suggested to prevent InAs QD dissolution. • Results are important for preparation of multiple QD structures (laser, solar cell). - Abstract: The aim of this work is to influence quantum dot (QD) formation by improving the lower and upper InAs/GaAs QD interface quality. QD properties were studied by reflectance anisotropy spectroscopy, atomic force microscopy and high resolution transmission electron microscopy. All structures were prepared by low pressure metal organic vapor phase epitaxy. Concerning the lower interface, a good epitaxial surface planarity is required for QD formation with high QD density and narrow size distribution. Therefore the growth conditions of the QD buffer layer are very important. We demonstrate the improvement of the QD size distribution and homogeneity, when the growth rate of the buffer layer was decreased. The upper QD interface is formed during the covering process. InAs quantum dots were capped by GaAs or by GaAsSb. The presence of Sb atoms in covering layer strongly influences the interface abruptness. In the case of GaAs covering layer, an InGaAs layer with gradual decrease of In concentration is unintentionally formed at the interface between InAs and GaAs. The presence of Sb in GaAsSb covering layer helps to form abrupt interface between InAs and covering layer. However, enhanced surfacting of In atoms was observed for GaAsSb SRL. An optimal GaAsSb composition profile is suggested to prevent dissolution of QDs during the covering process and to minimize the amount of surfacting In atoms

Monocrystalline zinc oxide films grown by atomic layer deposition

International Nuclear Information System (INIS)

Wachnicki, L.; Krajewski, T.; Luka, G.; Witkowski, B.; Kowalski, B.; Kopalko, K.; Domagala, J.Z.; Guziewicz, M.; Godlewski, M.; Guziewicz, E.

2010-01-01

In the present work we report on the monocrystalline growth of (00.1) ZnO films on GaN template by the Atomic Layer Deposition technique. The ZnO films were obtained at temperature of 300 o C using dietylzinc (DEZn) as a zinc precursor and deionized water as an oxygen precursor. High resolution X-ray diffraction analysis proves that ZnO layers are monocrystalline with rocking curve FWHM of the 00.2 peak equals to 0.07 o . Low temperature photoluminescence shows a sharp and bright excitonic line with FWHM of 13 meV.

Investigations of the polymer/magnetic interface of organic spin-valves

Energy Technology Data Exchange (ETDEWEB)

Morley, N.A., E-mail: n.a.morley@sheffield.ac.uk [Department of Materials Science and Engineering, University of Sheffield, Mappin Street, Sheffield S1 3JD (United Kingdom); Dost, R.; Lingam, A.S.V. [Department of Materials Science and Engineering, University of Sheffield, Mappin Street, Sheffield S1 3JD (United Kingdom); Barlow, A.J. [National EPSRC XPS Users’ Service, School of Mechanical and Systems Engineering, Newcastle University, Newcastle upon Tyne NE1 7RU (United Kingdom)

2015-12-30

Graphical abstract: - Highlights: • Metal carbide and sulphide species are detected at a polymer–magnetic interface. • Top magnetic electrodes on P3HT have uniaxial anisotropy. • Top magnetic electrodes on PBTTT are isotropic. - Abstract: This work investigates the top interface of an organic spin-valve, to determine the interactions between the polymer and top magnetic electrode. The polymers studied are regio-regular poly(3-hexylthiophene) (RR-P3HT) and poly(2,5-bis(3-hexadecylthiophen-2-yl)thieno[3,2-b]thiophene (PBTTT) and the magnetic top electrodes are NiFe and Fe. X-ray photoelectron spectroscopy (XPS) is used to determine the bonding at the interface, along with the extent of how oxidised the magnetic layers are, while atomic force microscopy (AFM) is used to determine the surface roughness. A magneto-optic Kerr effect (MOKE) magnetometer is used to study the magnetic properties of the top electrode. It is shown that at the organic–magnetic interface the magnetic atoms interact with the polymer, as metallic–sulphide and metallic-carbide species are present at the interface. It is also shown that the structure of the polymer influences the anisotropy of the magnetic electrode, such that the magnetic electrodes grown on RR-P3HT have uniaxial anisotropy, while those grown on PBTTT are isotropic.

Imaging chemical interfaces perpendicular to the optical axis with focus-engineered coherent anti-Stokes Raman scattering microscopy

International Nuclear Information System (INIS)

Krishnamachari, Vishnu Vardhan; Potma, Eric Olaf

2007-01-01

In vibrational microscopy, it is often necessary to distinguish between chemically distinct microscopic objects and to highlight the 'chemical interfaces' present in the sample under investigation. Here we apply the concept of focus engineering to enhance the sensitivity of coherent anti-Stokes Raman scattering (CARS) microscopy to these interfaces. Based on detailed numerical simulations, we show that using a focused Stokes field with a sharp phase jump along the longitudinal direction leads to the suppression of the signal from bulk regions and improves the signal contrast from vibrational resonant interfaces oriented perpendicular to the axis of beam propagation. We also demonstrate that the CARS spectral response from chemical interfaces exhibits a clean, Raman-like band-shape with such a phase-shaped excitation. This phenomenon of interface highlighting is a consequence of the coherent nature of CARS signal generation and it involves a complex interplay of the spectral phase of the sample and the spatial phase of the excitation fields

Influence of gantry angle in helical computed tomography. Usefullness of 1-dimension sharpness filter

Energy Technology Data Exchange (ETDEWEB)

Kawano, Hirofumi; Suzuki, Toru; Matsuura, Shigeru; Kai, Tsuyoshi; Shimizu, Toshiyuki [Hyuga Hospital of Saiseikai Foundation, Kadogawa, Miyazaki (Japan)

2001-05-01

When we let gantry tilt and do scan in helical CT, vertical sharpness deteriorates. We were able to revise it with 1-dimensional sharpness filter which the square sum of difference of MTF was compared, and was designed this time. And the unsharpness was in proportion to sin of gantry angle. As a result, we led several sets of frequency emphasis degree. There is a model to built 1-dimension sharpness filter in a scan plan. It is useful for clinical diagnoses. (author)

Influence of gantry angle in helical computed tomography. Usefullness of 1-dimension sharpness filter

International Nuclear Information System (INIS)

Kawano, Hirofumi; Suzuki, Toru; Matsuura, Shigeru; Kai, Tsuyoshi; Shimizu, Toshiyuki

2001-01-01

When we let gantry tilt and do scan in helical CT, vertical sharpness deteriorates. We were able to revise it with 1-dimensional sharpness filter which the square sum of difference of MTF was compared, and was designed this time. And the unsharpness was in proportion to sin of gantry angle. As a result, we led several sets of frequency emphasis degree. There is a model to built 1-dimension sharpness filter in a scan plan. It is useful for clinical diagnoses. (author)

