WorldWideScience

Sample records for light point defect

  1. Point defects in solids

    International Nuclear Information System (INIS)

    Anon.

    1978-01-01

    The principal properties of point defects are studied: thermodynamics, electronic structure, interactions with etended defects, production by irradiation. Some measuring methods are presented: atomic diffusion, spectroscopic methods, diffuse scattering of neutron and X rays, positron annihilation, molecular dynamics. Then points defects in various materials are investigated: ionic crystals, oxides, semiconductor materials, metals, intermetallic compounds, carbides, nitrides [fr

  2. Optical spectroscopy and microscopy of radiation-induced light-emitting point defects in lithium fluoride crystals and films

    Science.gov (United States)

    Montereali, R. M.; Bonfigli, F.; Menchini, F.; Vincenti, M. A.

    2012-08-01

    Broad-band light-emitting radiation-induced F2 and F3+ electronic point defects, which are stable and laser-active at room temperature in lithium fluoride crystals and films, are used in dosimeters, tuneable color-center lasers, broad-band miniaturized light sources and novel radiation imaging detectors. A brief review of their photoemission properties is presented, and their behavior at liquid nitrogen temperatures is discussed. Some experimental data from optical spectroscopy and fluorescence microscopy of these radiation-induced point defects in LiF crystals and thin films are used to obtain information about the coloration curves, the efficiency of point defect formation, the effects of photo-bleaching processes, etc. Control of the local formation, stabilization, and transformation of radiation-induced light-emitting defect centers is crucial for the development of optically active micro-components and nanostructures. Some of the advantages of low temperature measurements for novel confocal laser scanning fluorescence microscopy techniques, widely used for spatial mapping of these point defects through the optical reading of their visible photoluminescence, are highlighted.

  3. Point and line defects which are common to both degraded light emitting diodes and plastically deformed GaAs

    International Nuclear Information System (INIS)

    Liliental, Z.

    1983-01-01

    Similar dipoles with Burger's vector b = a/2 [101] (also referred to as dark line defects) were found in the active layer of degraded light emitting diodes (LED's) and in plastically deformed GaAs. The dependence of characteristic x-ray production of electron channeling conditions has been used in an electron microscope to study point defects in the neighbourhood of these dipoles. Our results are consistent with the occurence of I/sub As/, I/sub As/ +V/sub Ga/, V/sub Ga/ and IAs in descending order of likelihood. Of these, I/sub As/ +V/sub Ga/ can explain the dislocation climb without any extra point defects involved in such process

  4. Point defects in platinum

    International Nuclear Information System (INIS)

    Piercy, G.R.

    1960-01-01

    An investigation was made of the mobility and types of point defect introduced in platinum by deformation in liquid nitrogen, quenching into water from 1600 o C, or reactor irradiation at 50 o C. In all cases the activation energy for motion of the defect was determined from measurements of electrical resistivity. Measurements of density, hardness, and x-ray line broadening were also made there applicable. These experiments indicated that the principal defects remaining in platinum after irradiation were single vacant lattice sites and after quenching were pairs of vacant lattice sites. Those present after deformation In liquid nitrogen were single vacant lattice sites and another type of defect, perhaps interstitial atoms. (author)

  5. Point defects in nickel

    International Nuclear Information System (INIS)

    Peretto, P.

    1969-01-01

    The defects in electron irradiated nickel (20 deg. K) or neutron irradiated nickel (28 deg. K) are studied by simultaneous analysis using the magnetic after-effect, electron microscopy and electrical resistivity recovery. We use zone refined nickel (99.999 per cent) which, for some experiments, is alloyed with a small amount of iron (for example 0.1 per cent Fe). The temperature dependant electrical recovery may be divided in four stages. The sub-stages I B (31 deg. K), I C (42 deg. K), I D (from to 57 deg. K) and I E (62 deg. K) of stage I are due to the disappearance of single interstitials into vacancies. The interstitial defect has a split configuration with a migration energy of about 0.15 eV. In the close pair which disappears in stage I B the interstitial is found to be in a 3. neighbour position whilst in stage I D it is near the direction from the vacancy. In stage I E there is no longer any interaction between the interstitial and the vacancy. The stage II is due to more complicated interstitial defects: di-interstitials for stage II B (84 deg. K) and larger and larger interstitial loops for the following sub-stages. The loops may be seen by electron microscopy. Impurities can play the role of nucleation centers for the loops. Stages III A (370 deg. K) and III B (376 deg. K) are due to two types of di-vacancies. During stage IV (410 deg. K) the single vacancies migrate. Vacancy type loops and interstitial type loops grow concurrently and disappear at about 800 deg. K as observed by electron microscopy. (author) [fr

  6. Influences of point defects on electrical and optical properties of InGaN light-emitting diodes at cryogenic temperature

    Science.gov (United States)

    Tu, Yi; Ruan, Yujiao; Zhu, Lihong; Tu, Qingzhen; Wang, Hongwei; Chen, Jie; Lu, Yijun; Gao, Yulin; Shih, Tien-Mo; Chen, Zhong; Lin, Yue

    2018-04-01

    We investigate the cryogenic external quantum efficiency (EQE) for some InGaN light-emitting diodes with different indium contents. We observe a monotonic decrease in EQE with the increasing forward current before the "U-turn" point, beyond which the thermal effect increases the EQE. We discover positive dependences among the droop rate (χ), differential electrical resistance (Rd), and indium content. Also, χ and Rd of individual green samples shift correspondingly during the aging test, when the Mg ions are activated at high injection density and diffuse into the active region. Considering the fact that both In and Mg ions would introduce point defects (PDs), we proposed a model that reveals the mechanism of interplay between PDs and carriers. PDs serve as both energy traps and non-radiative recombination centers. They attract and confine carriers, leading to an increase in Rd and a decrease in EQE.

  7. Characterization of point defects in monolayer arsenene

    Science.gov (United States)

    Liang, Xiongyi; Ng, Siu-Pang; Ding, Ning; Wu, Chi-Man Lawrence

    2018-06-01

    Topological defects that are inevitably found in 2D materials can dramatically affect their properties. Using density functional theory (DFT) calculations and ab initio molecular dynamics (AIMD) method, the structural, thermodynamic, electronic and magnetic properties of six types of typical point defects in arsenene, i.e. the Stone-Wales defect, single and double vacancies and adatoms, were systemically studied. It was found that these defects were all more easily generated in arsenene with lower formation energies than those with graphene and silicene. Stone-Wales defects can be transformed from pristine arsenene by overcoming a barrier of 2.19 eV and single vacancy defects tend to coalesce into double vacancy defects by diffusion. However, a type of adatom defect does not exhibit kinetic stability at room temperature. In addition, SV defects and another type of adatom defect can remarkably affect the electronic and magnetic properties of arsenene, e.g. they can introduce localized states near the Fermi level, as well as a strongly local magnetic moment due to dangling bond and unpaired electron. Furthermore, the simulated scanning tunneling microscopy (STM) and Raman spectroscopy were computed and the types of point defects can be fully characterized by correlating the STM images and Raman spectra to the defective atomistic structures. The results provide significant insights to the effect of defects in arsenene for potential applications, as well as identifications of two helpful tools (STM and Raman spectroscopy) to distinguish the type of defects in arsenene for future experiments.

  8. Point defects and atomic transport in crystals

    International Nuclear Information System (INIS)

    Lidiard, A.B.

    1981-02-01

    There are two principle aspects to the theory of atomic transport in crystals as caused by the action of point defects, namely (1) the calculation of relevant properties of the point defects (energies and other thermodynamic characteristics of the different possible defects, activation energies and other mobility parameters) and (2) the statistical mechanics of assemblies of defects, both equilibrium and non-equilibrium assemblies. In the five lectures given here both these aspects are touched on. The first two lectures are concerned with the calculation of relevant point defect properties, particularly in ionic crystals. The first lecture is more general, the second is concerned particularly with some recent calculations of the free volumes of formation of defects in various ionic solids; these solve a rather long-standing problem in this area. The remaining three lectures are concerned with the kinetic theory of defects mainly in relaxation, drift and diffusion situations

  9. Point Defect Identification and Management for Sub-300 nm Light Emitting Diodes and Laser Diodes Grown on Bulk AlN Substrates

    Science.gov (United States)

    Bryan, Zachary A.

    The identification and role of point defects in AlN thin films and bulk crystals are studied. High-resolution photoluminescence studies on doped and undoped c-plane and mplane homoepitaxial films reveal several sharp donor-bound exciton (DBX) peaks with a full width at half maximum (FWHM) as narrow as 500 microeV. Power dependent photoluminescence distinguish DBXs tied to the Gamma5 free exciton (FX) from those tied to the Gamma 1 FX. The DBX transitions at 6.012 and 6.006 eV are identified as originating from the neutral-donor-silicon (Si0X) and neutral-donor-oxygen (O0X) respectively. With multiple DBXs and their respective two electron satellite peaks identified, a Haynes Rule plot is developed for the first time for AlN. While high quality AlN homoepitaxy is achievable by metalorganic chemical vapor deposition (MOCVD) growth, current commercially available AlN wafers are typically hindered by the presence of a broad below bandgap optical absorption band centered at 4.7 eV ( 265 nm) with an absorption coefficient of well over 1000 cm-1. Through density functional theory calculations, it is determined that substitutional carbon on the nitrogen site causes this absorption. Further studies reveal a donor-acceptor pair (DAP) recombination between substitutional carbon on the nitrogen site and a nitrogen vacancy with an emission energy of 2.8 eV. Lastly, co-doping bulk AlN with Si or O is explored and found to suppress the unwanted 4.7 eV absorption band. A novel Fermi level control scheme for point defect management during MOCVD growth in III-nitride materials by above bandgap illumination is proposed and implemented for Mg-doped GaN and Si-doped AlGaN materials as a proof of concept. The point defect control scheme uses photo-generated minority charge carriers to control the electro-chemical potential of the system and increase the formation energies of electrically charged compensating point defects. The result is a lower incorporation of compensating point

  10. WOW: light print, light propel, light point

    DEFF Research Database (Denmark)

    Glückstad, Jesper; Bañas, Andrew Rafael; Aabo, Thomas

    2012-01-01

    anywhere in a sample at any orientation using real-time 3D optical micromanipulation with six degrees of freedom. One of the key aspects of our demonstrated WOWs is the change in direction of in-coupled light and the marked increase in numerical aperture of the out-coupled light. Hence, each light...... propelled WOW can tap from a relatively broad incident beam and generate a much more tightly confined light at its tip. The presentation contains both numerical simulations related to the propagation of light through a WOW and preliminary experimental demonstrations on our BioPhotonics Workstation...

  11. Diffuse scattering from crystals with point defects

    International Nuclear Information System (INIS)

    Andrushevsky, N.M.; Shchedrin, B.M.; Simonov, V.I.; Malakhova, L.F.

    2002-01-01

    The analytical expressions for calculating the intensities of X-ray diffuse scattering from a crystal of finite dimensions and monatomic substitutional, interstitial, or vacancy-type point defects have been derived. The method for the determination of the three-dimensional structure by experimental diffuse-scattering data from crystals with point defects having various concentrations is discussed and corresponding numerical algorithms are suggested

  12. WOW: light print, light propel, light point

    Science.gov (United States)

    Glückstad, Jesper; Bañas, Andrew; Aabo, Thomas; Palima, Darwin

    2012-10-01

    We are presenting so-called Wave-guided Optical Waveguides (WOWs) fabricated by two-photon polymerization and capable of being optically manipulated into any arbitrary orientation. By integrating optical waveguides into the structures we have created freestanding waveguides which can be positioned anywhere in a sample at any orientation using real-time 3D optical micromanipulation with six degrees of freedom. One of the key aspects of our demonstrated WOWs is the change in direction of in-coupled light and the marked increase in numerical aperture of the out-coupled light. Hence, each light propelled WOW can tap from a relatively broad incident beam and generate a much more tightly confined light at its tip. The presentation contains both numerical simulations related to the propagation of light through a WOW and preliminary experimental demonstrations on our BioPhotonics Workstation. In a broader context, this research shows that optically trapped micro-fabricated structures can potentially help bridge the diffraction barrier. This structure-mediated paradigm may be carried forward to open new possibilities for exploiting beams from far-field optics down to the sub-wavelength domain.

  13. Point defects dynamics in a stress field

    International Nuclear Information System (INIS)

    Smetniansky de De Grande, Nelida.

    1989-01-01

    The dependence of anisotropic defect diffusion on stress is studied for a hexagonal close packed (hcp) material under irradiation and uniaxially stressed. The diffusion is described as a discrete process of thermally activated jumps. It is shown that the presence of an external stress field enhances the intrinsic anisotropic diffusion, being this variation determined by the defect dipole tensors' symmetry in the equilibrium and saddle point configurations. Also, the point defect diffusion equations to sinks, like edge dislocations and spherical cavities, are solved and the sink strengths are calculated. The conclusion is that the dynamics of the interaction between defects and sinks is controlled by the changes in diffusivity induced by stress fields. (Author) [es

  14. Point defect relaxation volumes for copper

    International Nuclear Information System (INIS)

    Miller, K.M.

    1979-11-01

    The methods used for the determination of point defect relaxation volumes are discussed and it is shown that a previous interatomic potential derived for copper is inaccurate and results obtained using it are invalid. A new interatomic potential has been produced for copper and a computer simulation of point and planar defects carried out. A vacancy relaxation volume of -0.33 atomic volumes has been found with interstitial values in the range 1.7 to 2.0 atomic volumes. It is shown that these values in current theories of irradiation induced swelling lead to an anomalously high value for dislocation bias compared with that determined experimentally. (author)

  15. Vortex pinning by point defect in superconductors

    International Nuclear Information System (INIS)

    Liao Hongyin; Zhou Shiping; Du Haochen

    2003-01-01

    We apply the periodic time-dependent Ginzburg-Landau model to study vortex distribution in type-II superconductors with a point-like defect and square pinning array. A defect site will pin vortices, and a periodic pinning array with right geometric parameters, which can be any form designed in advance, shapes the vortex pattern as external magnetic field varies. The maximum length over which an attractive interaction between a pinning centre and a vortex extends is estimated to be about 6.0ξ. We also derive spatial distribution expressions for the order parameter, vector potential, magnetic field and supercurrent induced by a point defect. Theoretical results and numerical simulations are compared with each other and they are consistent

  16. Electronic structure of point defects in semiconductors

    International Nuclear Information System (INIS)

    Bruneval, Fabien

    2014-01-01

    This 'Habilitation a diriger des Recherches' memoir presents most of my scientific activities during the past 7 years, in the field of electronic structure calculations of defects in solids. Point defects (vacancies, interstitials, impurities) in functional materials are a key parameter to determine if these materials will actually fill the role they have been assigned or not. Indeed, the presence of defects cannot be avoided when the temperature is increased or when the material is subjected to external stresses, such as irradiation in the nuclear reactors and in artificial satellites with solar radiations. However, in many cases, defects are introduced in the materials on purpose to tune the electronic transport, optical or even magnetic properties. This procedure is called the doping of semiconductors, which is the foundation technique for transistors, diodes, or photovoltaic cells. However, doping is not always straightforward and unexpected features may occur, such as doping asymmetry or Fermi level pinning, which can only be explained by complex phenomena involving different types of defects or complexes of defects. In this context, the calculations of electronic structure ab initio is an ideal tool to complement the experimental observations, to gain the understanding of phenomena at the atomic level, and even to predict the properties of defects. The power of the ab initio calculations comes from their ability to describe any system of electrons and nuclei without any specific adjustment. But although there is a strong need for numerical simulations in this field, the ab initio calculations for defects are still under development as of today. The work presented in this memoir summarizes my contributions to methodological developments on this subject. These developments have followed two main tracks. The first topic is the better understanding of the unavoidable finite size effects. Indeed, defects in semiconductors or insulators are generally present in

  17. Point defects and transport properties in carbides

    International Nuclear Information System (INIS)

    Matzke, Hj.

    1984-01-01

    Carbides of transition metals and of actinides are interesting and technologically important. The transition-metal carbides (or carbonitrides) are extensively being used as hard materials and some of them are of great interest because of the high transition temperature for superconductivity, e.g. 17 K for Nb(C,N). Actinide carbides and carbonitrides, (U,Pu)C and (U,Pu)(C,N) are being considered as promising advanced fuels for liquid metal cooled fast breeder nuclear reactors. Basic interest exists in all these materials because of their high melting points (e.g. 4250 K for TaC) and the unusually broad range of homogeneity of nonstoichiometric compositions (e.g. from UCsub(0.9) to UCsub(1.9) at 2500 K). Interaction of point defects to clusters and short-range ordering have recently been studied with elastic neutron diffraction and diffuse scattering techniques, and calculations of energies of formation and interaction of point defects became available for selected carbides. Diffusion measurements also exist for a number of carbides, in particular for the actinide carbides. The existing knowledge is discussed and summarized with emphasis on informative examples of particular technological relevance. (Auth.)

  18. Study of point defects in bismuth

    International Nuclear Information System (INIS)

    Bois, P.

    1987-03-01

    Single crystalline samples of bismuth, pure and n or p - doped by adding tellurium or tin, were electron irradiated at low temperature (4.2 K and 20 K). In the energy range 0.7 - 2.5 MeV, a displacement threshold energy of 13 eV and an athermal recombination volume of 150 atomic volumes were determined. Joint measurements of resistivity, magnetotransport and positron annihilation enabled to precised the nature of the annealing stages: 40-50 K, free migration of interstitials; 90-120 K long range migration of vacancy. Point defects have according to their nature a different effect on the electronic properties of bismuth: isolated Frenkel pairs are globally donnors with a charge of + 0.16 e- and the vacancy is donnor, which seems to attribute to it a negative formation volume. A simple model with non-deformating bands is no longer sufficient to explain the behaviour under irradiation: one has to take into account an acceptor level with a charge of - 0,27 e-, linked to the cascade-type defects and resonating with the valence band. It's position in the band overlap and it's width (8 meV) could be precised. In first approximation this coupling with less mobile carriers does not affect the simple additive rule which exists for relaxation times. Some yet obscure magnetic properties seem to be linked to this defect level [fr

  19. Weyl geometry and the nonlinear mechanics of distributed point defects

    KAUST Repository

    Yavari, A.; Goriely, A.

    2012-01-01

    The residual stress field of a nonlinear elastic solid with a spherically symmetric distribution of point defects is obtained explicitly using methods from differential geometry. The material manifold of a solid with distributed point defects

  20. Photoluminescence as a tool for characterizing point defects in semiconductors

    Science.gov (United States)

    Reshchikov, Michael

    2012-02-01

    Photoluminescence is one of the most powerful tools used to study optically-active point defects in semiconductors, especially in wide-bandgap materials. Gallium nitride (GaN) and zinc oxide (ZnO) have attracted considerable attention in the last two decades due to their prospects in optoelectronics applications, including blue and ultraviolet light-emitting devices. However, in spite of many years of extensive studies and a great number of publications on photoluminescence from GaN and ZnO, only a few defect-related luminescence bands are reliably identified. Among them are the Zn-related blue band in GaN, Cu-related green band and Li-related orange band in ZnO. Numerous suggestions for the identification of other luminescence bands, such as the yellow band in GaN, or green and yellow bands in ZnO, do not stand up under scrutiny. In these conditions, it is important to classify the defect-related luminescence bands and find their unique characteristics. In this presentation, we will review the origin of the major luminescence bands in GaN and ZnO. Through simulations of the temperature and excitation intensity dependences of photoluminescence and by employing phenomenological models we are able to obtain important characteristics of point defects such as carrier capture cross-sections for defects, concentrations of defects, and their charge states. These models are also used to find the absolute internal quantum efficiency of photoluminescence and obtain information about nonradiative defects. Results from photoluminescence measurements will be compared with results of the first-principle calculations, as well as with the experimental data obtained by other techniques such as positron annihilation spectroscopy, deep-level transient spectroscopy, and secondary ion mass spectrometry.

  1. Metastable light induced defects in pentacene

    Energy Technology Data Exchange (ETDEWEB)

    Liguori, R.; Aprano, S.; Rubino, A. [Department of Industrial Engineering (DIIn), University of Salerno, via Giovanni Paolo II, 132, 84084 Fisciano (Italy)

    2014-02-21

    In this study we analyzed one of the environmental factors that could affect organic materials. Pentacene thin film samples were fabricated and the degradation of their electrical characteristics was measured when the devices were exposed to ultraviolet light irradiation. The results have been reported in terms of a trap density model, which provides a description of the dynamics of light induced electrically active defects in an organic semiconductor.

  2. Multiscale Modeling of Point and Line Defects in Cubic Lattices

    National Research Council Canada - National Science Library

    Chung, P. W; Clayton, J. D

    2007-01-01

    .... This multiscale theory explicitly captures heterogeneity in microscopic atomic motion in crystalline materials, attributed, for example, to the presence of various point and line lattice defects...

  3. Ab initio study of point defects in magnesium oxide

    International Nuclear Information System (INIS)

    Gilbert, C. A.; Kenny, S. D.; Smith, R.; Sanville, E.

    2007-01-01

    Energetics of a variety of point defects in MgO have been considered from an ab initio perspective using density functional theory. The considered defects are isolated Schottky and Frenkel defects and interstitial pairs, along with a number of Schottky defects and di-interstitials. Comparisons were made between the density functional theory results and results obtained from empirical potential simulations and these generally showed good agreement. Both methodologies predicted the first nearest neighbor Schottky defects to be the most energetically favorable of the considered Schottky defects and that the first, second, and fifth nearest neighbor di-interstitials were of similar energy and were favored over the other di-interstitial configurations. Relaxed structures of the defects were analyzed, which showed that empirical potential simulations were accurately predicting the displacements of atoms surrounding di-interstitials, but were overestimating O atom displacement for Schottky defects. Transition barriers were computed for the defects using the nudged elastic band method. Vacancies and Schottky defects were found to have relatively high energy barriers, the majority of which were over 2 eV, in agreement with conclusions reached using empirical potentials. The lowest barriers for di-interstitial transitions were found to be for migration into a first nearest neighbor configuration. Charges were calculated using a Bader analysis and this found negligible charge transfer during the defect transitions and only small changes in the charges on atoms surrounding defects, indicating why fixed charge models work as well as they do

  4. Creation of point defects in superconductors. A short review

    International Nuclear Information System (INIS)

    Quere, Yves; Rullier-Albenque, Florence.

    1981-11-01

    Many experiments have been published concerning the radiation damage in superconductors, but relatively few about the mechanisms of defect creation. A short review is presented of what is known on point defect creation in superconductors either by cold-work or by irradiation

  5. A computational framework for automation of point defect calculations

    International Nuclear Information System (INIS)

    Goyal, Anuj; Gorai, Prashun; Peng, Haowei

    2017-01-01

    We have developed a complete and rigorously validated open-source Python framework to automate point defect calculations using density functional theory. Furthermore, the framework provides an effective and efficient method for defect structure generation, and creation of simple yet customizable workflows to analyze defect calculations. This package provides the capability to compute widely-accepted correction schemes to overcome finite-size effects, including (1) potential alignment, (2) image-charge correction, and (3) band filling correction to shallow defects. Using Si, ZnO and In2O3 as test examples, we demonstrate the package capabilities and validate the methodology.

  6. Point-defect migration into an infinitesimal dislocation loop

    International Nuclear Information System (INIS)

    Woo, C.H.

    1981-11-01

    Point-defect migration into an infinitesimal dislocation loop in an isotropic linear elastic medium is described. Particular care has been taken to include the effects of the saddle-point shape anisotropy of the point defect. Expressions for the reaction radii and the bias are derived, both in the presence and absence of an external applied stress. These are found to depend on intrinsic parameters, such as the loop strength, the loop nature (vacancy or interstitial), the relaxation volume, the saddle-point shape, and extrinsic parameters, such as the magnitude and direction of the external stress, and the temperature. The implications of the results are discussed

  7. On the influence of extrinsic point defects on irradiation-induced point-defect distributions in silicon

    International Nuclear Information System (INIS)

    Vanhellemont, J.; Romano-Rodriguez, A.

    1994-01-01

    A semi-quantitative model describing the influence of interfaces and stress fields on {113}-defect generation in silicon during 1-MeV electron irradiation, is further developed to take into account also the role of extrinsic point defects. It is shown that the observed distribution of {113}-defects in high-flux electron-irradiated silicon and its dependence on irradiation temperature and dopant concentration can be understood by taking into account not only the influence of the surfaces and interfaces as sinks for intrinsic point defects but also the thermal stability of the bulk sinks for intrinsic point defects. In heavily doped silicon the bulk sinks are related with pairing reactions of the dopant atoms with the generated intrinsic point defects or related with enhanced recombination of vacancies and self-interstitials at extrinsic point defects. The obtained theoretical results are correlated with published experimental data on boron-and phosphorus-doped silicon and are illustrated with observations obtained by irradiating cross-section transmission electron microscopy samples of wafer with highly doped surface layers. (orig.)

  8. Point defect weakened thermal contraction in monolayer graphene.

    Science.gov (United States)

    Zha, Xian-Hu; Zhang, Rui-Qin; Lin, Zijing

    2014-08-14

    We investigate the thermal expansion behaviors of monolayer graphene and three configurations of graphene with point defects, namely the replacement of one carbon atom with a boron or nitrogen atom, or of two neighboring carbon atoms by boron-nitrogen atoms, based on calculations using first-principles density functional theory. It is found that the thermal contraction of monolayer graphene is significantly decreased by point defects. Moreover, the corresponding temperature for negative linear thermal expansion coefficient with the maximum absolute value is reduced. The cause is determined to be point defects that enhance the mechanical strength of graphene and then reduce the amplitude and phonon frequency of the out-of-plane acoustic vibration mode. Such defect weakening of graphene thermal contraction will be useful in nanotechnology to diminish the mismatching or strain between the graphene and its substrate.

  9. Cellular structure formed by ion-implantation-induced point defect

    International Nuclear Information System (INIS)

    Nitta, N.; Taniwaki, M.; Hayashi, Y.; Yoshiie, T.

    2006-01-01

    The authors have found that a cellular defect structure is formed on the surface of Sn + ion implanted GaSb at a low temperature and proposed its formation mechanism based on the movement of the induced point defects. This research was carried out in order to examine the validity of the mechanism by clarifying the effect of the mobility of the point defects on the defect formation. The defect structure on the GaSb surfaces implanted at cryogenic temperature and room temperature was investigated by scanning electron microscopy (SEM) and cross-sectional transmission electron microscopy (TEM) observation. In the sample implanted at room temperature, the sponge-like structure (a pileup of voids) was formed and the cellular structure, as observed at a low temperature, did not develop. This behavior was explained by the high mobility of the vacancies during implantation at room temperature, and the proposed idea that the defect formation process is dominated by the induced point defects was confirmed

  10. Handheld White Light Interferometer for Measuring Defect Depth in Windows

    Science.gov (United States)

    Youngquist, Robert; Simmons, Stephen; Cox, Robert

    2010-01-01

    Accurate quantification of defects (scratches and impacts) is vital to the certification of flight hardware and other critical components. The amount of damage to a particular component contributes to the performance, reliability, and safety of a system, which ultimately affects the success or failure of a mission or test. The launch-commit criteria on a Space Shuttle Orbiter window are governed by the depth of the defects that are identified by a visual inspection. This measurement of a defect is not easy to obtain given the environment, size of the defect, and location of the window(s). The determination of depth has typically been performed by taking a mold impression and measuring the impression with an optical profiling instrument. Another method of obtaining an estimate of the depth is by using a refocus microscope. To use a refocus microscope, the surface of the glass and bottom of the defect are, in turn, brought into focus by the operator. The amount of movement between the two points corresponds to the depth of the defect. The refocus microscope requires a skilled operator and has been proven to be unreliable when used on Orbiter windows. White light interferometry was chosen as a candidate to replace the refocus microscope. The White Light Interferometer (WLI) was developed to replace the refocus microscope as the instrument used for measuring the depth of defects in Orbiter windows. The WLI consists of a broadband illumination source, interferometer, detector, motion control, displacement sensor, mechanical housing, and support electronics. The illumination source for the WLI is typically a visible light emitting diode (LED) or a near-infrared superluminescent diode (SLD) with power levels of less than a milliwatt. The interferometer is a Michelson configuration consisting of a 1-in. (2.5-cm) cube beam splitter, a 0.5-in. (1.3-cm) optical window as a movable leg (used to closely match the return intensity of the fixed leg from the window), and a

  11. Hardening in AlN induced by point defects

    International Nuclear Information System (INIS)

    Suematsu, H.; Mitchell, T.E.; Iseki, T.; Yano, T.

    1991-01-01

    Pressureless-sintered AIN was neutron irradiated and the hardness change was examined by Vickers indentation. The hardness was increased by irradiation. When the samples were annealed at high temperature, the hardness gradually decreased. Length was also found to increase and to change in the same way as the hardness. A considerable density of dislocation loops still remained, even after the hardness completely recovered to the value of the unirradiated sample. Thus, it is concluded that the hardening in AIN is caused by isolated point defects and small clusters of point defects, rather than by dislocation loops. Hardness was found to increase in proportion to the length change. If the length change is assumed to be proportional to the point defect density, then the curve could be fitted qualitatively to that predicted by models of solution hardening in metals. Furthermore, the curves for three samples irradiated at different temperatures and fluences are identical. There should be different kinds of defect clusters in samples irradiated at different conditions, e.g., the fraction of single point defects is the highest in the sample irradiated at the lowest temperature. Thus, hardening is insensitive to the kind of defects remaining in the sample and is influenced only by those which contribute to length change

  12. Elastic dipoles of point defects from atomistic simulations

    Science.gov (United States)

    Varvenne, Céline; Clouet, Emmanuel

    2017-12-01

    The interaction of point defects with an external stress field or with other structural defects is usually well described within continuum elasticity by the elastic dipole approximation. Extraction of the elastic dipoles from atomistic simulations is therefore a fundamental step to connect an atomistic description of the defect with continuum models. This can be done either by a fitting of the point-defect displacement field, by a summation of the Kanzaki forces, or by a linking equation to the residual stress. We perform here a detailed comparison of these different available methods to extract elastic dipoles, and show that they all lead to the same values when the supercell of the atomistic simulations is large enough and when the anharmonic region around the point defect is correctly handled. But, for small simulation cells compatible with ab initio calculations, only the definition through the residual stress appears tractable. The approach is illustrated by considering various point defects (vacancy, self-interstitial, and hydrogen solute atom) in zirconium, using both empirical potentials and ab initio calculations.

  13. Point defect balance in epitaxial GaSb

    International Nuclear Information System (INIS)

    Segercrantz, N.; Slotte, J.; Makkonen, I.; Kujala, J.; Tuomisto, F.; Song, Y.; Wang, S.

    2014-01-01

    Positron annihilation spectroscopy in both conventional and coincidence Doppler broadening mode is used for studying the effect of growth conditions on the point defect balance in GaSb:Bi epitaxial layers grown by molecular beam epitaxy. Positron annihilation characteristics in GaSb are also calculated using density functional theory and compared to experimental results. We conclude that while the main positron trapping defect in bulk samples is the Ga antisite, the Ga vacancy is the most prominent trap in the samples grown by molecular beam epitaxy. The results suggest that the p–type conductivity is caused by different defects in GaSb grown with different methods.

  14. Point defects and defect clusters examined on the basis of some fundamental experiments

    International Nuclear Information System (INIS)

    Zuppiroli, L.

    1975-01-01

    On progressing from the centre of the defect to the surface the theoretical approach to a point defect passes from electronic theories to elastic theory. Experiments by which the point defect can be observed fall into two categories. Those which detect long-range effects: measurement of dimensional variations in the sample; measurement of the mean crystal parameter variation; elastic X-ray scattering near the nodes of the reciprocal lattice (Huang scattering). Those which detect more local effects: low-temperature resistivity measurement; positron capture and annihilation; local scattering far from the reciprocal lattice nodes. Experiments involving both short and long-range effects can always be found. This is the case for example with the dechanneling of α particles by defects. Certain of the experimental methods quoted above apply also to the study of point defect clusters. These methods are illustrated by some of their most striking results which over the last twenty years have refined our knowledge of point defects and defect clusters: length and crystal parameter measurements; diffuse X-ray scattering; low-temperature resistivity measurements; ion emission microscopy; electron microscopy; elastoresistivity [fr

  15. Point defect engineering strategies to retard phosphorous diffusion in germanium

    KAUST Repository

    Tahini, H. A.; Chroneos, Alexander I.; Grimes, Robin W.; Schwingenschlö gl, Udo; Bracht, Hartmut A.

    2013-01-01

    The diffusion of phosphorous in germanium is very fast, requiring point defect engineering strategies to retard it in support of technological application. Density functional theory corroborated with hybrid density functional calculations are used to investigate the influence of the isovalent codopants tin and hafnium in the migration of phosphorous via the vacancy-mediated diffusion process. The migration energy barriers for phosphorous are increased significantly in the presence of oversized isovalent codopants. Therefore, it is proposed that tin and in particular hafnium codoping are efficient point defect engineering strategies to retard phosphorous migration. © the Owner Societies 2013.

  16. Weyl geometry and the nonlinear mechanics of distributed point defects

    KAUST Repository

    Yavari, A.

    2012-09-05

    The residual stress field of a nonlinear elastic solid with a spherically symmetric distribution of point defects is obtained explicitly using methods from differential geometry. The material manifold of a solid with distributed point defects-where the body is stress-free-is a flat Weyl manifold, i.e. a manifold with an affine connection that has non-metricity with vanishing traceless part, but both its torsion and curvature tensors vanish. Given a spherically symmetric point defect distribution, we construct its Weyl material manifold using the method of Cartan\\'s moving frames. Having the material manifold, the anelasticity problem is transformed to a nonlinear elasticity problem and reduces the problem of computing the residual stresses to finding an embedding into the Euclidean ambient space. In the case of incompressible neo-Hookean solids, we calculate explicitly this residual stress field. We consider the example of a finite ball and a point defect distribution uniform in a smaller ball and vanishing elsewhere. We show that the residual stress field inside the smaller ball is uniform and hydrostatic. We also prove a nonlinear analogue of Eshelby\\'s celebrated inclusion problem for a spherical inclusion in an isotropic incompressible nonlinear solid. © 2012 The Royal Society.

  17. Loop Growth and Point-Defect Profiles during HVEM Irradiation

    DEFF Research Database (Denmark)

    Leffers, Torben; Singh, Bachu Narain

    1979-01-01

    The point-defect profile in a thin foil is included in the model for the growth of dislocation loops during HVEM irradiation suggested by Kiritani, Yoshida, Takata, and Maehara, and the possible effect of divacancies is discussed. It is found that there is a fairly wide transition range between...

  18. Defect production due to quenching through a multicritical point

    International Nuclear Information System (INIS)

    Divakaran, Uma; Mukherjee, Victor; Dutta, Amit; Sen, Diptiman

    2009-01-01

    We study the generation of defects when a quantum spin system is quenched through a multicritical point by changing a parameter of the Hamiltonian as t/τ, where τ is the characteristic timescale of quenching. We argue that when a quantum system is quenched across a multicritical point, the density of defects (n) in the final state is not necessarily given by the Kibble–Zurek scaling form n∼1/τ dν/(zν+1) , where d is the spatial dimension, and ν and z are respectively the correlation length and dynamical exponent associated with the quantum critical point. We propose a generalized scaling form of the defect density given by n∼1/τ d/(2z 2 ) , where the exponent z 2 determines the behavior of the off-diagonal term of the 2 × 2 Landau–Zener matrix at the multicritical point. This scaling is valid not only at a multicritical point but also at an ordinary critical point

  19. Light-induced defect creation in hydrogenated polymorphous silicon

    International Nuclear Information System (INIS)

    Morigaki, K.; Takeda, K.; Hikita, H.; Roca i Cabarrocas, P.

    2005-01-01

    Light-induced defect creation in hydrogenated polymorphous silicon (pm-Si:H) is investigated from electron spin resonance measurements and is compared with that in hydrogenated amorphous silicon (a-Si:H). Light-induced defect creation occurs at room temperature similarly for both types of films prepared at 250 deg. C. Thermal annealing of light-induced defects is also investigated as a function of temperature. Different behaviours of annealing characteristics for pm-Si:H from those for a-Si:H are observed and discussed. In particular, we observed a decrease of the light-induced defect creation efficiency with repeated light-soaking-annealing cycles and discuss it with respect to the hydrogen bonding in pm-Si:H films

  20. Irradiation damage in boron carbide: point defects, clusters and helium bubbles

    International Nuclear Information System (INIS)

    Stoto, T.; Zuppiroli, L.

    1986-06-01

    Boron carbide is a refractory hard and light material of interest in nuclear technology (fission and also fusion). Transmission electron microscopy was used to examine the properties of radiation induced damage. Firstly, the production of point defects and their clustering was studied in samples irradiated by 1 MeV electron in a high voltage electron microscope at selected temperatures from 12 K to 1000 K. Secondly, conventional transmission electron microscopy was used to understand the production of helium bubbles in neutron irradiated boron carbide and their role in the generation of microcracks. Finally, the interaction between point defects and bubbles was also examined

  1. Recombination via point defects and their complexes in solar silicon

    Energy Technology Data Exchange (ETDEWEB)

    Peaker, A.R.; Markevich, V.P.; Hamilton, B. [Photon Science Institute, University of Manchester, Manchester M13 9PL (United Kingdom); Parada, G.; Dudas, A.; Pap, A. [Semilab, 2 Prielle Kornelia Str, 1117 Budapest (Hungary); Don, E. [Semimetrics, PO Box 36, Kings Langley, Herts WD4 9WB (United Kingdom); Lim, B.; Schmidt, J. [Institute for Solar Energy Research (ISFH) Hamlen, 31860 Emmerthal (Germany); Yu, L.; Yoon, Y.; Rozgonyi, G. [Department of Materials Science and Engineering, North Carolina State University, Raleigh, NC 27695-7907 (United States)

    2012-10-15

    Electronic grade Czochralski and float zone silicon in the as grown state have a very low concentration of recombination generation centers (typically <10{sup 10} cm{sup -3}). Consequently, in integrated circuit technologies using such material, electrically active inadvertent impurities and structural defects are rarely detectable. The quest for cheap photovoltaic cells has led to the use of less pure silicon, multi-crystalline material, and low cost processing for solar applications. Cells made in this way have significant extrinsic recombination mechanisms. In this paper we review recombination involving defects and impurities in single crystal and in multi-crystalline solar silicon. Our main techniques for this work are recombination lifetime mapping measurements using microwave detected photoconductivity decay and variants of deep level transient spectroscopy (DLTS). In particular, we use Laplace DLTS to distinguish between isolated point defects, small precipitate complexes and decorated extended defects. We compare the behavior of some common metallic contaminants in solar silicon in relation to their effect on carrier lifetime and cell efficiency. Finally, we consider the role of hydrogen passivation in relation to transition metal contaminants, grain boundaries and dislocations. We conclude that recombination via point defects can be significant but in most multi-crystalline material the dominant recombination path is via decorated dislocation clusters within grains with little contribution to the overall recombination from grain boundaries. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  2. Defect production in nonlinear quench across a quantum critical point.