Sub-Angstrom oscillation amplitude non-contact atomic force microscopy for lateral force gradient measurement

International Nuclear Information System (INIS)

Atabak, Mehrdad; Unverdi, Ozhan; Ozer, H. Ozguer; Oral, Ahmet

2009-01-01

We report the first results from novel sub-Angstrom oscillation amplitude non-contact atomic force microscopy developed for lateral force gradient measurements. Quantitative lateral force gradients between a tungsten tip and Si(1 1 1)-(7 x 7) surface can be measured using this microscope. Simultaneous lateral force gradient and scanning tunnelling microscope images of single and multi atomic steps are obtained. In our measurement, tunnel current is used as feedback. The lateral stiffness contrast has been observed to be 2.5 N/m at single atomic step, in contrast to 13 N/m at multi atomic step on Si(1 1 1) surface. We also carried out a series of lateral stiffness-distance spectroscopy. We observed lateral stiffness-distance curves exhibit sharp increase in the stiffness as the sample is approached towards the surface. We usually observed positive stiffness and sometimes going into slightly negative region.

Origin of the transition voltage in gold–vacuum–gold atomic junctions

International Nuclear Information System (INIS)

Wu Kunlin; Bai Meilin; Hou Shimin; Sanvito, Stefano

2013-01-01

The origin and the distance dependence of the transition voltage of gold–vacuum–gold junctions are investigated by employing first-principles quantum transport simulations. Our calculations show that atomic protrusions always exist on the electrode surface of gold–vacuum–gold junctions fabricated using the mechanically controllable break junction (MCBJ) method. The transition voltage of these gold–vacuum–gold junctions with atomically sharp electrodes is determined by the local density of states (LDOS) of the apex gold atom on the electrode surface rather than by the vacuum barrier shape. More specifically, the absolute value of the transition voltage roughly equals the rising edge of the LDOS peak contributed by the 6p atomic orbitals of the gold atoms protruding from the electrode surface, whose local Fermi level is shifted downwards when a bias voltage is applied. Since the LDOS of the apex gold atom depends strongly on the exact shape of the electrode, the transition voltage is sensitive to the variation of the atomic configuration of the junction. For asymmetric junctions, the transition voltage may also change significantly depending on the bias polarity. Considering that the occurrence of the transition voltage requires the electrode distance to be larger than a critical value, the interaction between the two electrodes is actually rather weak. Consequently, the LDOS of the apex gold atom is mainly determined by its local atomic configuration and the transition voltage only depends weakly on the electrode distance as observed in the MCBJ experiments. (paper)

Irradiation-induced precipitation in a SUS316 stainless steel using three-dimensional atom probe

Energy Technology Data Exchange (ETDEWEB)

Hatakeyama, M., E-mail: hatake@imr.tohoku.ac.jp [International Research Center for Nuclear Materials Science, IMR/Tohoku University, Narita, Oarai, Ibaraki 311-1313 (Japan); Yamagata, I. [Japan Atom Energy Agency, Narita, Oarai, Ibaraki 311-1393 (Japan)

2013-11-15

Precipitation and segregation were investigated in a compositionally modified 316 austenitic stainless steel, neutron-irradiated at 862 K using a three-dimensional atom probe. In the solution-annealed specimen, Mo, Ti, Nb, C and P enrichment were observed in a silicide, with nominal composition Fe{sub 3}Cr{sub 2}Ni{sub 2}Mo{sub 2}Si{sub 2}. In a Ti-rich carbide, nominaling Fe{sub 5}Cr{sub 8}Ni{sub 10}Mo{sub 2}Ti{sub 11}Si{sub 2}C{sub 6}, enrichment of Mo, Si, O, and Nb was observed. Radiation-induced segregation (RIS) at the precipitate–matrix interface was also investigated at an atomic scale. RIS of Ni and P atoms, which are undersized in Fe, was also analyzed around the interface of the Ti-rich carbide and matrix. Results suggest that the carbide–matrix interface is a sink with an interstitial bias. In the cold-worked specimen, complex-precipitates consisting of silicide and carbide were formed.

Local detection of X-ray spectroscopies with an in-situ Atomic Force Microscope

International Nuclear Information System (INIS)

Rodrigues, M S; Dhez, O; Denmat, S Le; Felici, R; Comin, F; Chevrier, J

2008-01-01

The in situ combination of Scanning Probe Microscopies with X-ray microbeams adds a variety of new possibilities to the panoply of synchrotron radiation techniques. This paper describes an optics-free Atomic Force Microscope that can be directly installed on most of the synchrotron radiation end-stations for combined X-ray and atomic force microscopy experiments. The instrument can be used for atomic force imaging of the investigated sample or to locally measure the X-ray absorption or diffraction, or it can also be used to mechanically interact with the sample while simultaneously taking spectroscopy or diffraction measurements. The local character of these measurements is intrinsically linked with the use of the Atomic Force Microscope tip. It is the sharp tip that gives the opportunity to measure the photons flux impinging on it, or to locally measure the absorption coefficient or the shape of the diffraction pattern. At the end an estimation of the limits of the various techniques presented is also discussed.

Sharp Central Venous Recanalization in Hemodialysis Patients: A Single-Institution Experience

Energy Technology Data Exchange (ETDEWEB)

Arabi, Mohammad, E-mail: marabi2004@hotmail.com; Ahmed, Ishtiaq; Mat’hami, Abdulaziz [Prince Sultan Military Medical City (PSMMC), Division of Endovascular Interventional Radiology, Department of Medical Imaging (Saudi Arabia); Ahmed, Dildar; Aslam, Naveed [Prince Sultan Military Medical City (PSMMC), Department of Nephrology (Saudi Arabia)

2016-06-15

PurposeWe report our institutional experience with sharp central venous recanalization in chronic hemodialysis patients who failed standard techniques.Materials and MethodsSince January 2014, a series of seven consecutive patients (four males and three females), mean age 35 years (18–65 years), underwent sharp central venous recanalization. Indications included obtaining hemodialysis access (n = 6) and restoration of superior vena cava (SVC) patency to alleviate occlusion symptoms and restore fistula function (n = 1). The transseptal needle was used for sharp recanalization in six patients, while it could not be introduced in one patient due to total occlusion of the inferior vena cava. Instead, transmediastinal SVC access using Chiba needle was obtained.ResultsTechnical success was achieved in all cases. SVC recanalization achieved symptoms’ relief and restored fistula function in the symptomatic patient. One patient underwent arteriovenous fistula creation on the recanalized side 3 months after the procedure. The remaining catheters were functional at median follow-up time of 9 months (1–14 months). Two major complications occurred including a right hemothorax and a small hemopericardium, which were managed by covered stent placement across the perforated SVC.ConclusionSharp central venous recanalization using the transseptal needle is feasible technique in patients who failed standard recanalization procedures. The potential high risk of complications necessitates thorough awareness of anatomy and proper technical preparedness.