    Science.gov (United States)

    Sen, Diptiman; Sengupta, K; Mondal, Shreyoshi

    2008-07-04

    We show that the defect density n, for a slow nonlinear power-law quench with a rate tau(-1) and an exponent alpha>0, which takes the system through a critical point characterized by correlation length and dynamical critical exponents nu and z, scales as n approximately tau(-alphanud/(alphaznu+1)) [n approximately (alphag((alpha-1)/alpha)/tau)(nud/(znu+1))] if the quench takes the system across the critical point at time t=0 [t=t(0) not = 0], where g is a nonuniversal constant and d is the system dimension. These scaling laws constitute the first theoretical results for defect production in nonlinear quenches across quantum critical points and reproduce their well-known counterpart for a linear quench (alpha=1) as a special case. We supplement our results with numerical studies of well-known models and suggest experiments to test our theory.

  3. Point defects in thorium nitride: A first-principles study

    Energy Technology Data Exchange (ETDEWEB)

    Pérez Daroca, D., E-mail: pdaroca@tandar.cnea.gov.ar [Gerencia de Investigación y Aplicaciones, Comisión Nacional de Energía Atómica (Argentina); Consejo Nacional de Investigaciones Científicas y Técnicas (Argentina); Llois, A.M. [Gerencia de Investigación y Aplicaciones, Comisión Nacional de Energía Atómica (Argentina); Consejo Nacional de Investigaciones Científicas y Técnicas (Argentina); Mosca, H.O. [Gerencia de Investigación y Aplicaciones, Comisión Nacional de Energía Atómica (Argentina); Instituto de Tecnología Jorge A. Sabato, UNSAM-CNEA (Argentina)

    2016-11-15

    Thorium and its compounds (carbides and nitrides) are being investigated as possible materials to be used as nuclear fuels for Generation-IV reactors. As a first step in the research of these materials under irradiation, we study the formation energies and stability of point defects in thorium nitride by means of first-principles calculations within the framework of density functional theory. We focus on vacancies, interstitials, Frenkel pairs and Schottky defects. We found that N and Th vacancies have almost the same formation energy and that the most energetically favorable defects of all studied in this work are N interstitials. These kind of results for ThN, to the best authors' knowledge, have not been obtained previously, neither experimentally, nor theoretically.

  4. Point defects in thorium nitride: A first-principles study

    International Nuclear Information System (INIS)

    Pérez Daroca, D.; Llois, A.M.; Mosca, H.O.

    2016-01-01

    Thorium and its compounds (carbides and nitrides) are being investigated as possible materials to be used as nuclear fuels for Generation-IV reactors. As a first step in the research of these materials under irradiation, we study the formation energies and stability of point defects in thorium nitride by means of first-principles calculations within the framework of density functional theory. We focus on vacancies, interstitials, Frenkel pairs and Schottky defects. We found that N and Th vacancies have almost the same formation energy and that the most energetically favorable defects of all studied in this work are N interstitials. These kind of results for ThN, to the best authors' knowledge, have not been obtained previously, neither experimentally, nor theoretically.

  5. Point defects in cubic boron nitride after neutron irradiation

    International Nuclear Information System (INIS)

    Atobe, Kozo; Honda, Makoto; Ide, Munetoshi; Yamaji, Hiromichi; Matsukawa, Tokuo; Fukuoka, Noboru; Okada, Moritami; Nakagawa, Masuo.

    1993-01-01

    The production of point defects induced by reactor neutrons and the thermal behavior of defects in sintered cubic boron nitride are investigated using the optical absorption and electron spin resonance (ESR) methods. A strong structureless absorption over the visible region was observed after fast neutron irradiation to a dose of 5.3 x 10 16 n/cm 2 (E > 0.1 MeV) at 25 K. This specimen also shows an ESR signal with g-value 2.006 ± 0.001, which can be tentatively identified as an electron trapped in a nitrogen vacancy. On examination of the thermal decay of the signal, the activation energy for recovery of the defects was determined to be about 1.79 eV. (author)

  6. Fatigue crack initiation – The role of point defects

    Czech Academy of Sciences Publication Activity Database

    Polák, Jaroslav; Man, Jiří

    2014-01-01

    Roč. 65, AUG (2014), s. 18-27 ISSN 0142-1123 R&D Projects: GA ČR(CZ) GAP108/10/2371; GA ČR(CZ) GA13-23652S Institutional support: RVO:68081723 Keywords : Fatigue crack initiation * Point defects * Persistent slip band * Intrusion * Extrusion Subject RIV: JL - Materials Fatigue, Friction Mechanics Impact factor: 2.275, year: 2014

  7. Zirconium - ab initio modelling of point defects diffusion

    International Nuclear Information System (INIS)

    Gasca, Petrica

    2010-01-01

    Zirconium is the main element of the cladding found in pressurized water reactors, under an alloy form. Under irradiation, the cladding elongate significantly, phenomena attributed to the vacancy dislocation loops growth in the basal planes of the hexagonal compact structure. The understanding of the atomic scale mechanisms originating this process motivated this work. Using the ab initio atomic modeling technique we studied the structure and mobility of point defects in Zirconium. This led us to find four interstitial point defects with formation energies in an interval of 0.11 eV. The migration paths study allowed the discovery of activation energies, used as entry parameters for a kinetic Monte Carlo code. This code was developed for calculating the diffusion coefficient of the interstitial point defect. Our results suggest a migration parallel to the basal plane twice as fast as one parallel to the c direction, with an activation energy of 0.08 eV, independent of the direction. The vacancy diffusion coefficient, estimated with a two-jump model, is also anisotropic, with a faster process in the basal planes than perpendicular to them. Hydrogen influence on the vacancy dislocation loops nucleation was also studied, due to recent experimental observations of cladding growth acceleration in the presence of this element [fr

  8. Unidirectional reflectionless light propagation at exceptional points

    Directory of Open Access Journals (Sweden)

    Huang Yin

    2017-05-01

    Full Text Available In this paper, we provide a comprehensive review of unidirectional reflectionless light propagation in photonic devices at exceptional points (EPs. EPs, which are branch point singularities of the spectrum, associated with the coalescence of both eigenvalues and corresponding eigenstates, lead to interesting phenomena, such as level repulsion and crossing, bifurcation, chaos, and phase transitions in open quantum systems described by non-Hermitian Hamiltonians. Recently, it was shown that judiciously designed photonic synthetic matters could mimic the complex non-Hermitian Hamiltonians in quantum mechanics and realize unidirectional reflection at optical EPs. Unidirectional reflectionlessness is of great interest for optical invisibility. Achieving unidirectional reflectionless light propagation could also be potentially important for developing optical devices, such as optical network analyzers. Here, we discuss unidirectional reflectionlessness at EPs in both parity-time (PT-symmetric and non-PT-symmetric optical systems. We also provide an outlook on possible future directions in this field.

  9. The role of point defects and defect complexes in silicon device processing. Summary report and papers

    Energy Technology Data Exchange (ETDEWEB)

    Sopori, B.; Tan, T.Y.

    1994-08-01

    This report is a summary of a workshop hold on August 24--26, 1992. Session 1 of the conference discussed characteristics of various commercial photovoltaic silicon substrates, the nature of impurities and defects in them, and how they are related to the material growth. Session 2 on point defects reviewed the capabilities of theoretical approaches to determine equilibrium structure of defects in the silicon lattice arising from transitional metal impurities and hydrogen. Session 3 was devoted to a discussion of the surface photovoltaic method for characterizing bulk wafer lifetimes, and to detailed studies on the effectiveness of various gettering operations on reducing the deleterious effects of transition metals. Papers presented at the conference are also included in this summary report.

  10. First-principles study of point defects in thorium carbide

    International Nuclear Information System (INIS)

    Pérez Daroca, D.; Jaroszewicz, S.; Llois, A.M.; Mosca, H.O.

    2014-01-01

    Thorium-based materials are currently being investigated in relation with their potential utilization in Generation-IV reactors as nuclear fuels. One of the most important issues to be studied is their behavior under irradiation. A first approach to this goal is the study of point defects. By means of first-principles calculations within the framework of density functional theory, we study the stability and formation energies of vacancies, interstitials and Frenkel pairs in thorium carbide. We find that C isolated vacancies are the most likely defects, while C interstitials are energetically favored as compared to Th ones. These kind of results for ThC, to the best authors’ knowledge, have not been obtained previously, neither experimentally, nor theoretically. For this reason, we compare with results on other compounds with the same NaCl-type structure

  11. First-principles study of point defects in thorium carbide

    Energy Technology Data Exchange (ETDEWEB)

    Pérez Daroca, D., E-mail: pdaroca@tandar.cnea.gov.ar [Gerencia de Investigación y Aplicaciones, Comisión Nacional de Energía Atómica, Av. General Paz 1499, (1650) San Martin, Buenos Aires (Argentina); Consejo Nacional de Investigaciones Científicas y Técnicas, (1033) Buenos Aires (Argentina); Jaroszewicz, S. [Gerencia de Investigación y Aplicaciones, Comisión Nacional de Energía Atómica, Av. General Paz 1499, (1650) San Martin, Buenos Aires (Argentina); Instituto de Tecnología Jorge A. Sabato, UNSAM-CNEA, Av. General Paz 1499, (1650) San Martin, Buenos Aires (Argentina); Llois, A.M. [Gerencia de Investigación y Aplicaciones, Comisión Nacional de Energía Atómica, Av. General Paz 1499, (1650) San Martin, Buenos Aires (Argentina); Consejo Nacional de Investigaciones Científicas y Técnicas, (1033) Buenos Aires (Argentina); Mosca, H.O. [Gerencia de Investigación y Aplicaciones, Comisión Nacional de Energía Atómica, Av. General Paz 1499, (1650) San Martin, Buenos Aires (Argentina); Instituto de Tecnología Jorge A. Sabato, UNSAM-CNEA, Av. General Paz 1499, (1650) San Martin, Buenos Aires (Argentina)

    2014-11-15

    Thorium-based materials are currently being investigated in relation with their potential utilization in Generation-IV reactors as nuclear fuels. One of the most important issues to be studied is their behavior under irradiation. A first approach to this goal is the study of point defects. By means of first-principles calculations within the framework of density functional theory, we study the stability and formation energies of vacancies, interstitials and Frenkel pairs in thorium carbide. We find that C isolated vacancies are the most likely defects, while C interstitials are energetically favored as compared to Th ones. These kind of results for ThC, to the best authors’ knowledge, have not been obtained previously, neither experimentally, nor theoretically. For this reason, we compare with results on other compounds with the same NaCl-type structure.

  12. Mobility of point defects induced by subthreshold collisions

    International Nuclear Information System (INIS)

    Tenenbaum, A.; Nguyen Van Doan

    1976-01-01

    The effect of thermal vibrations on atomic collision focusing was studied with the view to demonstrate that such collisions may induce point defect migration through the crystal. The persistence of the phenomenon of focused atomic collisions in a crystal at thermal equilibrium was studied, using a computer simulation by the Molecular Dynamics Technique. In the temperature range (0 to 500K) matter and momentum transfers in c.f.c. crystals proceed mainly by focused collisions along and directions. Their contribution to the induced migration of radiation defects was determined from the threshold energy of every primary able to be involved in the process. As an example, the quantitative model is applied to electron irradiation along the crystallographic directions [fr

  13. Influence of an uniaxial stress on point defects

    International Nuclear Information System (INIS)

    Beuneu, B.

    1984-03-01

    We study two effects of an elastic external uniaxial stress on point defects (created by electron irradiation): 1.- We measure the linear variation of their resistivity rhosub(D) under the elastic strain epsilon in Copper. It gives the specific elastoresistivity (E.R.S.) chisub(D)=delta rhosub(D)/epsilon. With the help of the results of VON STEBUT (fast neutrons) we show that the E.R.S. is characteristic of a defect and of its configuration. 2.- By means of resistivity measurements in molybdenum, we observe a paraelastic phenomenon. It is thermally activated (νsub(0) approximately= 10 12 s -1 and E approximately= 72 meV) and we attribute it to the reorientation of a dumbell interstitial under the uniaxial stress. The resistivity of this dumbbell is higher along its axis than perpendicularly to it. We have completed these results with some configuration energy calculations for the dumbbell and with a simple kinetic model [fr

  14. Point to point multispectral light projection applied to cultural heritage

    Science.gov (United States)

    Vázquez, D.; Alvarez, A.; Canabal, H.; Garcia, A.; Mayorga, S.; Muro, C.; Galan, T.

    2017-09-01

    Use of new of light sources based on LED technology should allow the develop of systems that combine conservation and exhibition requirements and allow to make these art goods available to the next generations according to sustainability principles. The goal of this work is to develop light systems and sources with an optimized spectral distribution for each specific point of the art piece. This optimization process implies to maximize the color fidelity reproduction and the same time to minimize the photochemical damage. Perceived color under these sources will be similar (metameric) to technical requirements given by the restoration team uncharged of the conservation and exhibition of the goods of art. Depending of the fragility of the exposed art objects (i.e. spectral responsivity of the material) the irradiance must be kept under a critical level. Therefore, it is necessary to develop a mathematical model that simulates with enough accuracy both the visual effect of the illumination and the photochemical impact of the radiation. Spectral reflectance of a reference painting The mathematical model is based on a merit function that optimized the individual intensity of the LED-light sources taking into account the damage function of the material and color space coordinates. Moreover the algorithm used weights for damage and color fidelity in order to adapt the model to a specific museal application. In this work we show a sample of this technology applied to a picture of Sorolla (1863-1923) an important Spanish painter title "woman walking at the beach".

  15. High angle grain boundaries as sources or sinks for point defects

    Energy Technology Data Exchange (ETDEWEB)

    Balluffi, R.W.

    1979-09-01

    A secondary grain boundary dislocation climb model for high angle grain boundaries as sources/sinks for point defects is described in the light of recent advances in our knowledge of grain boundary structure. Experimental results are reviewed and are then compared with the expected behavior of the proposed model. Reasonably good consistency is found at the level of our present understanding of the subject. However, several gaps in our present knowledge still exist, and these are identified and discussed briefly.

  16. Mathematical simulation of point defect interaction with grain boundaries

    International Nuclear Information System (INIS)

    Bojko, V.S.

    1987-01-01

    Published works, where the interaction of point defects and grain boundaries was studied by mathematical simulation methods, have been analysed. Energetics of the vacancy formation both in nuclei of large-angle special grain boundaries and in lattice regions adjoining them has been considered. The data obtained permit to explain specific features of grain-boundary diffusion processes. Results of mathematical simulation of the interaction of impurity atoms and boundaries have been considered. Specific features of the helium atom interaction with large-angle grain boundaries are analysed as well

  17. Light-induced defects in hybrid lead halide perovskite

    Science.gov (United States)

    Sharia, Onise; Schneider, William

    One of the main challenges facing organohalide perovskites for solar application is stability. Solar cells must last decades to be economically viable alternatives to traditional energy sources. While some causes of instability can be avoided through engineering, light-induced defects can be fundamentally limiting factor for practical application of the material. Light creates large numbers of electron and hole pairs that can contribute to degradation processes. Using ab initio theoretical methods, we systematically explore first steps of light induced defect formation in methyl ammonium lead iodide, MAPbI3. In particular, we study charged and neutral Frenkel pair formation involving Pb and I atoms. We find that most of the defects, except negatively charged Pb Frenkel pairs, are reversible, and thus most do not lead to degradation. Negative Pb defects create a mid-gap state and localize the conduction band electron. A minimum energy path study shows that, once the first defect is created, Pb atoms migrate relatively fast. The defects have two detrimental effects on the material. First, they create charge traps below the conduction band. Second, they can lead to degradation of the material by forming Pb clusters.

  18. Effect of saddle-point anisotropy on point-defect drift-diffusion into straight dislocations

    International Nuclear Information System (INIS)

    Skinner, B.C.; Woo, C.H.

    1983-02-01

    Effects on point-defect drift-diffusion in the strain fields of edge or screw dislocations, due to the anisotropy of the point defect in its saddle-point configuration, are investigated. Expressions for sink strength and bias that include the saddle-point shape effect are derived, both in the absence and presence of an externally applied stress. These are found to depend on intrinsic parameters such as the relaxation volume and the saddle-point shape of the point defects, and extrinsic parameters such as temperature and the magnitude and direction of the externally applied stress with respect to the line direction and Burgers vector direction of the dislocation. The theory is applied to fcc copper and bcc iron. It is found that screw dislocations are biased sinks and that the stress-induced bias differential for the edge dislocations depends much more on the line direction than the Burgers vector direction. Comparison with the stress-induced bias differential due to the usual SIPA effect is made. It is found that the present effect causes a bias differential that is more than an order of magnitude larger

  19. Point Defects in Binary Laves-Phase Alloys

    Energy Technology Data Exchange (ETDEWEB)

    Liaw, P.K.; Liu, C.T.; Pike, L.M.; Zhu, J.H.

    1999-01-11

    Point defects in the binary C15 NbCrQ and NbCoz, and C 14 NbFe2 systems on both sides of stoichiometry were studied by both bulk density and X-ray Iattiee parameter measurements. It was found that the vacancy concentrations in these systems after quenching from 1000"C are essentially zero. The constitutional defects on both sides of stoichiometry for these systems were found to be of the anti-site type in comparison with the model predictions. Thermal vacancies exhibiting a maximum at the stoichiometric composition were obtained in NbCr2 Laves phase alloys after quenching from 1400"C. However, there are essentially no thermal vacancies in NbFe2 alloys after quenching from 1300oC. Anti-site hardening was found on both sides of stoichiometry for all the tie Laves phase systems studied, while the thermal vacancies in NbCr2 alloys quenched from 1400'C were found to soften the Laves phase. The anti-site hardening of the Laves phases is similar to that of the B2 compounds and the thermal vacancy softening is unique to the Laves phase. Neither the anti-site defects nor the thermal vacancies affect the fracture toughness of the Laves phases significantly.

  20. The intrinsic thermal expansion of point defects in Al

    International Nuclear Information System (INIS)

    Asty, Michel.

    1975-11-01

    The differential length measurement between two specimens, on pure and the other containing point defects, leads to the intrinsic thermal coefficient of expansion β(d) of the defect. A differential dilatometer by Laser interferometry is described operating between 77 and 300 K, with a sensitivity of about 100A on the length difference between an alloy sample and a pure dummy. Concerning substitutional impurities in aluminium between -190 deg C and -90 deg C, the intrinsic thermal coefficient of expansion of the defect β(d) is shown to have an absolute value much larger than the thermal expansion coefficient β 0 of the aluminium matrix: β(d)/β 0 =+3 to +6 for the magnesium impurity, β(d)/β 0 =-3 to -4 for the calcium impurity, and to be independent of the temperature. The existing theoretical models give evaluations for away from modeles theoriques existant sont tres loin d'expliquer les resultats experimentaux. high temperature, the results show that vacancies and divacancies, before collapsing in dislocation loops, form multivacancy clusters with large formation volumes: such a property makes these clusters comparable to cavities where the formation volume per vacancy is equal to the atomic volume of the matrix [fr

  1. A tungsten-rhenium interatomic potential for point defect studies

    Science.gov (United States)

    Setyawan, Wahyu; Gao, Ning; Kurtz, Richard J.

    2018-05-01

    A tungsten-rhenium (W-Re) classical interatomic potential is developed within the embedded atom method interaction framework. A force-matching method is employed to fit the potential to ab initio forces, energies, and stresses. Simulated annealing is combined with the conjugate gradient technique to search for an optimum potential from over 1000 initial trial sets. The potential is designed for studying point defects in W-Re systems. It gives good predictions of the formation energies of Re defects in W and the binding energies of W self-interstitial clusters with Re. The potential is further evaluated for describing the formation energy of structures in the σ and χ intermetallic phases. The predicted convex-hulls of formation energy are in excellent agreement with ab initio data. In pure Re, the potential can reproduce the formation energies of vacancies and self-interstitial defects sufficiently accurately and gives the correct ground state self-interstitial configuration. Furthermore, by including liquid structures in the fit, the potential yields a Re melting temperature (3130 K) that is close to the experimental value (3459 K).

  2. Point defects in GaAs and other semiconductors

    International Nuclear Information System (INIS)

    Ehrhart, P.; Karsten, K.; Pillukat, A.

    1993-01-01

    In order to understand the properties of intrinsic point defects and their interactions at high defect concentrations GaAs wafers were irradiated at 4.5 K with 3 MeV electrons up to a dose of 4 · 10 19 e - /cm 2 . The irradiated samples were investigated by X-ray Diffraction and optical absorption spectroscopy. The defect production increases linearly with irradiation dose and characteristic differences are observed for the two sublattices. The Ga-Frenkel pairs are strongly correlated and are characterized by much larger lattice relaxations (V rel = 2--3 atomic volumes) as compared to the As-Frenkel pairs (V rel ∼1 at. vol.). The dominating annealing stage around 300 K is attributed to the mobility of the Ga interstitial atoms whereas the As-interstitial atoms can recombine with their vacancies only around 500 K. These results are compared to those for InP, ZnSe and Ge. Implications for the understanding of the damage after ion irradiation and implantation are discussed

  3. One-point functions in defect CFT and integrability

    Energy Technology Data Exchange (ETDEWEB)

    Leeuw, Marius de; Kristjansen, Charlotte [The Niels Bohr Institute, University of Copenhagen, Blegdamsvej 17, Copenhagen Ø, DK-2100 (Denmark); Zarembo, Konstantin [NORDITA, KTH Royal Institute of Technology and Stockholm University, Roslagstullsbacken 23, Stockholm, SE-106 91 (Sweden); Department of Physics and Astronomy, Uppsala University, Uppsala, SE-751 08 (Sweden)

    2015-08-19

    We calculate planar tree level one-point functions of non-protected operators in the defect conformal field theory dual to the D3-D5 brane system with k units of the world volume flux. Working in the operator basis of Bethe eigenstates of the Heisenberg XXX{sub 1/2} spin chain we express the one-point functions as overlaps of these eigenstates with a matrix product state. For k=2 we obtain a closed expression of determinant form for any number of excitations, and in the case of half-filling we find a relation with the Néel state. In addition, we present a number of results for the limiting case k→∞.

  4. Simulation of the Nonlinear Dose Dependence of Stabilized Point Defects

    International Nuclear Information System (INIS)

    Chen, R; Pagonis, V; Lawless, J L

    2010-01-01

    The dose dependence of the concentration of point defects in alkali-halides as well as other crystals, as exhibited by the dependence of the thermoluminescence (TL), optical absorption and ESR on the dose of non-ionizing UV excitation is studied using numerical simulation. The relevant set of coupled rate equations are first written and plausible sets of trapping parameters are chosen. Instead of using simplifying assumptions previously used for reaching conclusions concerning this dose behavior, exact numerical solutions have now been reached. Depending on the parameters chosen, different dose dependencies are seen. In some cases, linear dose dependence is reached in a broad range. Sublinear dose dependence, close to a D 1/2 dependence when D is the dose of excitation can be reached when retrapping is stronger than trapping in other traps stabilizing the defects. When strong competition between stabilizing traps takes place, an initial linear range is observed followed by strong superlinearity and an approach to saturation. All these behaviors have been observed experimentally in TL measurements as well as ESR and optical absorption in different materials. Similarities and dissimilarities to linear and non-linear dose dependencies obtained experimentally and by simulations when ionizing irradiation is used for excitation are discussed.

  5. Influence of phosphorus on point defects in an austenitic alloy

    International Nuclear Information System (INIS)

    Boulanger, L.

    1988-06-01

    The influence of phosphorus on points defects clusters has been studied in an austenitic alloy (Fe/19% at. Cr/13% at. Ni). Clusters are observed by transmission electron microscopy. After quenching and annealing, five types of clusters produced by vacancies or phosphorus-vacancies complexes are observed whose presence depends on cooling-speed. Vacancy concentration (with 3.6 10 -3 at. P) in clusters is about 10 -5 and apparent vacancy migration is 2 ± 0.1 eV. These observations suggest the formation of metastable small clusters during cooling which dissociate during annealing and migrate to create the observed clusters. With phosphorus, the unfrequent formation of vacancy loops has been observed during electron irradiation. Ions irradiations show that phosphorus does not favour nucleation of interstitial loops but slowers their growth. It reduces swelling by decreasing voids diameter. Phosphorus forms vacancy complexes whose role is to increase the recombination rate and to slow vacancy migration [fr

  6. Point defects in lines in single crystalline phosphorene: directional migration and tunable band gaps.

    Science.gov (United States)

    Li, Xiuling; Ma, Liang; Wang, Dayong; Zeng, Xiao Cheng; Wu, Xiaojun; Yang, Jinlong

    2016-10-20

    Extended line defects in two-dimensional (2D) materials can play an important role in modulating their electronic properties. During the experimental synthesis of 2D materials, line defects are commonly generated at grain boundaries between domains of different orientations. In this work, twelve types of line-defect structures in single crystalline phosphorene are examined by using first-principles calculations. These line defects are typically formed via migration and aggregation of intrinsic point defects, including the Stone-Wales (SW), single or double vacancy (SV or DV) defects. Our calculated results demonstrate that the migration of point defects in phosphorene is anisotropic, for instance, the lowest migration energy barriers are 1.39 (or 0.40) and 2.58 (or 0.49) eV for SW (or SV) defects in zigzag and armchair directions, respectively. The aggregation of point defects into lines is energetically favorable compared with the separated point defects in phosphorene. In particular, the axis of line defects in phosphorene is direction-selective, depending on the composed point defects. The presence of line defects effectively modulates the electronic properties of phosphorene, rendering the defect-containing phosphorene either metallic or semiconducting with a tunable band gap. Of particular interest is the fact that the SV-based line defect can behave as a metallic wire, suggesting a possibility to fabricate a circuit with subnanometer widths in the semiconducting phosphorene for nanoscale electronic application.

  7. IR thermography methods for evaluation of internal defects in light composite armours

    International Nuclear Information System (INIS)

    Swiderski, W.; Szabra, D.; Szudrowicz, M.

    2009-01-01

    Complete text of publication follows. Light composite armour is a preferred solution against military and paramilitary sources of present threats as the reducing mass of battle vehicles provides a possibility of their quick air-transport. The light armours of these vehicles should be resistant against: common and rifle bullets, grenades, anti-personal mines, IED - improvised explosive devices. The range of military applications anticipated for composite armours covers a broad spectrum of materials and designs. Materials of composite armours include graphite epoxy, glass epoxy and aramid fiber composites. The composites that have been examined can include a variety of defects, such as ballistic impacts, embedded defects, manufacturing defects, thermal damage, moisture ingress and other induced defects. Methods for testing ballistic protection of light armours are known and used. First of all they consist of checking armours resistance against the bullets where the bullet velocity is known. Moreover the V50 velocity is defined during the test. In this method the V 50 velocity of a round or standard fragment is defined (according to STANAG 2920) as the velocity at which armour is penetrated at the probability 50%. The distribution of points hit by bullets or fragments on the surface of an armour is also important. In fact, only correct distribution of these points provides a guaranty for an impartial assessment of tested designs. After hitting by a bullet, shape and size of an area of damage in composite armours depends on the type and design of armour, and type of reinforcing material is particularly important. Knowledge of damage characteristics allows to arrange hitting points to avoid overlapping of damaged areas. Nondestructive testing by using IR thermography methods is very useful in evaluation of internal defects. In the paper we present the dependence between the energy of fragments/or bullets and the dimension of internal defects. (author)

  8. Comprehensive Study of Solar Cell Structure Defects by Means of Noise and Light Emission Analysis

    Directory of Open Access Journals (Sweden)

    Robert Macku

    2012-01-01

    Full Text Available This paper discusses the issue of silicon solar cells localized defects from metrological and physical points of view. Structure imperfections represent the real problem because of solar cells long-term degradation and conversion efficiency decreasing. To this aim we pay our attention to research relating to the defect light emission and correlation with rectangular microplasma fluctuation. A sensitive CCD camera has been used for mapping of surface photon emission. The operation point of the samples has been set to reverse bias mode, and different electric field intensity was applied. We managed to get interesting information using a combination of optical investigation and electrical noise measurement in time and spectral domain. It will be revealed that a direct correlation between noise and photon emission exists and the results related to several defect spots are presented in detail in this paper.

  9. Morphology of the leather defect light flecks and spots.

    Science.gov (United States)

    Nafstad, O; Wisløff, H; Grønstøl, H

    2001-01-01

    The skin histology and the scanning electron microscope morphology of the hide defect light flecks and spots after tanning were studied in 11 steers infested with biting lice (Damalinia bovis). Nine steers from herds free of lice were used as controls. Skin biopsies from 6 of the animals in the lice infested group showed mild to moderate hyperkeratosis and moderate perivascular to diffuse dermatitis with infiltration of mainly mononuclear cells and some eosinophilic granulocytes. The steers were slaughtered at an age of 18 to 23 months. Light flecks and spots occurred on all examined hides from the infested group after tanning. No examined hides from the control group demonstrated similar damage. Both light microscopic examination of sections of tanned hide with light flecks and spots and scanning electron microscopy of the same defects showed superficial grain loss and craters with a irregular fibre base encircled by smooth and intact grain. The association between louse infestation at an early age and damage of hides following slaughter 6 to 15 months later, suggested that louse infestations lead to a prolonged or lifelong weakening in the dermis. This weakening may cause superficial grain loss during the tanning process.

  10. Morphology of the Leather Defect Light Flecks and Spots

    Directory of Open Access Journals (Sweden)

    Grønstøl H

    2001-03-01

    Full Text Available The skin histology and the scanning electron microscope morphology of the hide defect light flecks and spots after tanning were studied in 11 steers infested with biting lice (Damalinia bovis. Nine steers from herds free of lice were used as controls. Skin biopsies from 6 of the animals in the lice infested group showed mild to moderate hyperkeratosis and moderate perivascular to diffuse dermatitis with infiltration of mainly mononuclear cells and some eosinophilic granulocytes. The steers were slaughtered at an age of 18 to 23 months. Light flecks and spots occurred on all examined hides from the infested group after tanning. No examined hides from the control group demonstrated similar damage. Both light microscopic examination of sections of tanned hide with light flecks and spots and scanning electron microscopy of the same defects showed superficial grain loss and craters with a irregular fibre base encircled by smooth and intact grain. The association between louse infestation at an early age and damage of hides following slaughter 6 to 15 months later, suggested that louse infestations lead to a prolonged or lifelong weakening in the dermis. This weakening may cause superficial grain loss during the tanning process.

  11. On the meaning of sink capture efficiency and sink strength for point defects

    International Nuclear Information System (INIS)

    Mansur, L.K.; Wolfer, W.G.

    1982-01-01

    The concepts of sink capture efficiency and sink strength for point defects are central to the theory of point defect reactions in materials undergoing irradiation. Two fundamentally different definitions of the capture efficiency are in current use. The essential difference can be stated simply. The conventional meaning denotes a measure of the loss rate of point defects to sinks per unit mean point defect concentration. A second definition of capture efficiency, introduced recently, gives a measure of the point defect loss rate without normalization to the mean point defect concentration. The relationship between the two capture efficiencies is here derived. By stating the relationship we hope to eliminate confusion caused by comparisons of the two types of capture efficiencies at face value and to provide a method of obtaining one from the other. Internally consistent usage of either of the capture efficiencies leads to the same results for the calculation of measuable quantities, as is required physically. (orig.)

  12. Toward a comprehensive theory of radiation-induced swelling and creep - the point defect concentrations

    International Nuclear Information System (INIS)

    Mansur, L.K.; Yoo, M.H.

    1979-01-01

    The theory of void swelling and irradiation creep is now fairly comprehensive. A unifying concept on which most of this understanding rests is that of the rate theory point defect concentrations. Several basic aspects of this unifying conept are reviewed. These relate to local fluctuations in point defect concentrations produced by cascades, the effects of thermal and radiation-produced divacancies, and the effects of point defect trapping

  13. Point defects and oxidation mechanism in cubic boron nitride

    International Nuclear Information System (INIS)

    Gorshin, A.P.; Shvajko-Shvajkovskij, V.E.

    1994-01-01

    A theoretical analysis of the defect formation in boron nitride by the Schottky mechanism within the framework of the quasi-chemical approximation method is carried out. On the base of solution of the disordering equations at different conditions of electroneutrality are obtained the dependences of defect concentrations in β-BN on the partial nitrogen pressure in equilibrium conditions. Experimental checking of the theoretical analysis proposed confirms the hypothesis on the presence of defects of nonstoichiometric origin in the β-BN anion sublattice

  14. Scanning tip measurement for identification of point defects

    Directory of Open Access Journals (Sweden)

    Raineri Vito

    2011-01-01

    Full Text Available Abstract Self-assembled iron-silicide nanostructures were prepared by reactive deposition epitaxy of Fe onto silicon. Capacitance-voltage, current-voltage, and deep level transient spectroscopy (DLTS were used to measure the electrical properties of Au/silicon Schottky junctions. Spreading resistance and scanning probe capacitance microscopy (SCM were applied to measure local electrical properties. Using a preamplifier the sensitivity of DLTS was increased satisfactorily to measure transients of the scanning tip semiconductor junction. In the Fe-deposited area, Fe-related defects dominate the surface layer in about 0.5 μm depth. These defects deteriorated the Schottky junction characteristic. Outside the Fe-deposited area, Fe-related defect concentration was identified in a thin layer near the surface. The defect transients in this area were measured both in macroscopic Schottky junctions and by scanning tip DLTS and were detected by bias modulation frequency dependence in SCM.

  15. A study of point defects in quenched stainless steels

    International Nuclear Information System (INIS)

    Kheloufi, Khelifa.

    1977-07-01

    Thin foils of stainless steels (18%Cr, 14%Ni) containing boron (50x10 -6 ) and stabilised with titanium have been quenched at different rates in order to observe secondary defects by transmission electron microscopy. A rapid quenching in gallium has not given any secondary defects either before or after annealing. But samples quenched from temperatures greater than 800 0 C-900 0 C exhibit a dislocation density approximately 10 9 cm/cm 3 . A vacancy concentration less than 10 -6 has been observed by positron annihilation technique. After a moderate quenching, any secondary defects has been observed. It is thus clear that boron does not favour the secondary defects formation as does phosphorus [fr

  16. Transforming graphene nanoribbons into nanotubes by use of point defects.

    Science.gov (United States)

    Sgouros, A; Sigalas, M M; Papagelis, K; Kalosakas, G

    2014-03-26

    Using molecular dynamics simulations with semi-empirical potentials, we demonstrate a method to fabricate carbon nanotubes (CNTs) from graphene nanoribbons (GNRs), by periodically inserting appropriate structural defects into the GNR crystal structure. We have found that various defect types initiate the bending of GNRs and eventually lead to the formation of CNTs. All kinds of carbon nanotubes (armchair, zigzag, chiral) can be produced with this method. The structural characteristics of the resulting CNTs, and the dependence on the different type and distribution of the defects, were examined. The smallest (largest) CNT obtained had a diameter of ∼ 5 Å (∼ 39 Å). Proper manipulation of ribbon edges controls the chirality of the CNTs formed. Finally, the effect of randomly distributed defects on the ability of GNRs to transform into CNTs is considered.

  17. Dislocations and point defects in hydrostatically compressed crystal

    International Nuclear Information System (INIS)

    Kosevich, A.M.; Tokij, V.V.; Strel'tsov, V.A.

    1978-01-01

    Within the framework of the theory of finite deformations, the elastic fields are considered, which are induced by the sources of internal stresses in a crystal compressed under a high pressure. In the case of a hydrostatically compressed crystal with defects, the use of a variation principle is discussed. Using the smallness of distorsions, the linear theory of elastic fields of defects in the crystal compressed under a high pressure, is developed. An analysis of the main relationships of the theory results in the following conclusion: in a course of the linear approximation the taking into account of the hydrostatic pressure brings to the renorming of the elasticity moduli and to the replacing of the hydrostatic parameters of defects by their values in the compressed crystal. That conclusion allows the results of the elasticity linear theory of the crystal with defects to be used to the full extent

  18. Point-Defect Mediated Bonding of Pt Clusters on (5,5) Carbon Nanotubes

    DEFF Research Database (Denmark)

    Wang, J. G.; Lv, Y. A.; Li, X. N.

    2009-01-01

    The adhesion of various sizes of Pt clusters on the metallic (5,5) carbon nanotubes (CNTs) with and without the point defect has been investigated by means of density functional theory (DFT). The calculations show that the binding energies of Pt-n (n = 1-6) clusters on the defect free CNTs are more......). The stronger orbital hybridization between the Pt atom and the carbon atom shows larger charge transfers on the defective CNTs than on the defect free CNTs, which allows the strong interaction between Pt clusters and CNTs. On the basis of DFT calculations, CNTs with point defect can be used as the catalyst...

  19. Observation of point defects in impurity-doped zinc selenide films using a monoenergetic positron beam

    International Nuclear Information System (INIS)

    Miyajima, T.; Okuyama, H.; Akimoto, K.; Mori, Y.; Wei, L.; Tanigawa, S.

    1992-01-01

    We studied point defects in ZnSe films grown by molecular beam epitaxy using the positron annihilation method. We found that doping with Ga atoms induces vacancy-type defects such as Zn vacancies, and that heavy doping with oxygen atoms induces interstitial type defects. We think that these defects are one of the causes of active carrier saturation in doped ZnSe films. (author)

  20. Point defect states in Sb-doped germanium

    Energy Technology Data Exchange (ETDEWEB)

    Patel, Neil S., E-mail: neilp@mit.edu; Monmeyran, Corentin, E-mail: comonmey@mit.edu [Department of Materials Science and Engineering, Massachusetts Institute of Technology, 77 Massachusetts Ave., Cambridge, Massachusetts 02139 (United States); Agarwal, Anuradha [Microphotonics Center, Massachusetts Institute of Technology, 77 Massachusetts Ave., Cambridge, Massachusetts 02139 (United States); Kimerling, Lionel C. [Department of Materials Science and Engineering, Massachusetts Institute of Technology, 77 Massachusetts Ave., Cambridge, Massachusetts 02139 (United States); Microphotonics Center, Massachusetts Institute of Technology, 77 Massachusetts Ave., Cambridge, Massachusetts 02139 (United States)

    2015-10-21

    Defect states in n-type Sb-doped germanium were investigated by deep-level transient spectroscopy. Cobalt-60 gamma rays were used to generate isolated vacancies and interstitials which diffuse and react with impurities in the material to form four defect states (E{sub 37}, E{sub 30}, E{sub 22}, and E{sub 21}) in the upper half of the bandgap. Irradiations at 77 K and 300 K as well as isothermal anneals were performed to characterize the relationships between the four observable defects. E{sub 37} is assigned to the Sb donor-vacancy associate (E-center) and is the only vacancy containing defect giving an estimate of 2 × 10{sup 11 }cm{sup −3} Mrad{sup −1} for the uncorrelated vacancy-interstitial pair introduction rate. The remaining three defect states are interstitial associates and transform among one another. Conversion ratios between E{sub 22}, E{sub 21}, and E{sub 30} indicate that E{sub 22} likely contains two interstitials.