Sharp Central Venous Recanalization in Hemodialysis Patients: A Single-Institution Experience

International Nuclear Information System (INIS)

Arabi, Mohammad; Ahmed, Ishtiaq; Mat’hami, Abdulaziz; Ahmed, Dildar; Aslam, Naveed

2016-01-01

PurposeWe report our institutional experience with sharp central venous recanalization in chronic hemodialysis patients who failed standard techniques.Materials and MethodsSince January 2014, a series of seven consecutive patients (four males and three females), mean age 35 years (18–65 years), underwent sharp central venous recanalization. Indications included obtaining hemodialysis access (n = 6) and restoration of superior vena cava (SVC) patency to alleviate occlusion symptoms and restore fistula function (n = 1). The transseptal needle was used for sharp recanalization in six patients, while it could not be introduced in one patient due to total occlusion of the inferior vena cava. Instead, transmediastinal SVC access using Chiba needle was obtained.ResultsTechnical success was achieved in all cases. SVC recanalization achieved symptoms’ relief and restored fistula function in the symptomatic patient. One patient underwent arteriovenous fistula creation on the recanalized side 3 months after the procedure. The remaining catheters were functional at median follow-up time of 9 months (1–14 months). Two major complications occurred including a right hemothorax and a small hemopericardium, which were managed by covered stent placement across the perforated SVC.ConclusionSharp central venous recanalization using the transseptal needle is feasible technique in patients who failed standard recanalization procedures. The potential high risk of complications necessitates thorough awareness of anatomy and proper technical preparedness.

The interface of the ferromagnetic metal CoS2 and the nonmagnetic semiconductor FeS2

KAUST Repository

Nazir, S.

2010-11-05

The electronic and magnetic properties of the cubic pyriteCoS2/FeS2interface are studied using the all-electron full-potential linearized augmented plane wave method. We find that this contact between a ferromagneticmetal and a nonmagnetic semiconductor shows a metallic character. The CoS2 stays close to half-metallicity at the interface, while the FeS2 becomes metallic. The magnetic moment of the Co atoms at the interface slightly decreases as compared to the bulk value and a small moment is induced on the Fe atoms. Furthermore, at the interfaceferromagnetic ordering is found to be energetically favorable as compared to antiferromagnetic ordering.

Development of a sharp interface model that simulates coastal aquifer flow with the coupled use of GIS

Science.gov (United States)

Gemitzi, Alexandra; Tolikas, Demetrios

A simulation program, which works seamlessly with GIS and simulates flows in coastal aquifers, is presented in the present paper. The model is based on the Galerkin finite element discretization scheme and it simulates both steady and transient freshwater and saltwater flow, assuming that the two fluids are separated by a sharp interface. The model has been verified in simple cases where analytical solutions exist. The simulation program works as a tool of the GIS program, which is the main database that stores and manages all the necessary data. The combined use of the simulation and the GIS program forms an integrated management tool offering a simpler way of simulating and studying saline intrusion in coastal aquifers. Application of the model to the Yermasogia aquifer illustrates the coupled use of modeling and GIS techniques for the examination of regional coastal aquifer systems. Pour étudier un système aquifère côtier, nous avons développé un modèle aux éléments finis en quasi 3-D qui simule les écoulements d'eau douce et d'eau salée en régime aussi bien permanent que transitoire. Les équations qui les régissent sont discrétisées par un schéma de discrétisation de Garlekin aux éléments finis. Le modèle a été vérifié dans des cas simples où il existe des solutions analytiques. Toutes les données nécessaires sont introduites et gérées grâce à un logiciel de gestion de SIG. Le programme de simulation est utilisé comme un outil du logiciel de SIG, constituant ainsi un outil de gestion intégrée dont le but est de simuler et d'étudier l'intrusion saline dans les aquifères côtiers. L'application du modèle à l'aquifère de Yermasogia illustre l'utilisation couplée de la modélisation et des techniques de SIG pour l'étude des systèmes aquifères côtiers régionaux. Se ha desarrollado un modelo casi tridimensional de elementos finitos para simular el flujo de agua dulce y salada, tanto en régimen estacionario como en

Accurate kinematic measurement at interfaces between dissimilar materials using conforming finite-element-based digital image correlation

KAUST Repository

Tao, Ran

2016-02-11

Digital image correlation (DIC) is now an extensively applied full-field measurement technique with subpixel accuracy. A systematic drawback of this technique, however, is the smoothening of the kinematic field (e.g., displacement and strains) across interfaces between dissimilar materials, where the deformation gradient is known to be large. This can become an issue when a high level of accuracy is needed, for example, in the interfacial region of composites or joints. In this work, we described the application of global conforming finite-element-based DIC technique to obtain precise kinematic fields at interfaces between dissimilar materials. Speckle images from both numerical and actual experiments processed by the described global DIC technique better captured sharp strain gradient at the interface than local subset-based DIC. © 2016 Elsevier Ltd. All rights reserved.

Final Report on Atomic Database Project

International Nuclear Information System (INIS)

Yuan, J.; Gui, Z.; Moses, G.A.

2006-01-01

LTE model, the calculation is simple since the Boltzmann distribution can be used. As long as we have the energy levels and the ionization energy, we can calculate the plasma population very easily. However, for the non-LTE model, the calculation is very complex since various atomic data are required to build the transition balance matrix. Currently, empirical formulas are used to calculate these data such as electron collision ionization and autoionization. Furnished with these tested atomic data computing codes, we have developed a friendly user interface and a flexible atomic database [5]. The UTA model is considered the most practical method for medium and high Z elements since it is very time-consuming and difficult to calculate the enormous number of the transitions. However, the UTA model may overestimate the opacity, therefore, the DTA model is desirable even for medium and high Z elements. With the constant decrease in the cost of the disk storage and increase of CPU speed, it is possible to apply the DTA model to the medium and high Z elements. In this project, we calculate opacities for high Z elements in fully detailed term accounting model for significant populated states. For the various rate coefficients, we calculate the data using the detailed configuration accounting approximation. In order to handle the large volume of data generated for medium to high-Z atoms, we use the HDF data format as our database format, which is becoming a standard for storing scientific data. We have built a sophisticated graphical user interface using Java technology to distinguish our atomic database from other existing databases. Unlike other atomic databases, in which the users can obtain the opacity data in a pair of photon energy and opacity, in our database the user can browser more detailed atomic data information other than the opacity data set by combining our atomic database and Java technology. For example, the user can find out the abundant ion stage and

Effects of the c-Si/a-SiO2 interfacial atomic structure on its band alignment: an ab initio study.