  1. Formation Energies of Native Point Defects in Strained-Layer Superlattices (Postprint)

    Science.gov (United States)

    2017-06-05

    potential; bulk materials; total energy calculations; entropy; strained- layer superlattice (SLS) 16. SECURITY CLASSIFICATION OF: 17. LIMITATION OF...AFRL-RX-WP-JA-2017-0217 FORMATION ENERGIES OF NATIVE POINT DEFECTS IN STRAINED- LAYER SUPERLATTICES (POSTPRINT) Zhi-Gang Yu...2016 Interim 11 September 2013 – 5 November 2016 4. TITLE AND SUBTITLE FORMATION ENERGIES OF NATIVE POINT DEFECTS IN STRAINED- LAYER SUPERLATTICES

  2. Point defects and diffusion in alloys: correlation effects

    International Nuclear Information System (INIS)

    Barbe, Vincent

    2006-01-01

    Kinetic models in alloys aim at predicting the transport properties of a system starting from the microscopic jump frequencies of defects. Such properties are of prior importance in systems which stay out of equilibrium for a long time, as for example irradiated alloys in nuclear reactors. We hereby propose several developments of the recent self-consistent mean field (SCMF) kinetic theory, which deals particularly with the correlation effects due to the coupling of atomic and defect fluxes. They are taken into account through a non-equilibrium distribution function of the system, which is derived from the time evolution of small clusters (of two or more atoms or defects). We therefore introduce a set of 'dynamic' interactions called effective Hamiltonian. The SCMF theory is extended to treat high jump frequency ratios for the vacancy mechanism, as well as the transport through interstitial defects. We use in both cases an atomic model which accounts for the thermodynamic properties of the alloy, as e.g. the short-range order. Those models are eventually applied to predict the diffusion properties in two model alloys of nuclear interest: the concentrated Fe-Ni-Cr solid solution and the dilute Fe(P) alloy. We present adapted atomic models and compare our predictions to experimental data. (author)

  3. Point defect thermodynamics and diffusion in Fe3C: A first-principles study

    International Nuclear Information System (INIS)

    Chao Jiang; Uberuaga, B.P.; Srinivasan, S.G.

    2008-01-01

    The point defect structure of cementite (Fe 3 C) is investigated using a combination of the statistical mechanical Wagner-Schottky model and first-principles calculations within the generalized gradient approximation. Large 128-atom supercells are employed to obtain fully converged point defect formation energies. The present study unambiguously shows that carbon vacancies and octahedral carbon interstitials are the structural defects in C-depleted and C-rich cementite, respectively. The dominant thermal defects in C-depleted and stoichiometric cementite are found to be carbon Frenkel pairs. In C-rich cementite, however, the primary thermal excitations are strongly temperature-dependent: interbranch, Schottky and Frenkel defects dominate successively with increasing temperature. Using the nudged elastic band technique, the migration barriers of major point defects in cementite are also determined and compared with available experiments in the literature

  4. 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.

  5. Constitutional and thermal point defects in B2 NiAl

    DEFF Research Database (Denmark)

    Korzhavyi, P. A.; Ruban, Andrei; Lozovoi, A. Y.

    2000-01-01

    The formation energies of point defects and the interaction energies of various defect pairs in NiAl are calculated from first principles within an order N, locally self-consistent Green's-function method in conjunction with multipole electrostatic corrections to the atomic sphere approximation...... distance on their sublattice. The dominant thermal defects in Ni-rich and stoichiometric NiAl are calculated to be triple defects. In Al-rich alloys another type of thermal defect dominates, where two Ni vacancies are replaced by one antisite Al atom. As a result, the vacancy concentration decreases...

  6. Structural peculiarities and point defects of bulk-ZnO single crystals

    International Nuclear Information System (INIS)

    Kaurova, I.A.; Kuz’micheva, G.M.; Rybakov, V.B.; Cousson, A.; Gayvoronsky, V.Ya.

    2014-01-01

    Highlights: • ZnO single crystals of different color were grown by the hydrothermal method. • Point defects in ZnO have been firstly investigated by neutron diffraction. • Presence of additional reflections caused by kinetic growth effects was revealed. • The relationship between the color and zinc and oxygen vacancies was found. • Photoinduced variation of transmittance versus the CW laser intensity was analyzed. - Abstract: ZnO single crystals are related to promising direct wide band gap semiconductor materials belonging to the A II B VI type of compounds with wurtzite structure. “Unintentional” n-type conductivity in ZnO may be caused by zinc and oxygen vacancies, and interstitial zinc atoms. To date, the comprehensive structural investigation and analysis of point defects in ZnO is absent in literature. Green, light green and almost colorless ZnO single crystals grown by the hydrothermal method in concentrated alkali solutions 4M(KOH) + 1M(LiOH) + 0.1M(NH 4 OH) on monohedral seeds [0 0 0 1] at crystallization temperatures in the range of 330–350 °C and pressures in the range of 30–50 MPa have been firstly investigated by neutron diffraction. It was revealed the presence of additional reflections (∼12–∼16%) for all the crystals caused by kinetic growth effects that give grounds to assign them to the space group P3 rather than to P6 3 mc. Analysis of the refined compositions together with the color of ZnO crystals does not rule out the relationship between the color and vacancies in the zinc and oxygen positions whose concentration decreases with the discoloration of the samples. The analysis of the photoinduced variation of the total and on-axis transmittance versus the CW laser intensity showed that the colored samples have profound deep defects related to oxygen vacancies

  7. Radiation induced segregation and point defects in binary copper alloys

    International Nuclear Information System (INIS)

    Monteiro, W.A.

    1984-01-01

    Considerable progress, both theoretical and experimental, has been made in establishing and understanding the influence of factors such as temperature, time, displacement rate dependence and the effect of initial solute misfit on radiation induced solute diffusion and segregation. During irradiation, the composition of the alloy changes locally, due to defect flux driven non-equilibrium segregation near sinks such as voids, external surfaces and grain boundaries. This change in composition could influence properties and phenomena such as ductility, corrosion resistance, stress corrosion cracking, sputtering and blistering of materials used in thermo-nuclear reactors. In this work, the effect of 1 MeV electron irradiation on the initiation and development of segregation and defect diffusion in binary copper alloys has been studied in situ, with the aid of a high voltage electron microscope. The binary copper alloys had Be, Pt and Sn as alloying elements which had atomic radii less than, similar and greater than that of copper, respectively. It has been observed that in a wide irradiation temperature range, stabilization and growth of dislocation loops took place in Cu-Sn and Cu-Pt alloys. Whereas in the Cu-Be alloy, radiation induced precipitates formed and transformed to the stable γ phase. (Author) [pt

  8. Structure, stability and mobility of point defects in hexagonal close packed zirconium: an ab initio study

    International Nuclear Information System (INIS)

    Verite, G.

    2007-09-01

    This research aims at determining, by means of DFT (density functional theory) electronic structure computations, the structure, the stability, and the mobility of isolated point defects, lack defects, auto-interstitial defects, or small aggregate defects in the compact hexagonal zirconium (hc Zr). After a literature survey on the studied materials and a review of computer simulation methods in material science, the author presents and comments the available results from experiments or simulations on point defects in hc Zr. He presents the growth phenomenon under radiation. Then, he briefly described the computing techniques used in this study, reports the determination of the network parameters and elastic constants of each material. He reports and comments the results obtained with the SIESTA code and with a Monte Carlo kinetic simulation. The different types of defects are investigated

  9. Effect of reorientation of anisotropic point defects on relaxation of crystal elastic coefficients of high order

    International Nuclear Information System (INIS)

    Topchyan, I.I.; Dokhner, R.D.

    1977-01-01

    The effect of reorientation of anisotropic point defects in uniform fields of elastic stresses on the relaxation of the elastic coefficients of a crystal was investigated in the nonlinear elasticity theory approximation. In calculating the interaction of point defects with elastic-stress fields was taken into consideration. The expression for the relaxations of the elasticity coefficients are obtained in an analytical form. The relaxation of the second-order elasticity coefficients is due to the dimentional interaction of a point defect with an applied-stress field, whereas the relaxation of the higher-order elasticity coefficients is determined both by dimentional and module effects

  10. Absorption and atom mobility in electric field: point defect role in glasses

    International Nuclear Information System (INIS)

    Serruys, Y.; Vigouroux, J.P.

    1986-10-01

    During the surface analysis of dielectric materials, the impinging ionising particles induce point defects localised in the band gap and build an electrical charge. The electric field created by the charged defects modifies the physico-chemical properties of surface and bulk. We show that the fundamental study of defects allows a better understanding of technological phenomena such as dielectric breakdown, fracture and diffusion [fr

  11. Point defects and magnetic properties of neutron irradiated MgO single crystal

    Directory of Open Access Journals (Sweden)

    Mengxiong Cao

    2017-05-01

    Full Text Available (100-oriented MgO single crystals were irradiated to introduce point defects with different neutron doses ranging from 1.0×1016 to 1.0×1020 cm-2. The point defect configurations were studied with X-ray diffuse scattering and UV-Vis absorption spectra. The isointensity profiles of X-ray diffuse scattering caused by the cubic and double-force point defects in MgO were theoretically calculated based on the Huang scattering theory. The magnetic properties at different temperature were measured with superconducting quantum interference device (SQUID. The reciprocal space mappings (RSMs of irradiated MgO revealed notable diffuse scattering. The UV-Vis spectra indicated the presence of O Frenkel defects in irradiated MgO. Neutron-irradiated MgO was diamagnetic at room temperature and became ferromagnetic at low temperature due to O Frenkel defects induced by neutron-irradiation.

  12. Study of some properties of point defects in grain boundaries

    International Nuclear Information System (INIS)

    Martin, Georges

    1973-01-01

    With the aim of deducing simple informations on the grain boundary core structure, we investigated self diffusion under hydrostatic pressure, impurity diffusion (In and Au), electromigration (Sb) along certain types of grain boundaries in Ag bicrystals, and the Moessbauer effect of 57 Co located in the grain boundaries of polycrystalline Be. Our results lead to the following conclusions: the formation of a vacancy like defects is necessary to grain boundary diffusion; solute atoms may release most of their elastic energy of dissolution as they segregate at the boundary; in an electrical field, the drift of Sb ions parallel to the boundary takes place toward the anode as in the bulk. The force on the grain boundary ions is larger than in the bulk; Moessbauer spectroscopy revealed the formation of Co-rich aggregates, which may proves important in the study of early stages of grain boundary precipitation. (author) [fr

  13. Contribution to the study of point defects in uranium α

    International Nuclear Information System (INIS)

    Jousset, J.

    1968-01-01

    Uranium quenched from temperatures as low as 100 K shows an important increase in resistivity which disappears after annealing between 4.2 K and 41 K. This phenomenon is explained by a cold-work of the metal due to the rapid traversing of the temperature region where the lattice parameters exhibit an important and anisotropic increase. The annealing occurs in two stages (4.2 K - 26 K - 41 K). Purity of samples has an influence on the phenomenon. Model proposed is confirmed by the comparison with some experiments of annealing of defects created by irradiation of uranium at very low temperatures. Vacancies have been quenched in the metal from temperatures around 650 C (limit of the α phase). The formation energy so found is E F = 0. 5 ± 0.15 eV. The annealing out of the induced resistivity happens in two stages (300-390; 420-560 C). (authors) [fr

  14. Atomistic simulation of the point defects in TaW ordered alloy

    Indian Academy of Sciences (India)

    atom method (MAEAM), the formation, migration and activation energies of the point defects for six-kind migration mechanisms in B2-type TaW alloy have been investigated. The results showed that the anti-site defects TaW and WTa were easier to form than Ta and W vacancies owing to their lower formation energies.

  15. Point-Defect Mediated Bonding of Pt Clusters on (5,5) Carbon Nanotubes

    DEFF Research Database (Denmark)

    Wang, J. G.; Lv, Y. A.; Li, X. N.

    2009-01-01

    The adhesion of various sizes of Pt clusters on the metallic (5,5) carbon nanotubes (CNTs) with and without the point defect has been investigated by means of density functional theory (DFT). The calculations show that the binding energies of Pt-n (n = 1-6) clusters on the defect free CNTs are mo...

  16. Change of elastic constants induced by point defects in hop crystals

    International Nuclear Information System (INIS)

    Tome, C.

    1979-10-01

    An approximate model is developed to calculate the change of elastic constants induced by point defects in hcp metals, supposed the defect configuration is known. General expressions relating the change of elastic moduli to the final atomic coordinates and to the defect force field are derived using the specific symmetry of the defect. Explicit calculations are done for Mg. The predicted change of elastic moduli turns out to be negative for vacancies and trigonal interstitials while for hexagonal interstitials a positive change is predicted. Compatibility with experimental data would suggest that the trigonal configuration is the stable one. (author)

  17. Point defects behavior in beta Cu-based shape memory alloys

    International Nuclear Information System (INIS)

    Romero, R.; Somoza, A.

    1999-01-01

    A summary of positron annihilation spectroscopy data relating to the point defect behavior after quenching and to thermal equilibrium in β-phase Cu-based shape memory alloys Cu-Zn-Al and Cu-Al-Be is presented. Particular attention is given to the initial concentration of quenched-in vacancies as a function of the quenching temperature, migration of the retained point defects with aging temperature and time, and the vacancy formation and migration energies. (orig.)

  18. Sigma models in the presence of dynamical point-like defects

    International Nuclear Information System (INIS)

    Doikou, Anastasia; Karaiskos, Nikos

    2013-01-01

    Point-like Liouville integrable dynamical defects are introduced in the context of the Landau–Lifshitz and Principal Chiral (Faddeev–Reshetikhin) models. Based primarily on the underlying quadratic algebra we identify the first local integrals of motion, the associated Lax pairs as well as the relevant sewing conditions around the defect point. The involution of the integrals of motion is shown taking into account the sewing conditions.

  19. The quantum nonlinear Schroedinger model with point-like defect

    International Nuclear Information System (INIS)

    Caudrelier, V; Mintchev, M; Ragoucy, E

    2004-01-01

    We establish a family of point-like impurities which preserve the quantum integrability of the nonlinear Schroedinger model in 1+1 spacetime dimensions. We briefly describe the construction of the exact second quantized solution of this model in terms of an appropriate reflection-transmission algebra. The basic physical properties of the solution, including the spacetime symmetry of the bulk scattering matrix, are also discussed. (letter to the editor)

  20. Point defects in ZnO crystals grown by various techniques

    International Nuclear Information System (INIS)

    Čížek, J; Vlček, M; Hruška, P; Lukáč, F; Melikhova, O; Anwand, W; Selim, F; Hugenschmidt, Ch; Egger, W

    2017-01-01

    In the present work point defects in ZnO crystals were characterized by positron lifetime spectroscopy combined with back-diffusion measurement of slow positrons. Defects in ZnO crystals grown by various techniques were compared. Hydrothermally grown ZnO crystals contain defects characterized by lifetime of ≈181 ps. These defects were attributed to Zn vacancies associated with hydrogen. ZnO crystals prepared by other techniques (Bridgman, pressurized melt growth, and seeded chemical vapour transport) exhibit shorter lifetime of ≈165 ps. Positron back-diffusion studies revealed that hydrothermally grown ZnO crystals contain higher density of defects than the crystals grown by other techniques. The lowest concentration of defects was detected in the crystal grown by seeded chemical vapor transport. (paper)

  1. Point defects in nickel; Les defauts ponctuels dans le nickel

    Energy Technology Data Exchange (ETDEWEB)

    Peretto, P [Commissariat a l' Energie Atomique, Grenoble (France). Centre d' Etudes Nucleaires

    1969-07-01

    The defects in electron irradiated nickel (20 deg. K) or neutron irradiated nickel (28 deg. K) are studied by simultaneous analysis using the magnetic after-effect, electron microscopy and electrical resistivity recovery. We use zone refined nickel (99.999 per cent) which, for some experiments, is alloyed with a small amount of iron (for example 0.1 per cent Fe). The temperature dependant electrical recovery may be divided in four stages. The sub-stages I{sub B} (31 deg. K), I{sub C} (42 deg. K), I{sub D} (from to 57 deg. K) and I{sub E} (62 deg. K) of stage I are due to the disappearance of single interstitials into vacancies. The interstitial defect has a split configuration with a migration energy of about 0.15 eV. In the close pair which disappears in stage I{sub B} the interstitial is found to be in a 3. neighbour position whilst in stage I{sub D} it is near the <110> direction from the vacancy. In stage I{sub E} there is no longer any interaction between the interstitial and the vacancy. The stage II is due to more complicated interstitial defects: di-interstitials for stage II{sub B} (84 deg. K) and larger and larger interstitial loops for the following sub-stages. The loops may be seen by electron microscopy. Impurities can play the role of nucleation centers for the loops. Stages III{sub A} (370 deg. K) and III{sub B} (376 deg. K) are due to two types of di-vacancies. During stage IV (410 deg. K) the single vacancies migrate. Vacancy type loops and interstitial type loops grow concurrently and disappear at about 800 deg. K as observed by electron microscopy. (author) [French] Les defauts crees dans le nickel par irradiation avec des electrons a la temperature de 20 deg. K et par irradiation avec des neutrons a la temperature de 28 deg. K sont etudies par l'analyse simultanee du trainage magnetique, de la microscopie electronique et de la restauration de la resistivite electrique. Les echantillons sont en nickel, purifie par la methode de la zone fondue

  2. Point defects in nickel; Les defauts ponctuels dans le nickel

    Energy Technology Data Exchange (ETDEWEB)

    Peretto, P. [Commissariat a l' Energie Atomique, Grenoble (France). Centre d' Etudes Nucleaires

    1969-07-01

    The defects in electron irradiated nickel (20 deg. K) or neutron irradiated nickel (28 deg. K) are studied by simultaneous analysis using the magnetic after-effect, electron microscopy and electrical resistivity recovery. We use zone refined nickel (99.999 per cent) which, for some experiments, is alloyed with a small amount of iron (for example 0.1 per cent Fe). The temperature dependant electrical recovery may be divided in four stages. The sub-stages I{sub B} (31 deg. K), I{sub C} (42 deg. K), I{sub D} (from to 57 deg. K) and I{sub E} (62 deg. K) of stage I are due to the disappearance of single interstitials into vacancies. The interstitial defect has a split configuration with a migration energy of about 0.15 eV. In the close pair which disappears in stage I{sub B} the interstitial is found to be in a 3. neighbour position whilst in stage I{sub D} it is near the <110> direction from the vacancy. In stage I{sub E} there is no longer any interaction between the interstitial and the vacancy. The stage II is due to more complicated interstitial defects: di-interstitials for stage II{sub B} (84 deg. K) and larger and larger interstitial loops for the following sub-stages. The loops may be seen by electron microscopy. Impurities can play the role of nucleation centers for the loops. Stages III{sub A} (370 deg. K) and III{sub B} (376 deg. K) are due to two types of di-vacancies. During stage IV (410 deg. K) the single vacancies migrate. Vacancy type loops and interstitial type loops grow concurrently and disappear at about 800 deg. K as observed by electron microscopy. (author) [French] Les defauts crees dans le nickel par irradiation avec des electrons a la temperature de 20 deg. K et par irradiation avec des neutrons a la temperature de 28 deg. K sont etudies par l'analyse simultanee du trainage magnetique, de la microscopie electronique et de la restauration de la resistivite electrique. Les echantillons sont en nickel, purifie par la methode de la zone

  3. Influence of point defects on the near edge structure of hexagonal boron nitride

    Science.gov (United States)

    McDougall, Nicholas L.; Partridge, Jim G.; Nicholls, Rebecca J.; Russo, Salvy P.; McCulloch, Dougal G.

    2017-10-01

    Hexagonal boron nitride (hBN) is a wide-band-gap semiconductor with applications including gate insulation layers in graphene transistors, far-ultraviolet light emitting devices and as hydrogen storage media. Due to its complex microstructure, defects in hBN are challenging to identify. Here, we combine x-ray absorption near edge structure (XANES) spectroscopy with ab initio theoretical modeling to identify energetically favorable defects. Following annealing of hBN samples in vacuum and oxygen, the B and N K edges exhibited angular-dependent peak modifications consistent with in-plane defects. Theoretical calculations showed that the energetically favorable defects all produce signature features in XANES. Comparing these calculations with experiments, the principle defects were attributed to substitutional oxygen at the nitrogen site, substitutional carbon at the boron site, and hydrogen passivated boron vacancies. Hydrogen passivation of defects was found to significantly affect the formation energies, electronic states, and XANES. In the B K edge, multiple peaks above the major 1 s to π* peak occur as a result of these defects and the hydrogen passivated boron vacancy produces the frequently observed doublet in the 1 s to σ* transition. While the N K edge is less sensitive to defects, features attributable to substitutional C at the B site were observed. This defect was also calculated to have mid-gap states in its band structure that may be responsible for the 4.1-eV ultraviolet emission frequently observed from this material.