Science.gov (United States)

Zheng, Fan; Pham, Hieu H; Wang, Lin-Wang

2017-12-13

The crystalline-Si/amorphous-SiO 2 (c-Si/a-SiO 2 ) interface is an important system used in many applications, ranging from transistors to solar cells. The transition region of the c-Si/a-SiO 2 interface plays a critical role in determining the band alignment between the two regions. However, the question of how this interface band offset is affected by the transition region thickness and its local atomic arrangement is yet to be fully investigated. Here, by controlling the parameters of the classical Monte Carlo bond switching algorithm, we have generated the atomic structures of the interfaces with various thicknesses, as well as containing Si at different oxidation states. A hybrid functional method, as shown by our calculations to reproduce the GW and experimental results for bulk Si and SiO 2 , was used to calculate the electronic structure of the heterojunction. This allowed us to study the correlation between the interface band characterization and its atomic structures. We found that although the systems with different thicknesses showed quite different atomic structures near the transition region, the calculated band offset tended to be the same, unaffected by the details of the interfacial structure. Our band offset calculation agrees well with the experimental measurements. This robustness of the interfacial electronic structure to its interfacial atomic details could be another reason for the success of the c-Si/a-SiO 2 interface in Si-based electronic applications. Nevertheless, when a reactive force field is used to generate the a-SiO 2 and c-Si/a-SiO 2 interfaces, the band offset significantly deviates from the experimental values by about 1 eV.

Metal-dielectric interfaces in gigascale electronics thermal and electrical stability

CERN Document Server

He, Ming

2012-01-01

Metal-dielectric interfaces are ubiquitous in modern electronics. As advanced gigascale electronic devices continue to shrink, the stability of these interfaces is becoming an increasingly important issue that has a profound impact on the operational reliability of these devices. In this book, the authors present the basic science underlying  the thermal and electrical stability of metal-dielectric interfaces and its relationship to the operation of advanced interconnect systems in gigascale electronics. Interface phenomena, including chemical reactions between metals and dielectrics, metallic-atom diffusion, and ion drift, are discussed based on fundamental physical and chemical principles. Schematic diagrams are provided throughout the book to illustrate  interface phenomena and the principles that govern them. Metal-Dielectric Interfaces in Gigascale Electronics  provides a unifying approach to the diverse and sometimes contradictory test results that are reported in the literature on metal-dielectric i...

On the Acceleration and Transport of Electrons Generated by Intense Laser-Plasma Interactions at Sharp Interfaces

Science.gov (United States)

May, Joshua Joseph

The continued development of the chirped pulse amplification technique has allowed for the development of lasers with powers of in excess of 10 15W, for pulse lengths with durations of between .01 and 10 picoseconds, and which can be focused to energy densities greater than 100 giga-atmospheres. When such lasers are focused onto material targets, the possibility of creating particle beams with energy fluxes of comparable parameters arises. Such interactions have a number of theorized applications. For instance, in the Fast Ignition concept for Inertial Confinement Fusion [1], a high-intensity laser efficiently transfers its energy into an electron beam with an appropriate spectra which is then transported into a compressed target and initiate a fusion reaction. Another possible use is the so called Radiation Pressure Acceleration mechanism, in which a high-intensity, circularly polarized laser is used to create a mono-energetic ion beam which could then be used for medical imaging and treatment, among other applications. For this latter application, it is important that the laser energy is transferred to the ions and not to the electrons. However the physics of such high energy-density laser-matter interactions is highly kinetic and non-linear, and presently not fully understood. In this dissertation, we use the Particle-in-Cell code OSIRIS [2, 3] to explore the generation and transport of relativistic particle beams created by high intensity lasers focused onto solid density matter at normal incidence. To explore the generation of relativistic electrons by such interactions, we use primarily one-dimensional (1D) and two-dimensional (2D), and a few three-dimensional simulations (3D). We initially examine the idealized case of normal incidence of relatively short, plane-wave lasers on flat, sharp interfaces. We find that in 1D the results are highly dependent on the initial temperature of the plasma, with significant absorption into relativistic electrons only

Atomic interactions at the (100) diamond surface and the impact of surface and interface changes on the electronic transport properties

Science.gov (United States)

Deferme, Wim

Centuries and centuries already, diamond is a material that speaks to ones imagination. Till the 18th century it was only mined in India, after it was also found in Brazil and South-Africa. But along the fascinating properties of diamond, it is also a very interesting material for industry. After the discovery at the end of the 18th century that diamond consists of carbon, it took until the 50's of the previous century before research groups from Russia, Japan and the USA were able to reproduce the growth process of diamond. In 1989 it was discovered that the surface of intrinsic, insulation diamond can be made conductive by hydrogenating the surface. It was clear that not only hydrogen at the surface but also the so called "adsorbates" were responsible for this conductivity. It was still not completely clear what was the influence of other species (like oxygen) on the mechanism of surface conductivity and therefore in this thesis the influence of oxygen on the electronic transport properties of atomically flat diamond are researched. Besides the growth of atomically flat diamond with the use of CVD (chemical vapour deposition) en the study of the grown surfaces with characterising techniques such as AFM (atomic force microscopy) and STM (scanning tunnelling microscopy), the study of the surface treatment with plasma techniques is the main topic of this thesis. The influence of oxygen on the surface conductivity is studied and with the ToF (Time-of-Flight) technique the transport properties of the freestanding diamond are examined. With a short laserflash, electrons and holes are created at the diamond/aluminium interface and due to an electric field (up to 500V) the charge carriers are translated to the back contact. In this way the influence of the surface and the changes at the aluminum contacts is studied leading to very interesting results.

Maintaining knife sharpness in industrial meat cutting: A matter of knife or meat cutter ability.

Science.gov (United States)

Karltun, J; Vogel, K; Bergstrand, M; Eklund, J

2016-09-01

Knife sharpness is imperative in meat cutting. The aim of this study was to compare the impact of knife blade steel quality with meat cutters' individual ability to maintain the cutting edge sharp in an industrial production setting. Twelve meat cutters in two different companies using three different knives during normal production were studied in this quasi-experimental study. Methods included were measuring knife cutting force before and after knife use, time knives were used, ratings of sharpness and discomfort and interviews. Results showed that the meat cutters' skill of maintaining sharpness during work had a much larger effect on knife sharpness during work than the knife steel differences. The ability was also related to feelings of discomfort and to physical exertion. It was found that meat cutters using more knives were more likely to suffer from discomfort in the upper limbs, which is a risk for developing MSD. Copyright © 2016 Elsevier Ltd. All rights reserved.

Lacosamide and Levetiracetam Have No Effect on Sharp-Wave Ripple Rate.

Science.gov (United States)

Kudlacek, Jan; Chvojka, Jan; Posusta, Antonin; Kovacova, Lubica; Hong, Seung Bong; Weiss, Shennan; Volna, Kamila; Marusic, Petr; Otahal, Jakub; Jiruska, Premysl

2017-01-01

Pathological high-frequency oscillations are a novel marker used to improve the delineation of epileptogenic tissue and, hence, the outcome of epilepsy surgery. Their practical clinical utilization is curtailed by the inability to discriminate them from physiological oscillations due to frequency overlap. Although it is well documented that pathological HFOs are suppressed by antiepileptic drugs (AEDs), the effect of AEDs on normal HFOs is not well known. In this experimental study, we have explored whether physiological HFOs (sharp-wave ripples) of hippocampal origin respond to AED treatment. The results show that application of a single dose of levetiracetam or lacosamide does not reduce the rate of sharp-wave ripples. In addition, it seems that these new generation drugs do not negatively affect the cellular and network mechanisms involved in sharp-wave ripple generation, which may provide a plausible explanation for the absence of significant negative effects on cognitive functions of these drugs, particularly on memory.

Validity of the "sharp-kink approximation" for water and other fluids.

Science.gov (United States)

Garcia, R; Osborne, K; Subashi, E

2008-07-10

The contact angle of a liquid droplet on a solid surface is a direct measure of fundamental atomic-scale forces acting between liquid molecules and the solid surface. In this work, the validity is assessed of a simple equation, which approximately relates the contact angle of a liquid on a surface to its density, its surface tension, and the effective molecule-surface potential. This equation is derived in the sharp-kink approximation, where the density profile of the liquid is assumed to drop precipitously within one molecular diameter of the substrate. It is found that this equation satisfactorily reproduces the temperature-dependence of the contact angle for helium on alkali metal surfaces. The equation also seems be applicable to liquids such as water on solid surfaces such as gold and graphite, on the basis of a comparison of predicted and measured contact angles near room-temperature. Nevertheless, we conclude that, to fully test the equation's applicability to fluids such as water, it remains necessary to measure the contact angle's temperature-dependence. We hypothesize that the effects of electrostatic forces can increase with temperature, potentially driving the wetting temperature much higher and closer to the critical point, or lower, closer to room temperature, than predicted using current theories.

Jasper Sharp - mees, kes jättis varasema töö, et vaadata Jaapani filme / Jasper Sharp ; intervjueerinud Helen Merila

Index Scriptorium Estoniae

Sharp, Jasper, 1971-

2011-01-01

Euroopa kultuuripealinn Tallinn 2011 programmi osana ning koostöös Zipangu Fest'iga korraldatakse Tallinna Kinomajas 25.-28. aug.-ni Aasia sõltumatute filmide festival EVA - East via Asia. Festivali kuraator, veebisaidi Midnight Eye kaastoimetaja Jasper Sharp endast, festivalist, Jaapani sõltumatust kinost tänapäeval. Festivali kava

A report on SHARP (Spacecraft Health Automated Reasoning Prototype) and the Voyager Neptune encounter

Science.gov (United States)

Martin, R. G. (Editor); Atkinson, D. J.; James, M. L.; Lawson, D. L.; Porta, H. J.

1990-01-01

The development and application of the Spacecraft Health Automated Reasoning Prototype (SHARP) for the operations of the telecommunications systems and link analysis functions in Voyager mission operations are presented. An overview is provided of the design and functional description of the SHARP system as it was applied to Voyager. Some of the current problems and motivations for automation in real-time mission operations are discussed, as are the specific solutions that SHARP provides. The application of SHARP to Voyager telecommunications had the goal of being a proof-of-capability demonstration of artificial intelligence as applied to the problem of real-time monitoring functions in planetary mission operations. AS part of achieving this central goal, the SHARP application effort was also required to address the issue of the design of an appropriate software system architecture for a ground-based, highly automated spacecraft monitoring system for mission operations, including methods for: (1) embedding a knowledge-based expert system for fault detection, isolation, and recovery within this architecture; (2) acquiring, managing, and fusing the multiple sources of information used by operations personnel; and (3) providing information-rich displays to human operators who need to exercise the capabilities of the automated system. In this regard, SHARP has provided an excellent example of how advanced artificial intelligence techniques can be smoothly integrated with a variety of conventionally programmed software modules, as well as guidance and solutions for many questions about automation in mission operations.

Adhesion and Atomic Structures of Gold on Ceria Nanostructures:The Role of Surface Structure and Oxidation State of Ceria Supports

Energy Technology Data Exchange (ETDEWEB)

Lin, Yuyuan [Northwestern University, Evanston; Wu, Zili [ORNL; Wen, Jianguo [Argonne National Laboratory (ANL); Poeppelmeier, Kenneth R [Northwestern University, Evanston; Marks, Laurence D [Northwestern University, Evanston

2015-01-01

Recent advances in heterogeneous catalysis have demonstrated that oxides supports with the same material but different shapes can result in metal catalysts with distinct catalytic properties. The shape-dependent catalysis was not well-understood owing to the lack of direct visualization of the atomic structures at metal-oxide interface. Herein, we utilized aberration-corrected electron microscopy and revealed the atomic structures of gold particles deposited on ceria nanocubes and nanorods with {100} or {111} facets exposed. For the ceria nanocube support, gold nanoparticles have extended atom layers at the metal-support interface. In contrast, regular gold nanoparticles and rafts are present on the ceria nanorod support. After hours of water gas shift reaction, the extended gold atom layers and rafts vanish, which is associated with the decrease of the catalytic activities. By understanding the atomic structures of the support surfaces, metal-support interfaces, and morphologies of the gold particles, a direct structure-property relationship is established.