  4. Deformation behaviour induced by point defects near a Cu(0 0 1) surface

    International Nuclear Information System (INIS)

    Said-Ettaoussi, M.; Jimenez-Saez, J.C.; Perez-Martin, A.M.C.; Jimenez-Rodriguez, J.J.

    2004-01-01

    In order to attain a satisfactory understanding of many of the properties of metallic surfaces, it is necessary to take into account the distorting effect of self-interstitials and vacancies. The present work is focused on the study of the behaviour of neighbouring atoms around point defects. The conjugate gradient method with an empiric many-body potential has been used to study the point defect-surface interaction. Point defects have been generated at several depths under a Cu(0 0 1) surface and then the whole system driven to the minimum energy state. The displacement field has been obtained in the vicinity to the defect. An energetic analysis is also carried out calculating formation and migration energies

  5. PyCDT: A Python toolkit for modeling point defects in semiconductors and insulators

    Science.gov (United States)

    Broberg, Danny; Medasani, Bharat; Zimmermann, Nils E. R.; Yu, Guodong; Canning, Andrew; Haranczyk, Maciej; Asta, Mark; Hautier, Geoffroy

    2018-05-01

    Point defects have a strong impact on the performance of semiconductor and insulator materials used in technological applications, spanning microelectronics to energy conversion and storage. The nature of the dominant defect types, how they vary with processing conditions, and their impact on materials properties are central aspects that determine the performance of a material in a certain application. This information is, however, difficult to access directly from experimental measurements. Consequently, computational methods, based on electronic density functional theory (DFT), have found widespread use in the calculation of point-defect properties. Here we have developed the Python Charged Defect Toolkit (PyCDT) to expedite the setup and post-processing of defect calculations with widely used DFT software. PyCDT has a user-friendly command-line interface and provides a direct interface with the Materials Project database. This allows for setting up many charged defect calculations for any material of interest, as well as post-processing and applying state-of-the-art electrostatic correction terms. Our paper serves as a documentation for PyCDT, and demonstrates its use in an application to the well-studied GaAs compound semiconductor. We anticipate that the PyCDT code will be useful as a framework for undertaking readily reproducible calculations of charged point-defect properties, and that it will provide a foundation for automated, high-throughput calculations.

  6. Coupling reducing k-points for supercell models of defects in three-dimensional photonic crystals

    DEFF Research Database (Denmark)

    Lægsgaard, Jesper; Bjarklev, Anders Overgaard

    2004-01-01

    The optimum choice of k-point for supercell calculations of defect states in a three-dimensional photonic crystal is investigated for the case of a supercell with a simple cubic (SC) structure. By using the k-point (1/4,1/4,1/4) it is possible to eliminate the symmetric part of the repeated...

  7. Ab-initio modelling of thermodynamics and kinetics of point defects in indium oxide

    International Nuclear Information System (INIS)

    Agoston, Peter; Klein, Andreas; Albe, Karsten; Erhart, Paul

    2008-01-01

    The electrical and optical properties of indium oxide films strongly vary with the processing parameters. Especially the oxygen partial pressure and temperature determine properties like electrical conductivity, composition and transparency. Since this material owes its remarkable properties like the intrinsic n-type conductivity to its defect chemistry, it is important to understand both, the equilibrium defect thermodynamics and kinetics of the intrinsic point defects. In this contribution we present a defect model based on DFT total energy calculations using the GGA+U method. Further, the nudged elastic band method is employed in order to obtain a set of migration barriers for each defect species. Due to the complicated crystal structure of indium oxide a Kinetic Monte-Carlo algorithm was implemented, which allows to determine diffusion coefficients. The bulk tracer diffusion constant is predicted as a function of oxygen partial pressure, Fermi level and temperature for the pure material

  8. Stability and kinetics of point defects in SiO2 and in SiC

    International Nuclear Information System (INIS)

    Roma, G.

    2012-01-01

    This document is conceived as an overview of Guido Roma's research achievements on defects stability and kinetics in two materials of interest in nuclear science and for many other application domains: silicon dioxide and silicon carbide. An extended summary in french is followed by the main document, in english. Chapter 1 describes the context, introduces the approach and explains the choice of silicon dioxide and silicon carbide. Chapter 2 discusses several approximations and specific issues of the application of Density Functional Theory to point defects in non-metallic materials for the study of defects energetics and diffusion. Chapter 3 is devoted to native defects in silicon dioxide and the understanding of self-diffusion in crystalline and amorphous SiO 2 . Chapter 4 summarises the results on native defects and palladium impurities in silicon carbide. A conclusion, including suggestions for future developments, closes the main part of the document. (author) [fr

  9. Imaging atomic-level random walk of a point defect in graphene

    Science.gov (United States)

    Kotakoski, Jani; Mangler, Clemens; Meyer, Jannik C.

    2014-05-01

    Deviations from the perfect atomic arrangements in crystals play an important role in affecting their properties. Similarly, diffusion of such deviations is behind many microstructural changes in solids. However, observation of point defect diffusion is hindered both by the difficulties related to direct imaging of non-periodic structures and by the timescales involved in the diffusion process. Here, instead of imaging thermal diffusion, we stimulate and follow the migration of a divacancy through graphene lattice using a scanning transmission electron microscope operated at 60 kV. The beam-activated process happens on a timescale that allows us to capture a significant part of the structural transformations and trajectory of the defect. The low voltage combined with ultra-high vacuum conditions ensure that the defect remains stable over long image sequences, which allows us for the first time to directly follow the diffusion of a point defect in a crystalline material.

  10. From global to heavy-light: 5-point conformal blocks

    International Nuclear Information System (INIS)

    Alkalaev, Konstantin; Belavin, Vladimir

    2016-01-01

    We consider Virasoro conformal blocks in the large central charge limit. There are different regimes depending on the behavior of the conformal dimensions. The most simple regime is reduced to the global sl(2,ℂ) conformal blocks while the most complicated one is known as the classical conformal blocks. Recently, Fitzpatrick, Kaplan, and Walters showed that the two regimes are related through the intermediate stage of the so-called heavy-light semiclassical limit. We study this idea in the particular case of the 5-point conformal block. To find the 5-point global block we use the projector technique and the Casimir operator approach. Furthermore, we discuss the relation between the global and the heavy-light limits and construct the heavy-light block from the global block. In this way we reproduce our previous results for the 5-point perturbative classical block obtained by means of the monodromy method.

  11. Quantum electrodynamics and light rays. [Two-point correlation functions

    Energy Technology Data Exchange (ETDEWEB)

    Sudarshan, E.C.G.

    1978-11-01

    Light is a quantum electrodynamic entity and hence bundles of rays must be describable in this framework. The duality in the description of elementary optical phenomena is demonstrated in terms of two-point correlation functions and in terms of collections of light rays. The generalizations necessary to deal with two-slit interference and diffraction by a rectangular slit are worked out and the usefulness of the notion of rays of darkness illustrated. 10 references.

  12. Computer experiments on the imaging of point defects with the conventional transmission electron microscope

    Energy Technology Data Exchange (ETDEWEB)

    Krakow, W [Xerox Corp., Rochester, N.Y. (USA)

    1978-02-01

    To aid in the interpretation of high resolution electron micrographs of defect structures in crystals, computer-simulated dark-field electron micrographs have been obtained for a variety of point defects in metals. Interpretation of these images in terms of atomic positions and atom correlations becomes straightforward, and it is a simple matter to distinguish between real structural information and image artifacts produced by the phase contrast mechanism in the electron optical imaging process.

  13. A study of point defects in UO 2+x and their impact upon fuel properties

    OpenAIRE

    Ma , Yue

    2017-01-01

    Uranium dioxide is an oxygen excess, non-stoichiometric, fluorite material which exists over a wide range of compositions. At temperatures and oxygen activities that are relevant to its in-reactor behaviour, it has been reported that various types of point defects and clusters thereof may exist with different charge states and different compositions on both the anion and cation sublattices. These defects have a major influence on certain key engineering properties such as cation self -diffusi...

  14. Kinetic model for electric-field induced point defect redistribution near semiconductor surfaces

    Science.gov (United States)

    Gorai, Prashun; Seebauer, Edmund G.

    2014-07-01

    The spatial distribution of point defects near semiconductor surfaces affects the efficiency of devices. Near-surface band bending generates electric fields that influence the spatial redistribution of charged mobile defects that exchange infrequently with the lattice, as recently demonstrated for pile-up of isotopic oxygen near rutile TiO2 (110). The present work derives a mathematical model to describe such redistribution and establishes its temporal dependence on defect injection rate and band bending. The model shows that band bending of only a few meV induces significant redistribution, and that the direction of the electric field governs formation of either a valley or a pile-up.

  15. Kinetic model for electric-field induced point defect redistribution near semiconductor surfaces

    International Nuclear Information System (INIS)

    Gorai, Prashun; Seebauer, Edmund G.

    2014-01-01

    The spatial distribution of point defects near semiconductor surfaces affects the efficiency of devices. Near-surface band bending generates electric fields that influence the spatial redistribution of charged mobile defects that exchange infrequently with the lattice, as recently demonstrated for pile-up of isotopic oxygen near rutile TiO 2 (110). The present work derives a mathematical model to describe such redistribution and establishes its temporal dependence on defect injection rate and band bending. The model shows that band bending of only a few meV induces significant redistribution, and that the direction of the electric field governs formation of either a valley or a pile-up.

  16. Point defects and irradiation in oxides: simulations at the atomic scale

    International Nuclear Information System (INIS)

    Crocombette, J.P.

    2005-12-01

    The studies done by Jean-Paul Crocombette between 1996 and 2005 in the Service de Recherches de Metallurgie Physique of the Direction de l'Energie Nucleaire in Saclay are presented in this Habilitation thesis. These works were part of the material science researches on the ageing, especially under irradiation, of oxides of interest for the nuclear industry. In this context simulation studies at the atomic scale were performed on two elementary components of ageing under irradiation : point defects and displacement cascades ; using two complementary simulation techniques : ab initio electronic structure calculations and empirical potential molecular dynamics. The first part deals with point defects : self defects (vacancies or interstitials) or hetero-atomic dopants. One first recalls the energetics of such defects in oxides, the specific features of defects calculations and the expected accuracy of these calculations. Then one presents the results obtained on uranium dioxide, oxygen in silver and amorphous silica. The second part tackles the modelling of disintegration recoil nuclei in various?displacement cascades created by crystalline matrices for actinide waste disposal. Cascade calculations give access to the amorphization mechanisms under irradiation of these materials. One thus predicts that the amorphization in zircon takes place directly in the tracks whereas in lanthanum zirconate, the amorphization proceeds through the accumulation of point defects. Finally the prospects of these studies are discussed. (author)

  17. Estimates of point defect production in α-quartz using molecular dynamics simulations

    Science.gov (United States)

    Cowen, Benjamin J.; El-Genk, Mohamed S.

    2017-07-01

    Molecular dynamics (MD) simulations are performed to investigate the production of point defects in α-quartz by oxygen and silicon primary knock-on atoms (PKAs) of 0.25-2 keV. The Wigner-Seitz (WS) defect analysis is used to identify the produced vacancies, interstitials, and antisites, and the coordination defect analysis is used to identify the under and over-coordinated oxygen and silicon atoms. The defects at the end of the ballistic phase and the residual defects, after annealing, increase with increased PKA energy, and are statistically the same for the oxygen and silicon PKAs. The WS defect analysis results show that the numbers of the oxygen vacancies and interstitials (VO, Oi) at the end of the ballistic phase is the highest, followed closely by those of the silicon vacancies and interstitials (VSi, Sii). The number of the residual oxygen and silicon vacancies and interstitials are statistically the same. In addition, the under-coordinated OI and SiIII, which are the primary defects during the ballistic phase, have high annealing efficiencies (>89%). The over-coordinated defects of OIII and SiV, which are not nearly as abundant in the ballistic phase, have much lower annealing efficiencies (PKA energy.

  18. Point defects in dilute nitride III-N-As and III-N-P

    International Nuclear Information System (INIS)

    Chen, W.M.; Buyanova, I.A.; Tu, C.W.; Yonezu, H.

    2006-01-01

    We provide a brief review of our recent results from optically detected magnetic resonance studies of grown-in non-radiative defects in two most important dilute nitride systems-Ga(In)NAs grown on GaAs substrates and Ga(Al,In)NP grown on Si and GaP substrates. These results have led to the identification of defect complexes in the alloys, involving intrinsic defects such as As Ga antisites and Ga i self-interstitials. They have also shed light on formation mechanisms of the defects and on their role in non-radiative carrier recombination that is harmful to the performance of potential optoelectronic and photonic devices based on these dilute nitrides

  19. Insight into point defects and impurities in titanium from first principles

    Science.gov (United States)

    Nayak, Sanjeev K.; Hung, Cain J.; Sharma, Vinit; Alpay, S. Pamir; Dongare, Avinash M.; Brindley, William J.; Hebert, Rainer J.

    2018-03-01

    Titanium alloys find extensive use in the aerospace and biomedical industries due to a unique combination of strength, density, and corrosion resistance. Decades of mostly experimental research has led to a large body of knowledge of the processing-microstructure-properties linkages. But much of the existing understanding of point defects that play a significant role in the mechanical properties of titanium is based on semi-empirical rules. In this work, we present the results of a detailed self-consistent first-principles study that was developed to determine formation energies of intrinsic point defects including vacancies, self-interstitials, and extrinsic point defects, such as, interstitial and substitutional impurities/dopants. We find that most elements, regardless of size, prefer substitutional positions, but highly electronegative elements, such as C, N, O, F, S, and Cl, some of which are common impurities in Ti, occupy interstitial positions.

  20. Study of point defects in pure iron by means of electrical resistivity

    International Nuclear Information System (INIS)

    Minier-Cassayre, C.

    1965-04-01

    In the first part of this work, after having reviewed the production, observation and the annealing of point defects In metals, we resume the present state of research. In the second part, we explain the techniques we have employed to produce point defects at low temperatures: irradiation, quenching and cold-work; and go on to the study of their migration and annealing. The experimental results obtained for pure iron and for iron containing certain impurities are presented in the third part. In the fourth part we suggest a model which explains the different stages of annealing observed, and their properties. We then compare the energies of interaction between point defects with the values deduced from the theory of elasticity. (author) [fr

  1. Study of Te Inclusion and Related Point Defects in THM-Growth CdMnTe Crystal

    Science.gov (United States)

    Mao, Yifei; Zhang, Jijun; Min, Jiahua; Liang, Xiaoyan; Huang, Jian; Tang, Ke; Ling, Liwen; Li, Ming; Zhang, Ying; Wang, Linjun

    2018-02-01

    This study establishes a model for describing the interaction between Te inclusions, dislocations and point defects in CdMnTe crystals. The role of the complex environment surrounding the formation of Te inclusions was analyzed. Images of Te inclusions captured by scanning electron microscope and infrared microscope were used to observe the morphology of Te inclusions. The morphology of Te inclusions is discussed in light of crystallography, from the crystal growth temperature at 900°C to the melting temperature of Te inclusions using the traveling heater method. The dislocation nets around Te inclusions were calculated by counting lattice mismatches between the Te inclusions and the bulk CdMnTe at 470°C. The point defects of Te antisites were found to be gathered around Te inclusions, with dislocation climb during the cooling phase of crystal growth from 470°C to room temperature. The Te inclusions, dislocation nets and surrounding point defects are considered to be an entirety for evaluating the effect of Te inclusions on CdMnTe detector performance, and an effective mobility-lifetime product (μτ) was obtained.

  2. Modelling of thermal field and point defect dynamics during silicon single crystal growth using CZ technique

    Science.gov (United States)

    Sabanskis, A.; Virbulis, J.

    2018-05-01

    Mathematical modelling is employed to numerically analyse the dynamics of the Czochralski (CZ) silicon single crystal growth. The model is axisymmetric, its thermal part describes heat transfer by conduction and thermal radiation, and allows to predict the time-dependent shape of the crystal-melt interface. Besides the thermal field, the point defect dynamics is modelled using the finite element method. The considered process consists of cone growth and cylindrical phases, including a short period of a reduced crystal pull rate, and a power jump to avoid large diameter changes. The influence of the thermal stresses on the point defects is also investigated.

  3. FIBER OPTICS: Role of point defects in the photosensitivity of hydrogen-loaded phosphosilicate glass

    Science.gov (United States)

    Larionov, Yu V.

    2010-08-01

    It is shown that point defect modifications in hydrogen-loaded phosphosilicate glass (PSG) do not play a central role in determining its photosensitivity. Photochemical reactions that involve a two-step point defect modification and pre-exposure effect are incapable of accounting for photoinduced refractive index changes. It seems likely that a key role in UV-induced refractive index modifications is played by structural changes in the PSG network. Experimental data are presented that demonstrate intricate network rearrangement dynamics during UV exposure of PSG.

  4. Effects of point defect trapping and solute segregation on irradiation-induced swelling and creep

    International Nuclear Information System (INIS)

    Mansur, L.K.

    1978-01-01

    The theory of irradiation swelling and creep, generalized to include impurity trapping of point defects and impurity-induced changes in sink efficiencies for point defects, is reviewed. The mathematical framework is developed and significant results are described. These include the relation between vacancy and interstitial trapping and the effectiveness of trapping as compared to segregation-induced changes in sink efficiencies in modifying void nucleation, void growth, and creep. Current understanding is critically assessed. Several areas requiring further development are identified. In particular those given special attention are the treatment of nondilute solutions and the consequences of current uncertainties in fundamental materials properties whose importance has been identified using the theory

  5. Prediction of high-temperature point defect formation in TiO2 from combined ab initio and thermodynamic calculations

    International Nuclear Information System (INIS)

    He, J.; Behera, R.K.; Finnis, M.W.; Li, X.; Dickey, E.C.; Phillpot, S.R.; Sinnott, S.B.

    2007-01-01

    A computational approach that integrates ab initio electronic structure and thermodynamic calculations is used to determine point defect stability in rutile TiO 2 over a range of temperatures, oxygen partial pressures and stoichiometries. Both donors (titanium interstitials and oxygen vacancies) and acceptors (titanium vacancies) are predicted to have shallow defect transition levels in the electronic-structure calculations. The resulting defect formation energies for all possible charge states are then used in thermodynamic calculations to predict the influence of temperature and oxygen partial pressure on the relative stabilities of the point defects. Their ordering is found to be the same as temperature increases and oxygen partial pressure decreases: titanium vacancy → oxygen vacancy → titanium interstitial. The charges on these defects, however, are quite sensitive to the Fermi level. Finally, the combined formation energies of point defect complexes, including Schottky, Frenkel and anti-Frenkel defects, are predicted to limit the further formation of point defects

  6. First-principles study of point defects in CePO{sub 4} monazite

    Energy Technology Data Exchange (ETDEWEB)

    Yi, Yong; Zhao, Xiaofeng [State Key Laboratory Cultivation Base for Nonmetal Composites and Functional Materials, Southwest University of Science and Technology, Mianyang 621010 (China); Teng, Yuancheng, E-mail: tyc239@163.com [State Key Laboratory Cultivation Base for Nonmetal Composites and Functional Materials, Southwest University of Science and Technology, Mianyang 621010 (China); Bi, Beng [Joint Laboratory for Extreme Conditions Matter Properties, Southwest University of Science and Technology, Mianyang 621010 (China); Wang, Lili [Institute of Computer Application, China Academy of Engineering Physics, Mianyang 621900 (China); Wu, Lang; Zhang, Kuibao [State Key Laboratory Cultivation Base for Nonmetal Composites and Functional Materials, Southwest University of Science and Technology, Mianyang 621010 (China)

    2016-12-15

    CePO{sub 4} monazite is an important radiation-resistant material that may act as a potential minor actinides waste form. Here, we present the results of the calculations for the basic radiation defect modellings in CePO{sub 4} crystals, along with the examination of their defect formation energies and effect of the defect concentrations. This study focused on building a fully-relaxed CePO{sub 4} model with the step iterative optimization from the DFT-GGA calculations using the VASP and CASTEP databases. The results show that the Frenkel defect configuration resulting from the center interstitials has a lower energy when compared to two adjacent orthophosphate centers (the saddle point position). High formation energies were found for all the types of intrinsic Frenkel and vacancy defects. The formation energies conform to the following trend (given in the decreasing order of energy): Ce Frenkel (12.41 eV) > O Frenkel (11.02 eV) > Ce vacancy (9.09 eV) > O vacancy (6.69 eV). We observed almost no effect from the defect concentrations on the defect formation energies.