Needlestick and Sharp Instruments Injuries among Brazilian Dentistry Students

Science.gov (United States)

Fernandes, Liege Helena Freitas; Nunes, Wanúbia Barbosa; Silva, Larissa Costa; Wanderley, Rayssa Lucena; Barros, Criseuda Maria Benício; Cavalcanti, Alessandro Leite

2017-01-01

Background: The occurrence of occupational accidents is common among students and dentists. The present study is aimed to evaluate the prevalence and characteristics of needlestick and sharp instrument injuries among dentistry students. Materials and Methods: A documentary research was carried out with data being obtained from the analysis of 137 medical records of injuries caused by needlestick and sharp instruments occurring in the period from 2012 to 2016 and were analyzed regarding the characteristics of the victim (gender and age) and the accident (year, time, environment, and time interval between exposure and search for care). Data were organized in the Statistical Package for Social Sciences software version 18 and were presented through descriptive statistics. Results: The occurrence of accidents was high (43.1%), with the predominance of female victims (66.1%) and aged up to 23 years (55.9%). The majority of events occurred in the afternoon (54.4%), in the clinical setting (70.7%), and in 75% of the cases, the search for care occurred within 2 h after exposure. Conclusion: Accidents with needlestick and sharp instruments have high frequency and involve mainly female students. They are more common in the afternoon and in the clinical setting and the time interval was between exposure and the search for care complied with recommendations of the Brazilian legislation. PMID:28566861

A topological quantum optics interface.

Science.gov (United States)

Barik, Sabyasachi; Karasahin, Aziz; Flower, Christopher; Cai, Tao; Miyake, Hirokazu; DeGottardi, Wade; Hafezi, Mohammad; Waks, Edo

2018-02-09

The application of topology in optics has led to a new paradigm in developing photonic devices with robust properties against disorder. Although considerable progress on topological phenomena has been achieved in the classical domain, the realization of strong light-matter coupling in the quantum domain remains unexplored. We demonstrate a strong interface between single quantum emitters and topological photonic states. Our approach creates robust counterpropagating edge states at the boundary of two distinct topological photonic crystals. We demonstrate the chiral emission of a quantum emitter into these modes and establish their robustness against sharp bends. This approach may enable the development of quantum optics devices with built-in protection, with potential applications in quantum simulation and sensing. Copyright © 2018 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works.

Status report on SHARP coupling framework.

Energy Technology Data Exchange (ETDEWEB)

Caceres, A.; Tautges, T. J.; Lottes, J.; Fischer, P.; Rabiti, C.; Smith, M. A.; Siegel, A.; Yang, W. S.; Palmiotti, G.

2008-05-30

This report presents the software engineering effort under way at ANL towards a comprehensive integrated computational framework (SHARP) for high fidelity simulations of sodium cooled fast reactors. The primary objective of this framework is to provide accurate and flexible analysis tools to nuclear reactor designers by simulating multiphysics phenomena happening in complex reactor geometries. Ideally, the coupling among different physics modules (such as neutronics, thermal-hydraulics, and structural mechanics) needs to be tight to preserve the accuracy achieved in each module. However, fast reactor cores in steady state mode represent a special case where weak coupling between neutronics and thermal-hydraulics is usually adequate. Our framework design allows for both options. Another requirement for SHARP framework has been to implement various coupling algorithms that are parallel and scalable to large scale since nuclear reactor core simulations are among the most memory and computationally intensive, requiring the use of leadership-class petascale platforms. This report details our progress toward achieving these goals. Specifically, we demonstrate coupling independently developed parallel codes in a manner that does not compromise performance or portability, while minimizing the impact on individual developers. This year, our focus has been on developing a lightweight and loosely coupled framework targeted at UNIC (our neutronics code) and Nek (our thermal hydraulics code). However, the framework design is not limited to just using these two codes.

Is there a sharp phase transition for deterministic cellular automata?

International Nuclear Information System (INIS)

Wootters, W.K.

1990-01-01

Previous work has suggested that there is a kind of phase transition between deterministic automata exhibiting periodic behavior and those exhibiting chaotic behavior. However, unlike the usual phase transitions of physics, this transition takes place over a range of values of the parameter rather than at a specific value. The present paper asks whether the transition can be made sharp, either by taking the limit of an infinitely large rule table, or by changing the parameter in terms of which the space of automata is explored. We find strong evidence that, for the class of automata we consider, the transition does become sharp in the limit of an infinite number of symbols, the size of the neighborhood being held fixed. Our work also suggests an alternative parameter in terms of which it is likely that the transition will become fairly sharp even if one does not increase the number of symbols. In the course of our analysis, we find that mean field theory, which is our main tool, gives surprisingly good predictions of the statistical properties of the class of automata we consider. 18 refs., 6 figs

Synchrotron X-ray scattering studies at mineral-water interfaces

International Nuclear Information System (INIS)

Chiarello, R.P.; Sturchio, N.C.

1995-01-01

Synchrotron X-ray scattering techniques provide a powerful tool for the in situ study of atomic scale processes occurring at solid-liquid interfaces. We have applied these techniques to characterize and study reactions at mineral-water interfaces. Here we present two examples. The first is the characterization of the calcite (CaCO 3 ) (10 bar 14) cleavage surface, in equilibrium with deionized water, by crystal truncation rod measurements. The second is the in situ study of the heteroepitaxial growth of otavite (CdCO 3 ) on the calcite (10 bar 14) cleavage surface. The results of such studies will lead to significant progress in understanding mineral-water interface geochemistry

Low-energy positron interactions with atoms and molecules

International Nuclear Information System (INIS)

Surko, C M; Gribakin, G F; Buckman, S J

2005-01-01

This paper is a review of low-energy positron interactions with atoms and molecules. Processes of interest include elastic scattering, electronic and vibrational excitation, ionization, positronium formation and annihilation. An overview is presented of the currently available theoretical and experimental techniques to study these phenomena, including the use of trap-based positron beam sources to study collision processes with improved energy resolution. State-resolved measurements of electronic and vibrational excitation cross sections and measurement of annihilation rates in atoms and molecules as a function of incident positron energy are discussed. Where data are available, comparisons are made with analogous electron scattering cross sections. Resonance phenomena, common in electron scattering, appear to be less common in positron scattering. Possible exceptions include the sharp onsets of positron-impact electronic and vibrational excitation of selected molecules. Recent energy-resolved studies of positron annihilation in hydrocarbons containing more than a few carbon atoms provide direct evidence that vibrational Feshbach resonances underpin the anomalously large annihilation rates observed for many polyatomic species. We discuss open questions regarding this process in larger molecules, as well as positron annihilation in smaller molecules where the theoretical picture is less clear. (topical review)

Interface currents in topological superconductor–ferromagnet heterostructures

International Nuclear Information System (INIS)

Brydon, P M R; Timm, Carsten; Schnyder, Andreas P

2013-01-01

We propose the existence of a substantial charge current parallel to the interface between a noncentrosymmetric superconductor and a metallic ferromagnet. Our analysis focuses upon two complementary orbital-angular-momentum pairing states of the superconductor, exemplifying topologically nontrivial states which are gapped and gapless in the bulk, respectively. Utilizing a quasiclassical scattering theory, we derive an expression for the interface current in terms of Andreev reflection coefficients. Performing a systematic study of the current, we find stark qualitative differences between the gapped and gapless superconductors, which reflect the very different underlying topological properties. For the fully gapped superconductor, there is a sharp drop in the zero-temperature current as the system is tuned from a topologically nontrivial to a trivial phase. We explain this in terms of the sudden disappearance of the contribution to the current from the subgap edge states at the topological transition. The current in the gapless superconductor is characterized by a dramatic enhancement at low temperatures, and exhibits a singular dependence on the exchange-field strength in the ferromagnetic metal at zero temperature. This is caused by the energy shift of the strongly spin-polarized nondegenerate zero-energy flat bands due to their coupling to the exchange field. We argue that the interface current provides a novel test of the topology of the superconductor, and discuss prospects for the experimental verification of our predictions. (paper)

Observation of Structure of Surfaces and Interfaces by Synchrotron X-ray Diffraction: Atomic-Scale Imaging and Time-Resolved Measurements

Science.gov (United States)

Wakabayashi, Yusuke; Shirasawa, Tetsuroh; Voegeli, Wolfgang; Takahashi, Toshio

2018-06-01

The recent developments in synchrotron optics, X-ray detectors, and data analysis algorithms have enhanced the capability of the surface X-ray diffraction technique. This technique has been used to clarify the atomic arrangement around surfaces in a non-contact and nondestructive manner. An overview of surface X-ray diffraction, from the historical development to recent topics, is presented. In the early stage of this technique, surface reconstructions of simple semiconductors or metals were studied. Currently, the surface or interface structures of complicated functional materials are examined with sub-Å resolution. As examples, the surface structure determination of organic semiconductors and of a one-dimensional structure on silicon are presented. A new frontier is time-resolved interfacial structure analysis. A recent observation of the structure and dynamics of the electric double layer of ionic liquids, and an investigation of the structural evolution in the wettability transition on a TiO2 surface that utilizes a newly designed time-resolved surface diffractometer, are presented.

Sharp Embeddings of Besov Spaces with Logarithmic Smoothness

Czech Academy of Sciences Publication Activity Database

Gurka, P.; Opic, Bohumír

2005-01-01

Roč. 18, č. 1 (2005), s. 81-110 ISSN 1139-1138 R&D Projects: GA ČR(CZ) GA201/01/0333 Institutional research plan: CEZ:AV0Z10190503 Keywords : Besov spaces wirh logarithmic smoothness * Lorentz-Zygmund spaces * sharp embeddings Subject RIV: BA - General Mathematics

A faunistic study of genus Chasmogenus Sharp, 1882 of China (Coleoptera, Hydrophilidae).

Science.gov (United States)

Jia, Fenglong; Tang, Yu-Dan

2018-01-01

Chasmogenus Sharp, 1882 is newly reported from the Chinese Mainland. A new species, C. parorbus sp. n. , is described from China (Yunnan). Chasmogenus orbus Watanabe, 1987 is reported from Hong Kong, the first record outside Japan. Chasmogenus abnormalis (Sharp, 1890) is reported from the Chinese mainland for the first time. The male genitalia of each species are illustrated. A key to the Chinese species of the genus is provided.

Investigating the effects of smoothness of interfaces on stability of probing nano-scale thin films by neutron reflectometry

Directory of Open Access Journals (Sweden)

S.S. Jahromi

2012-03-01

Full Text Available Most of the reflectometry methods which are used for determining the phase of complex reflection coefficient such as Reference Method and Variation of Surroundings medium are based on solving the Schrödinger equation using a discontinuous and step-like scattering optical potential. However, during the deposition process for making a real sample the two adjacent layers are mixed together and the interface would not be discontinuous and sharp. The smearing of adjacent layers at the interface (smoothness of interface, would affect the the reflectivity, phase of reflection coefficient and reconstruction of the scattering length density (SLD of the sample. In this paper, we have investigated the stability of Reference Method in the presence of smooth interfaces. The smoothness of interfaces is considered by using a continuous function scattering potential. We have also proposed a method to achieve the most reliable output result while retrieving the SLD of the sample.

Design of a WWW database server for Atomic Spectroscopy Data

Energy Technology Data Exchange (ETDEWEB)

Contis, A

1995-12-01

The department of Atomic Spectroscopy at Lund Univ produces large amounts of experimental data on energy levels and emissions for atomic systems. In order to make this data easily available to users outside the institution, a database has been produced and made available on the Internet. This report describes the organization of the data and the Internet interface of the data base. 4 refs.

Design of a WWW database server for Atomic Spectroscopy Data

International Nuclear Information System (INIS)

Contis, A.

1995-12-01

The department of Atomic Spectroscopy at Lund Univ produces large amounts of experimental data on energy levels and emissions for atomic systems. In order to make this data easily available to users outside the institution, a database has been produced and made available on the Internet. This report describes the organization of the data and the Internet interface of the data base. 4 refs

Crystalline to amorphous transformation in silicon

International Nuclear Information System (INIS)

Cheruvu, S.M.

1982-09-01

In the present investigation, an attempt was made to understand the fundamental mechanism of crystalline-to-amorphous transformation in arsenic implanted silicon using high resolution electron microscopy. A comparison of the gradual disappearance of simulated lattice fringes with increasing Frenkel pair concentration with the experimental observation of sharp interfaces between crystalline and amorphous regions was carried out leading to the conclusion that when the defect concentration reaches a critical value, the crystal does relax to an amorphous state. Optical diffraction experiments using atomic models also supported this hypothesis. Both crystalline and amorphous zones were found to co-exist with sharp interfaces at the atomic level. Growth of the amorphous fraction depends on the temperature, dose rate and the mass of the implanted ion. Preliminary results of high energy electron irradiation experiments at 1.2 MeV also suggested that clustering of point defects occurs near room temperature. An observation in a high resolution image of a small amorphous zone centered at the core of a dislocation is presented as evidence that the nucleation of an amorphous phase is heterogeneous in nature involving clustering or segregation of point defects near existing defects

Surface half-metallicity of half-Heusler compound FeCrSe and interface half-metallicity of FeCrSe/GaP

Energy Technology Data Exchange (ETDEWEB)