  7. Study of the point defects formed in cobalt by electron bombardment

    International Nuclear Information System (INIS)

    Sulpice, G.

    1968-12-01

    A study of the point defects formed in cobalt by electron bombardment is presented. The results are compared with those previously obtained for two other ferromagnetic metals of different structure, iron and nickel. In the first part we give a review of the literature concerning the creation of point defects, their contribution to resistivity and their annihilation mode in the three structure types. We then describe the experimental techniques adapted, in particular the study of the resistivity increase during a linear temperature rise. Our investigations concern the following, essential points : the observation of the successive annihilation stages of the point defects formed in pure cobalt, a study of the variations with respect to the doses and energy of the incident particles, and the determination of the annealing kinetics and the corresponding activation energies. The results are finally compared with the various models of point defect annihilation proposed for other metals: none of these interpretations is in perfect agreement with our results. In the case of cobalt we are thus led to modify the model proposed by our laboratory for iron an nickel. The difference between these three metals is explained by the anisotropic character of the cobalt matrix. (author) [fr

  8. Point defects and precipitation phenomena in Cu-Zn-Al alloys. A study by positrons annihilation

    International Nuclear Information System (INIS)

    Romero, R.; Salgueiro, W.; Somoza, A.; Ahlers, M.H.

    1990-01-01

    Monocrystalline phase Cu-Zn-Al samples in phase β (derived from a bcc structure) were treated with different homogenization thermal treatments, isothermal annealing, and tempering at different time intervals. In this way, point defects are fixed and gamma phase precipitation is induced. The evolution of this technique's characteristic parameters was followed with positron annihilation temporal spectroscopy at room temperature. Owing to the extreme sensitivity of positrons to defects like vacancies, it is possible to study the migration of these defects in detail. It can be seen that the presence of precipitates within the matrix phase modifies the annihilation parameters. Results are discussed as a function of the standard model for positron trapping by defects. (Author). 9 refs., 4 figs

  9. On the Enthalpy and Entropy of Point Defect Formation in Crystals

    Science.gov (United States)

    Kobelev, N. P.; Khonik, V. A.

    2018-03-01

    A standard way to determine the formation enthalpy H and entropy S of point defect formation in crystals consists in the application of the Arrhenius equation for the defect concentration. In this work, we show that a formal use of this method actually gives the effective (apparent) values of these quantities, which appear to be significantly overestimated. The underlying physical reason lies in temperature-dependent formation enthalpy of the defects, which is controlled by temperature dependence of the elastic moduli. We present an evaluation of the "true" H- and S-values for aluminum, which are derived on the basis of experimental data by taking into account temperature dependence of the formation enthalpy related to temperature dependence of the elastic moduli. The knowledge of the "true" activation parameters is needed for a correct calculation of the defect concentration constituting thus an issue of major importance for different fundamental and application issues of condensed matter physics and chemistry.

  10. Energetics of intrinsic point defects in uranium dioxide from electronic-structure calculations

    International Nuclear Information System (INIS)

    Nerikar, Pankaj; Watanabe, Taku; Tulenko, James S.; Phillpot, Simon R.; Sinnott, Susan B.

    2009-01-01

    The stability range of intrinsic point defects in uranium dioxide is determined as a function of temperature, oxygen partial pressure, and non-stoichiometry. The computational approach integrates high accuracy ab initio electronic-structure calculations and thermodynamic analysis supported by experimental data. In particular, the density functional theory calculations are performed at the level of the spin polarized, generalized gradient approximation and includes the Hubbard U term; as a result they predict the correct anti-ferromagnetic insulating ground state of uranium oxide. The thermodynamic calculations enable the effects of system temperature and partial pressure of oxygen on defect formation energy to be determined. The predicted equilibrium properties and defect formation energies for neutral defect complexes match trends in the experimental literature quite well. In contrast, the predicted values for charged complexes are lower than the measured values. The calculations predict that the formation of oxygen interstitials becomes increasingly difficult as higher temperatures and reducing conditions are approached

  11. Spectral dependence of point defect production by x rays in RbBr

    International Nuclear Information System (INIS)

    Brown, F.C.; Heald, S.M.; Jiang, D.; Brewe, D.L.; Kim, K.H.; Stern, E.A.

    1999-01-01

    F-center formation by monochromatic x rays has been studied above and below the bromine and rubidium K-absorption edges in crystals of RbBr. The x-ray beam from a double silicon crystal monochromator on an undulator at the Advanced Photon Source was used to produce these point defects, which were detected by a sensitive laser-induced luminescence method. Experiments were carried out over a wide range of monochromatic x-ray intensity, with emphasis on the nearly linear initial slope of defect formation with exposure. No significant increase in F-center formation efficiency was found upon crossing the bromine K edge, which indicates that additional Auger-cascade mechanisms do not appreciably add to the usual multiple ionization electron-hole recombination processes known to generate point defects. copyright 1999 The American Physical Society

  12. Influence of point defects' concentration on the ZnO matrix – a ...

    African Journals Online (AJOL)

    Numerical simulations of the effect of the presence of point defects in the matrix of ZnO were carried out using MATLAB computation procedure. The variation of impurity atom concentration with the energy gap was simulated. The plot obtained exhibited an exponential increase in energy gap with respect to the concentration ...

  13. Recent studies of point defects by Huang scattering of x rays

    International Nuclear Information System (INIS)

    Maeta, Hiroshi

    1977-01-01

    Huang scattering allows the measurements of the symmetry and strength of point defects produced by irradiations and constitutes a very sensitive method for observing the clustering that occurs during irradiations or annealings. In the present review, the principles and characteristics of the Huang scattering and recent investigations using this technique are described. [J.Cryst.Soc.Japan 19,231(1977)] (auth.)

  14. Trapping of point defects and segregation at the free surfaces of a metal sheet under irradiation

    International Nuclear Information System (INIS)

    Sarce, Alicia

    2003-01-01

    The migration of irradiation produced vacancies and interstitials to the free surfaces of a sheet of thickness d (pure metal and binary alloys AB of hcp structure) is calculated. For alloys, the irradiation temperature when no segregation exists (critical temperature) is obtained. The anisotropy of the diffusion of point defects in the hcp lattice is explicitly included in the calculations. (author)

  15. Point Defects in Two-Dimensional Layered Semiconductors: Physics and Its Applications

    Science.gov (United States)

    Suh, Joonki

    Recent advances in material science and semiconductor processing have been achieved largely based on in-depth understanding, efficient management and advanced application of point defects in host semiconductors, thus finding the relevant techniques such as doping and defect engineering as a traditional scientific and technological solution. Meanwhile, two- dimensional (2D) layered semiconductors currently draw tremendous attentions due to industrial needs and their rich physics at the nanoscale; as we approach the end of critical device dimensions in silicon-based technology, ultra-thin semiconductors have the potential as next- generation channel materials, and new physics also emerges at such reduced dimensions where confinement of electrons, phonons, and other quasi-particles is significant. It is therefore rewarding and interesting to understand and redefine the impact of lattice defects by investigating their interactions with energy/charge carriers of the host matter. Potentially, the established understanding will provide unprecedented opportunities for realizing new functionalities and enhancing the performance of energy harvesting and optoelectronic devices. In this thesis, multiple novel 2D layered semiconductors, such as bismuth and transition- metal chalcogenides, are explored. Following an introduction of conventional effects induced by point defects in semiconductors, the related physics of electronically active amphoteric defects is revisited in greater details. This can elucidate the complication of a two-dimensional electron gas coexisting with the topological states on the surface of bismuth chalcogenides, recently suggested as topological insulators. Therefore, native point defects are still one of the keys to understand and exploit topological insulators. In addition to from a fundamental science point of view, the effects of point defects on the integrated thermal-electrical transport, as well as the entropy-transporting process in

  16. Point defect properties of ternary fcc Fe-Cr-Ni alloys

    Energy Technology Data Exchange (ETDEWEB)

    Wróbel, J.S., E-mail: jan.wrobel@inmat.pw.edu.pl [Faculty of Materials Science and Engineering, Warsaw University of Technology, Woloska 141, 02-507 Warsaw (Poland); Nguyen-Manh, D.; Dudarev, S.L. [CCFE, Culham Science Centre, Abingdon, Oxon OX14 3DB (United Kingdom); Kurzydłowski, K.J. [Faculty of Materials Science and Engineering, Warsaw University of Technology, Woloska 141, 02-507 Warsaw (Poland)

    2017-02-15

    Highlights: • Properties of point defects depend on the local atomic environment. • As the degree of chemical order increases, the formation energies increase, too. • Relaxation volumes are larger for the more ordered structures. - Abstract: The properties of point defects in Fe-Cr-Ni alloys are investigated, using density functional theory (DFT), for two alloy compositions, Fe{sub 50}Cr{sub 25}Ni{sub 25} and Fe{sub 55}Cr{sub 15}Ni{sub 30}, assuming various degrees of short-range order. DFT-based Monte Carlo simulations are applied to explore short-range order parameters and generate representative structures of alloys. Chemical potentials for the relevant structures are estimated from the minimum of the substitutional energy at representative atoms sites. Vacancies and 〈1 0 0〉 dumbbells are introduced in the Fe{sub 2}CrNi intermetallic phase as well as in two Fe{sub 55}Cr{sub 15}Ni{sub 30} alloy structures: the disordered and short range-ordered structures, generated using Monte Carlo simulations at 2000 K and 300 K, respectively. Formation energies and relaxation volumes of defects as well as changes of magnetic moments caused by the presence of defects are investigated as functions of the local environment of a defect.

  17. Combining DFT, Cluster Expansions, and KMC to Model Point Defects in Alloys

    Science.gov (United States)

    Modine, N. A.; Wright, A. F.; Lee, S. R.; Foiles, S. M.; Battaile, C. C.; Thomas, J. C.; van der Ven, A.

    In an alloy, defect energies are sensitive to the occupations of nearby atomic sites, which leads to a distribution of defect properties. When radiation-induced defects diffuse from their initially non-equilibrium locations, this distribution becomes time-dependent. The defects can become trapped in energetically favorable regions of the alloy leading to a diffusion rate that slows dramatically with time. Density Functional Theory (DFT) allows the accurate determination of ground state and transition state energies for a defect in a particular alloy environment but requires thousands of processing hours for each such calculation. Kinetic Monte-Carlo (KMC) can be used to model defect diffusion and the changing distribution of defect properties but requires energy evaluations for millions of local environments. We have used the Cluster Expansion (CE) formalism to ``glue'' together these seemingly incompatible methods. The occupation of each alloy site is represented by an Ising-like variable, and products of these variables are used to expand quantities of interest. Once a CE is fit to a training set of DFT energies, it allows very rapid evaluation of the energy for an arbitrary configuration, while maintaining the accuracy of the underlying DFT calculations. These energy evaluations are then used to drive our KMC simulations. We will demonstrate the application of our DFT/MC/KMC approach to model thermal and carrier-induced diffusion of intrinsic point defects in III-V alloys. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract DE.

  18. Application of ENDOR-induced electron spin resonance to the study of point defects in solids

    International Nuclear Information System (INIS)

    Niklas, J.R.; Spaeth, J.M.

    1980-01-01

    The technique of ENDOR-induced ESR (EI-ESR) is applied to the investigation of several point defects in insulating crystals. It is shown that the lineshape of the EI-ESR spectrum depends on the ENDOR line used for the experiment. The EI-ESR technique allows the separation of overlapping ESR spectra in the presence of several defects. New applications are the selection of spin states and the determination of relative signs of spin-Hamiltonian parameters, the selection of centre orientations and the assignment of nuclei in complex ENDOR spectra, and the determination of quadrupole interactions which are not resolved in the ENDOR spectrum. (author)

  19. Fermi surface contours obtained from scanning tunneling microscope images around surface point defects

    International Nuclear Information System (INIS)

    Khotkevych-Sanina, N V; Kolesnichenko, Yu A; Van Ruitenbeek, J M

    2013-01-01

    We present a theoretical analysis of the standing wave patterns in scanning tunneling microscope (STM) images, which occur around surface point defects. We consider arbitrary dispersion relations for the surface states and calculate the conductance for a system containing a small-size tunnel contact and a surface impurity. We find rigorous theoretical relations between the interference patterns in the real-space STM images, their Fourier transforms and the Fermi contours of two-dimensional electrons. We propose a new method for reconstructing Fermi contours of surface electron states, directly from the real-space STM images around isolated surface defects. (paper)

  20. Formation Energies of Native Point Defects in Strained layer Superlattices (Postprint)

    Science.gov (United States)

    2017-06-05

    1215 Jefferson Davis Highway, Suite 1204, Arlington, VA 22202-4302. Respondents should be aware that notwithstanding any other provision of law , no...Hamiltonian, tight-binding Hamiltonian, and Green’s function techniques to obtain energy levels arising from native point defects (NPDs) in InAs-GaSb and...GaSb systems and 2 designs of InAs-InAs 0.7 Sb 0.3 systems lattice matched to GaSb substrate. The calculated defect levels not only agree well with

  1. Electronic and ionic conductivities and point defects in ytterbium sesquioxide at high temperature

    International Nuclear Information System (INIS)

    Carpentier, J.-L.; Lebrun, A.; Perdu, F.; Tellier, P.

    1982-01-01

    From the study of complex impedance diagrams applied to a symmetric cell Pt-Yb 2 O 3 -Pt, the authors have shown the mixed character of electrical conduction within the ytterbium sesquioxide. The measurements were performed at thermodynamic equilibrium in the temperature range from 1423 to 1623 K and the partial pressure of oxygen range from 10 -12 to 1 atm. The variations of ionic and electronic conductivity as a function of Psub(O 2 ) were interpreted in terms of four different point defects in the general case of a Frenkel disorder. The relative contributions and the activation energies of conduction of these different defects were determined. (author)

  2. Modification of electronic structure, magnetic structure, and topological phase of bismuthene by point defects

    Science.gov (United States)

    Kadioglu, Yelda; Kilic, Sevket Berkay; Demirci, Salih; Aktürk, O. Üzengi; Aktürk, Ethem; Ciraci, Salim

    2017-12-01

    This paper reveals how the electronic structure, magnetic structure, and topological phase of two-dimensional (2D), single-layer structures of bismuth are modified by point defects. We first showed that a free-standing, single-layer, hexagonal structure of bismuth, named h-bismuthene, exhibits nontrivial band topology. We then investigated interactions between single foreign adatoms and bismuthene structures, which comprise stability, bonding, electronic structure, and magnetic structures. Localized states in diverse locations of the band gap and resonant states in band continua of bismuthene are induced upon the adsorption of different adatoms, which modify electronic and magnetic properties. Specific adatoms result in reconstruction around the adsorption site. Single vacancies and divacancies can form readily in bismuthene structures and remain stable at high temperatures. Through rebondings, Stone-Whales-type defects are constructed by divacancies, which transform into a large hole at high temperature. Like adsorbed adatoms, vacancies induce also localized gap states, which can be eliminated through rebondings in divacancies. We also showed that not only the optical and magnetic properties, but also the topological features of pristine h-bismuthene can be modified by point defects. The modification of the topological features depends on the energies of localized states and also on the strength of coupling between point defects.

  3. A point particle model of lightly bound skyrmions

    Directory of Open Access Journals (Sweden)

    Mike Gillard

    2017-04-01

    Full Text Available A simple model of the dynamics of lightly bound skyrmions is developed in which skyrmions are replaced by point particles, each carrying an internal orientation. The model accounts well for the static energy minimizers of baryon number 1≤B≤8 obtained by numerical simulation of the full field theory. For 9≤B≤23, a large number of static solutions of the point particle model are found, all closely resembling size B subsets of a face centred cubic lattice, with the particle orientations dictated by a simple colouring rule. Rigid body quantization of these solutions is performed, and the spin and isospin of the corresponding ground states extracted. As part of the quantization scheme, an algorithm to compute the symmetry group of an oriented point cloud, and to determine its corresponding Finkelstein–Rubinstein constraints, is devised.

  4. Holographic Fabrication of Designed Functional Defect Lines in Photonic Crystal Lattice Using a Spatial Light Modulator

    Directory of Open Access Journals (Sweden)

    Jeffrey Lutkenhaus

    2016-04-01

    Full Text Available We report the holographic fabrication of designed defect lines in photonic crystal lattices through phase engineering using a spatial light modulator (SLM. The diffracted beams from the SLM not only carry the defect’s content but also the defect related phase-shifting information. The phase-shifting induced lattice shifting in photonic lattices around the defects in three-beam interference is less than the one produced by five-beam interference due to the alternating shifting in lattice in three beam interference. By designing the defect line at a 45 degree orientation and using three-beam interference, the defect orientation can be aligned with the background photonic lattice, and the shifting is only in one side of the defect line, in agreement with the theory. Finally, a new design for the integration of functional defect lines in a background phase pattern reduces the relative phase shift of the defect and utilizes the different diffraction efficiency between the defect line and background phase pattern. We demonstrate that the desired and functional defect lattice can be registered into the background lattice through the direct imaging of designed phase patterns.

  5. Introduction and recovery of point defects in electron-irradiated ZnO

    International Nuclear Information System (INIS)

    Tuomisto, F.; Saarinen, K.; Look, D.C.; Farlow, G.C.

    2005-01-01

    We have used positron annihilation spectroscopy to study the introduction and recovery of point defects in electron-irradiated n-type ZnO. The irradiation (E el =2 MeV, fluence 6x10 17 cm -2 ) was performed at room temperature, and isochronal annealings were performed from 300 to 600 K. In addition, monochromatic illumination of the samples during low-temperature positron measurements was used in identification of the defects. We distinguish two kinds of vacancy defects: the Zn and O vacancies, which are either isolated or belong to defect complexes. In addition, we observe negative-ion-type defects, which are attributed to O interstitials or O antisites. The Zn vacancies and negative ions act as compensating centers and are introduced at a concentration [V Zn ]≅c ion ≅2x10 16 cm -3 . The O vacancies are introduced at a 10-times-larger concentration [V O ]≅3x10 17 cm -3 and are suggested to be isolated. The O vacancies are observed as neutral at low temperatures, and an ionization energy of 100 meV could be fitted with the help of temperature-dependent Hall data, thus indicating their deep donor character. The irradiation-induced defects fully recover after the annealing at 600 K, in good agreement with electrical measurements. The Zn vacancies recover in two separate stages, indicating that the Zn vacancies are parts of two different defect complexes. The O vacancies anneal simultaneously with the Zn vacancies at the later stage, with an activation energy of E V,O m =1.8±0.1 eV. The negative ions anneal out between the two annealing stages of the vacancies

  6. Point defects in hexagonal germanium carbide monolayer: A first-principles calculation

    International Nuclear Information System (INIS)

    Ersan, Fatih; Gökçe, Aytaç Gürhan; Aktürk, Ethem

    2016-01-01

    Highlights: • Semiconductor GeC turns into metal by introducing a carbon vacancy. • Semiconductor GeC becomes half-metal by a single Ge vacancy. • Band gap value of GeC system can be tuned in the range of 0.308–1.738 eV by antisite or Stone–Wales defects. - Abstract: On the basis of first-principles plane-wave calculations, we investigated the electronic and magnetic properties of various point defects including single Ge and C vacancies, Ge + C divacancy, Ge↔C antisites and the Stone–Wales (SW) defects in a GeC monolayer. We found that various periodic vacancy defects in GeC single layer give rise to crucial effects on the electronic and magnetic properties. The band gaps of GeC monolayer vary significantly from 0.308 eV to 1.738 eV due to the presence of antisites and Stone–Wales defects. While nonmagnetic ground state of semiconducting GeC turns into metal by introducing a carbon vacancy, it becomes half-metal by a single Ge vacancy with high magnetization (4 μ_B) value per supercell. All the vacancy types have zero net magnetic moments, except single Ge vacancy.