Khalaf Al-zyadi, Jabbar M., E-mail: jabbar_alzyadi@yahoo.com [Department of Physics, College of Education for Pure Sciences, University of Basrah (Iraq); Jolan, Mudhahir H. [Department of Physics, College of Education for Pure Sciences, University of Basrah (Iraq); Yao, Kai-Lun, E-mail: klyao@mail.hust.edu.cn [School of Physics and Wuhan National High Magnetic Field Center, Huazhong University of Science and Technology, Wuhan 430074 (China); International Center of Materials Physics, Chinese Academy of Sciences, Shenyang 110015 (China)

2016-04-01

Recent studies showed that half-Heusler FeCrSe exhibits half-metallic ferromagnetism (Huang et al. [20]). In this paper, we investigate extensively the electronic, magnetic, and half-metallic properties of the half-Heusler alloy FeCrSe (111) and (001) surfaces and the interface with GaP (111) substrate by using the first-principles calculations within the density functional theory. The atomic density of states demonstrates that the half-me tallicity verified in the bulk FeCrSe is maintained at the CrSe-terminated (001) and Se-terminated (111) surfaces, but lost at both Cr- and Fe-terminated (111) surfaces and the Fe-terminated (001) surface. Alternatively, for the interface of FeCrSe/GaP (111), the bulk half-metallicity is destroyed at Se–P configuration while Se–Ga interface and subinterface show nearly 100% spin polarization. Moreover, the calculated interfacial adhesion energies exhibit that Se–Ga shape is more stable than the Se–P one. The calculated magnetic moments of Se, Ga at the Se–Ga (111) interface and P at the Se–P (111) interface increase with respect to the corresponding bulk values while the atomic magnetic moment of Se atom at the Se–P (111) interface decreases. We also notice that the magnetic moments of subinterface Fe at both Se–Ga and Se–P (111) interfaces decrease compared to the bulk values. - Highlights: • The half-metallicity verified in the bulk FeCrSe is kept at the CrSe-terminated (001) and Se-terminated (111) surfaces. • The calculated interfacial adhesion energies exhibit that Se–Ga shape is more stable than Se–P. • The magnetic moments of Se, Ga and P atoms at the interface increase. • The Se–Ga interface shows nearly 100% spin polarization.

Origin of interface states and oxide charges generated by ionizing radiation

International Nuclear Information System (INIS)

Sah, C.T.

1976-01-01

The randomly located trivalent silicon atoms are shown to account for the thermally generated interface states at the SiO 2 -Si interface. The interface state density is greatly reduced in water containing ambients at low temperatures (450 0 C) by forming trivalent silicon hydroxide bonds. Interface states are regenerated when the /triple bond/Si-OH bonds are broken by ionizing radiation and the OH ions are drifted away. In the bulk of the oxide film, the trivalent silicon and the interstitial oxygen donor centers are shown to be responsible for the heat and radiation generated positive space charge build-up (oxide charge) in thermally grown silicon oxide

Electronic structure imperfections and chemical bonding at graphene interfaces

Science.gov (United States)

Schultz, Brian Joseph

The manifestation of novel phenomena upon scaling to finite size has inspired a paradigm shift in materials science that takes advantage of the distinctive electrical and physical properties of nanomaterials. Remarkably, the simple honeycomb arrangement of carbon atoms in a single atomic layer has become renowned for exhibiting never-before-seen electronic and physical phenomena. This archetypal 2-dimensional nanomaterial is known as graphene, a single layer of graphite. Early reports in the 1950's eluded to graphene-like nanostructures that were evidenced from exfoliation of oxidized graphite followed by chemical reduction, absorbed carbon on transition metals, and thermal decomposition of SiC. Furthermore, the earliest tight binding approximation calculations in the 1950's held clues that a single-layer of graphite would behave drastically different than bulk graphite. Not until 2004, when Giem and Novoselov first synthesized graphene by mechanical exfoliation from highly-oriented pyrolytic graphite did the field of graphene-based research bloom within the scientific community. Since 2004, the availability and relatively straight forward synthesis of single-layer graphene (SLG) enabled the observation of remarkable phenomena including: massless Dirac fermions, extremely high mobilities of its charge carriers, room temperature half-integer quantum Hall effect, the Rashba effect, and the potential for ballistic conduction over macroscopic distances. These enticing electronic properties produce the drive to study graphene for use in truly nanoscale electrical interconnects, integrated circuits, transparent conducting electrodes, ultra-high frequency transistors, and spintronic devices, just to name a few. Yet, for almost all real world applications graphene will need to be interfaced with other materials, metals, dielectrics, organics, or any combination thereof that in turn are constituted from various inorganic and organic components. Interfacing graphene, a

Chemical reaction at ferromagnet/oxide interface and its influence on anomalous Hall effect

International Nuclear Information System (INIS)

Liu, Yi-Wei; Teng, Jiao; Zhang, Jing-Yan; Liu, Yang; Chen, Xi; Li, Xu-Jing; Feng, Chun; Wang, Hai-Cheng; Li, Ming-Hua; Yu, Guang-Hua; Wu, Zheng-Long

2014-01-01

Chemical reactions at the ferromagnet/oxide interface in [Pt/Fe] 3 /MgO and [Pt/Fe] 3 /SiO 2 multilayers before and after annealing were investigated by X-ray photoelectron spectroscopy. The results show that Fe atoms at the Fe/MgO interface were completely oxidized in the as-grown state and significantly deoxidized after vacuum annealing. However, only some of the Fe atoms at the Fe/SiO 2 interface were oxidized and rarely deoxidized after annealing. The anomalous Hall effect was modified by this interfacial chemical reaction. The saturation anomalous Hall resistance (R xy ) was greatly increased in the [Pt/Fe] 3 /MgO multilayers after annealing and was 350% higher than that in the as-deposited film, while R xy of the [Pt/Fe] 3 /SiO 2 multilayer only increased 10% after annealing.

Transmission electron microscopy investigation of interfaces in a two-phase TiAl alloy

Science.gov (United States)

Mahon, G. J.; Howe, J. M.

1990-06-01

The atomic structures of the γ/α2 and γ/γT interfaces in a TiAl alloy were investigated using conventional and high-resolution transmission electron microscopy (TEM) in order to understand the growth mechanisms and deformation behavior of the two-phase alloy. The results show that the α2 plates grow from the γ phase by the migration of a/6 partial dislocation ledges across the faces and that the γ/α2 interface usually contains closely spaced arrays of interfacial dislocations. Deformation twins cut through both γ twin boundaries and α2 plates during deformation, although slip of twinning c slocations through α2 appears to be a difficult process. Both the γ/α2 and γ/γT interfaces can be imaged and modeled at the atomic level, although slight crystal and/or beam tilt can complicate image interpretation.