  7. Point defects in hexagonal germanium carbide monolayer: A first-principles calculation

    Energy Technology Data Exchange (ETDEWEB)

    Ersan, Fatih [Department of Physics, Adnan Menderes University, 09100 Aydın (Turkey); Gökçe, Aytaç Gürhan [Department of Physics, Adnan Menderes University, 09100 Aydın (Turkey); Department of Physics, Dokuz Eylül University, 35160 İzmir (Turkey); Aktürk, Ethem, E-mail: ethem.akturk@adu.edu.tr [Department of Physics, Adnan Menderes University, 09100 Aydın (Turkey); Nanotechnology Application and Research Center, Adnan Menderes University, 09100 Aydın (Turkey)

    2016-12-15

    Highlights: • Semiconductor GeC turns into metal by introducing a carbon vacancy. • Semiconductor GeC becomes half-metal by a single Ge vacancy. • Band gap value of GeC system can be tuned in the range of 0.308–1.738 eV by antisite or Stone–Wales defects. - Abstract: On the basis of first-principles plane-wave calculations, we investigated the electronic and magnetic properties of various point defects including single Ge and C vacancies, Ge + C divacancy, Ge↔C antisites and the Stone–Wales (SW) defects in a GeC monolayer. We found that various periodic vacancy defects in GeC single layer give rise to crucial effects on the electronic and magnetic properties. The band gaps of GeC monolayer vary significantly from 0.308 eV to 1.738 eV due to the presence of antisites and Stone–Wales defects. While nonmagnetic ground state of semiconducting GeC turns into metal by introducing a carbon vacancy, it becomes half-metal by a single Ge vacancy with high magnetization (4 μ{sub B}) value per supercell. All the vacancy types have zero net magnetic moments, except single Ge vacancy.

  8. Fundamental investigation of point defect interactions in FE-CR alloys

    International Nuclear Information System (INIS)

    Wirth, B.D.; Lee, H.J.; Wong, K.

    2008-01-01

    Full text of publication follows. Fe-Cr alloys are a leading candidate material for structural applications in Generation TV and fusion reactors, and there is a relatively large database on their irradiation performance. However, complete understanding of the response of Fe-Cr alloys to intermediate-to-high temperature irradiation, including the radiation induced segregation of Cr, requires knowledge of point defect and point defect cluster interactions with Cr solute atoms and impurities. We present results from a hierarchical multi-scale modelling approach of defect cluster behaviour in Fe-Cr alloys. The modelling includes ab initio electronic structure calculations performed using the VASP code with projector-augmented electron wave functions using PBE pseudo-potentials and a collinear treatment of magnetic spins, molecular dynamics using semi-empirical Finnic-Sinclair type potentials, and kinetic Monte Carlo simulations of coupled defect and Cr transport responsible for microstructural evolution. The modelling results are compared to experimental observations in both binary Fe-Cr and more complex ferritic-martensitic alloys, and provide a basis for understanding a dislocation loop evolution and the observations of Cr enrichment and depletion at grain boundaries in various irradiation experiments. (authors)

  9. Thermodynamics of diffusion under pressure and stress: Relation to point defect mechanisms

    International Nuclear Information System (INIS)

    Aziz, M.J.

    1997-01-01

    A thermodynamic formalism is developed for illuminating the predominant point defect mechanism of self- and impurity diffusion in silicon and is used to provide a rigorous basis for point defect-based interpretation of diffusion experiments in biaxially strained epitaxial layers in the Si endash Ge system. A specific combination of the hydrostatic and biaxial stress dependences of the diffusivity is ±1 times the atomic volume, depending upon whether the predominant mechanism involves vacancies or interstitials. Experimental results for Sb diffusion in biaxially strained Si endash Ge films and ab initio calculations of the activation volume for Sb diffusion by a vacancy mechanism are in quantitative agreement with no free parameters. Key parameters are identified that must be measured or calculated for a quantitative test of interstitial-based mechanisms. copyright 1997 American Institute of Physics

  10. Simulation of the accumulation kinetics for radiation point defects in a metals with impurity

    International Nuclear Information System (INIS)

    Iskakov, B.M.; Nurova, A.B.

    2001-01-01

    In the work a kinetics of vacancies (V) and interstitial atoms (IA) accumulation for cases when the V and IA are recombining with each other, absorbing by drain and capturing by impurity atoms has been simulated. The differential equations system numerical solution was carried out by the Runge-Kutta method. The dynamical equilibrium time achievement for the point radiation defects accumulation process in the metal with impurity is considered

  11. The effect of point defects on ferroelastic phase transition of lanthanum-doped calcium titanate ceramics

    International Nuclear Information System (INIS)

    Ni, Yan; Zhang, Zhen; Wang, Dong; Wang, Yu; Ren, Xiaobing

    2013-01-01

    Highlights: ► The effect of point defects on phase transitions in Ca (1−x) La 2x/3 TiO 3 was studied. ► When x = 0.45, normal ferroelastic phase transition happens. ► When x = 0.7, a “glassy-like” frozen process appears. ► Point defects weaken the thermodynamic stability of ferroelastic phase. ► Point defects induce a “glassy-like” frozen process. -- Abstract: In the present paper, La-doped CaTiO 3 is studied to investigate the effect of point defects on ferroelastic phase transition of the ceramics. The dynamic mechanical measurements show that the transition temperature of the orthorhombic to tetragonal phase transition of Ca (1−x) La 2x/3 TiO 3 decreases with increasing dopant (La) concentration x. The samples with the dopant content of x = 0.45 and 0.7 exhibit different structure evolution features during their transition processes as revealed by in situ powder X-ray diffraction (XRD) measurement. Moreover, when x = 0.7, the storage modulus shows a frequency-dependent minimum at T g , which can be well fitted with the Vogel–Fulcher relation, and the corresponding internal friction also exhibits a frequency-dependent peak within the same temperature regime. These results thus indicate that doping La suppresses ferroelastic phase transition in CaTiO 3 and induces a “glassy-like” behavior in Ca (1−x) La 2x/3 TiO 3 , which is similar to “strain glass” in Ni-doped Ti 50−x Ni 50+x

  12. Effects of extrinsic point defects in phosphorene: B, C, N, O and F Adatoms

    OpenAIRE

    Wang, Gaoxue; Pandey, Ravindra; Karna, Shashi P.

    2015-01-01

    Phosphorene is emerging as a promising 2D semiconducting material with a direct band gap and high carrier mobility. In this paper, we examine the role of the extrinsic point defects including surface adatoms in modifying the electronic properties of phosphorene using density functional theory. The surface adatoms considered are B, C, N, O and F with a [He] core electronic configuration. Our calculations show that B and C, with electronegativity close to P, prefer to break the sp3 bonds of pho...

  13. Electrically active point defects in Mg implanted n-type GaN grown by metal-organic chemical vapor deposition

    Science.gov (United States)

    Alfieri, G.; Sundaramoorthy, V. K.; Micheletto, R.

    2018-05-01

    Magnesium (Mg) is the p-type doping of choice for GaN, and selective area doping by ion implantation is a routine technique employed during device processing. While electrically active defects have been thoroughly studied in as-grown GaN, not much is known about defects generated by ion implantation. This is especially true for the case of Mg. In this study, we carried out an electrical characterization investigation of point defects generated by Mg implantation in GaN. We have found at least nine electrically active levels in the 0.2-1.2 eV energy range, below the conduction band. The isochronal annealing behavior of these levels showed that most of them are thermally stable up to 1000 °C. The nature of the detected defects is then discussed in the light of the results found in the literature.

  14. Intrinsic point defects in inorganic perovskite CsPbI3 from first-principles prediction

    KAUST Repository

    Li, Yifan

    2017-10-19

    Cubic inorganic perovskite CsPbI3 is a direct bandgap semiconductor, which is promising for optoelectronic applications, such as solar cells, light emitting diodes, and lasers. The intrinsic defects in semiconductors play crucial roles in determining carrier conductivity, the efficiency of carrier recombination, and so on. However, the thermodynamic stability and intrinsic defect physics are still unclear for cubic CsPbI3. By using the first-principles calculations, we study the thermodynamic process and find out that the window for CsPbI3 growth is quite narrow and the concentration of Cs is important for cubic CsPbI3 growth. Under Pb-rich conditions, VPb and VI can pin the Fermi energy in the middle of the bandgap, which results in a low carrier concentration. Under Pb-poor conditions, VPb is the dominant defect and the material has a high concentration of hole carriers with a long lifetime. Our present work gives an insight view of the defect physics of cubic CsPbI3 and will be beneficial for optoelectronic applications based on cubic CsPbI3 and other analogous inorganic perovskites.

  15. Intrinsic point defects in inorganic perovskite CsPbI3 from first-principles prediction

    KAUST Repository

    Li, Yifan; Zhang, Chenhui; Zhang, Xixiang; Huang, Dan; Shen, Qian; Cheng, Yingchun; Huang, Wei

    2017-01-01

    Cubic inorganic perovskite CsPbI3 is a direct bandgap semiconductor, which is promising for optoelectronic applications, such as solar cells, light emitting diodes, and lasers. The intrinsic defects in semiconductors play crucial roles in determining carrier conductivity, the efficiency of carrier recombination, and so on. However, the thermodynamic stability and intrinsic defect physics are still unclear for cubic CsPbI3. By using the first-principles calculations, we study the thermodynamic process and find out that the window for CsPbI3 growth is quite narrow and the concentration of Cs is important for cubic CsPbI3 growth. Under Pb-rich conditions, VPb and VI can pin the Fermi energy in the middle of the bandgap, which results in a low carrier concentration. Under Pb-poor conditions, VPb is the dominant defect and the material has a high concentration of hole carriers with a long lifetime. Our present work gives an insight view of the defect physics of cubic CsPbI3 and will be beneficial for optoelectronic applications based on cubic CsPbI3 and other analogous inorganic perovskites.

  16. Study of point defect mobilities in zirconium during electron irradiation in a HVEM

    International Nuclear Information System (INIS)

    Griffiths, M.

    1993-01-01

    A high voltage electron microscope (HVEM) was used to investigate the nature of intrinsic point defects in α-Zr by direct observation of dislocation climb and cavity growth or shrinkage. The material used was Marz-grade Zr that had been pre-irradiated with neutrons at about 740 K in the Dounreay Fast Reactor. Dislocation loops of vacancy character that had been produced during the neutron irradiation were studied by further irradiation with electrons in the HVEM. Growth of the loops was observed at temperatures as low as 230 K, indicating that, under the conditions of the experiment, some vacancy-type defects were mobile in the temperature regime 230 K-300 K. The nature of these defects is unknown. One possibility is that these defects are not intrinsic in nature, but may be vacancy-Fe complexes. In addition to the climb of dislocation loops, c-component network dislocations and cavities were also studied. Basal plane climb of the network dislocations was observed at 573 K, but was not readily apparent at 320 K. This suggests that preferred climb planes (and possibly loop habit planes) are sensitive to temperature. Cavities that were already in the foil after neutron irradiation or were induced by electron irradiation grew along the c-axis and shrank along a-directions during electron irradiation. This radiation-induced shape change of the cavities strongly suggests the existence of a diffusional anisotropy difference between interstitials and vacancies in α-Zr. (Author) 14 figs., 22 refs

  17. Point-Defect Nature of the Ultraviolet Absorption Band in AlN

    Science.gov (United States)

    Alden, D.; Harris, J. S.; Bryan, Z.; Baker, J. N.; Reddy, P.; Mita, S.; Callsen, G.; Hoffmann, A.; Irving, D. L.; Collazo, R.; Sitar, Z.

    2018-05-01

    We present an approach where point defects and defect complexes are identified using power-dependent photoluminescence excitation spectroscopy, impurity data from SIMS, and density-functional-theory (DFT)-based calculations accounting for the total charge balance in the crystal. Employing the capabilities of such an experimental computational approach, in this work, the ultraviolet-C absorption band at 4.7 eV, as well as the 2.7- and 3.9-eV luminescence bands in AlN single crystals grown via physical vapor transport (PVT) are studied in detail. Photoluminescence excitation spectroscopy measurements demonstrate the relationship between the defect luminescent bands centered at 3.9 and 2.7 eV to the commonly observed absorption band centered at 4.7 eV. Accordingly, the thermodynamic transition energy for the absorption band at 4.7 eV and the luminescence band at 3.9 eV is estimated at 4.2 eV, in agreement with the thermodynamic transition energy for the CN- point defect. Finally, the 2.7-eV PL band is the result of a donor-acceptor pair transition between the VN and CN point defects since nitrogen vacancies are predicted to be present in the crystal in concentrations similar to carbon-employing charge-balance-constrained DFT calculations. Power-dependent photoluminescence measurements reveal the presence of the deep donor state with a thermodynamic transition energy of 5.0 eV, which we hypothesize to be nitrogen vacancies in agreement with predictions based on theory. The charge state, concentration, and type of impurities in the crystal are calculated considering a fixed amount of impurities and using a DFT-based defect solver, which considers their respective formation energies and the total charge balance in the crystal. The presented results show that nitrogen vacancies are the most likely candidate for the deep donor state involved in the donor-acceptor pair transition with peak emission at 2.7 eV for the conditions relevant to PVT growth.

  18. Controlled Defects of Zinc Oxide Nanorods for Efficient Visible Light Photocatalytic Degradation of Phenol

    Directory of Open Access Journals (Sweden)

    Jamal Al-Sabahi

    2016-03-01

    Full Text Available Environmental pollution from human and industrial activities has received much attention as it adversely affects human health and bio-diversity. In this work we report efficient visible light photocatalytic degradation of phenol using supported zinc oxide (ZnO nanorods and explore the role of surface defects in ZnO on the visible light photocatalytic activity. ZnO nanorods were synthesized on glass substrates using a microwave-assisted hydrothermal process, while the surface defect states were controlled by annealing the nanorods at various temperatures and were characterized by photoluminescence and X-ray photoelectron spectroscopy. High performance liquid chromatography (HPLC was used for the evaluation of phenol photocatalytic degradation. ZnO nanorods with high surface defects exhibited maximum visible light photocatalytic activity, showing 50% degradation of 10 ppm phenol aqueous solution within 2.5 h, with a degradation rate almost four times higher than that of nanorods with lower surface defects. The mineralization process of phenol during degradation was also investigated, and it showed the evolution of different photocatalytic byproducts, such as benzoquinone, catechol, resorcinol and carboxylic acids, at different stages. The results from this study suggest that the presence of surface defects in ZnO nanorods is crucial for its efficient visible light photocatalytic activity, which is otherwise only active in the ultraviolet region.

  19. Contribution to the study of point defects formed in nickel by electron bombardment

    International Nuclear Information System (INIS)

    Oddou, J.L.

    1968-12-01

    After a short account of the experimental techniques employed in our studies, the experimental results obtained on pure nickel samples are exposed. The apparition of the successive annihilation stages of point defects created by electron bombardment is established by isochronal heat treatments: the annihilation kinetics and the corresponding activation energies are determined. The effect of the incident particle doses is also studied. The experimental results are then compared with R.A. Johnson's theoretical calculations of the stability and the migration of point defects in nickel, and taking into account the results obtained by Peretto in magnetic after effect measurements. This leads us to a model in good agreement with calculations and experiment for the first stages. In a second chapter the behaviour of nickel doped by certain impurities is studied. First, the results concerning the rate of increase of resistivity (function of sample purity) is investigated. Two possible explanations of the observed phenomenon are proposed: either a deviation with respect to Mathiessen's law, or an increase of the number of defects formed in the presence of impurity atoms. Finally, a study of the resistivity recovery of the doped samples permits us to suggest an order of magnitude for the binding energy interstitial/impurity atom in the nickel matrix. (author) [fr

  20. Investigation of point defects diffusion in bcc uranium and U–Mo alloys

    International Nuclear Information System (INIS)

    Smirnova, D.E.; Kuksin, A.Yu.; Starikov, S.V.

    2015-01-01

    We present results of investigation of point defects formation and diffusion in pure γ-U and γ-U–Mo fuel alloys. The study was performed using molecular dynamics simulation with the different interatomic potentials. The point defects formation and migration energies were estimated for bcc γ-U and U–9 wt.%Mo alloy. The calculated diffusivities of atoms via defects are provided for pure γ-U and for the alloy components. Analysis of simulation results shows that self-interstitial atoms play a leading role in the self-diffusion processes in the materials studied. This fact can explain a remarkably high self-diffusion mobility observed experimentally for γ-U. The self-diffusion coefficients in γ-U calculated in this assumption agree with the data measured experimentally. It is shown that alloying of γ-U with Mo increase formation energy for self-interstitial atoms and decelerate their mobility. These changes lead to decrease of self-diffusion coefficients in U–Mo alloy compared to pure U

  1. Electron radiation damage of metals and nature of point defects by high voltage electron microscopy

    International Nuclear Information System (INIS)

    Kiritani, M.

    1975-01-01

    The formation of point defect clusters by electron irradiation in a variety of metals (Al, Au, Cu, Fe, Ni, Mo, Pt, W) in a wide range of temperatures 10 to 1000 0 K are observed. A unified explanation is given for their nucleation and growth from the viewpoint of the migration and interaction of point defects. The effect of free surfaces and other permanent sinks are examined. Analysis of the systematic variation of the nucleation of interstitial clustered defects lead to confirm the free migration of interstitials with fairly small activation energies. Their apparent values obtained from the impurity sensitive nucleation at medium temperatures are 0.08 (Al), 0.19 (Au), 0.26 (Fe), 0.18 (Mo) and 0.21 eV (W), and their values obtained from low temperature irradiation are 0.03 (Al), 0.04 (Au) and 0.05 eV (Mo). The trapping of interstitials by foreign atoms and heterogeneous effects on nucleation of interstitial clusters are discussed

  2. Nonlinear electron-density distribution around point defects in simple metals. I. Formulation

    International Nuclear Information System (INIS)

    Gupta, A.K.; Jena, P.; Singwi, K.S.

    1978-01-01

    Modification, which is exact in the limit of long wavelength, of the nonlinear theory of Sjoelander and Stott of electron distribution around point defects is given. This modification consists in writing a nonlinear integral equations for the Fourier transform γ 12 (q) of the induced charge density surrounding the point defect, which includes a term involving the density derivative of γ 12 (q). A generalization of the Pauli-Feynman coupling-constant-integration method, together with the Kohn-Sham formalism, is used to exactly determine the coefficient of this derivative term in the long-wavelength limit. The theory is then used to calculate electron-density profiles around a vacancy, an eight-atom void, and a point ion. The results are compared with those of (i) a linear theory, (ii) Sjoelander-Stott theory, and (iii) a fully self-consistent calculation based on the density-functional formalism of Kohn and Sham. It is found that in the case of a vacancy, the results of the present theory are in very good agreement with those based on Kohn-Sham formalism, whereas in the case of a singular attractive potential of a proton, the results are quite poor in the vicinity of the proton, but much better for larger distances. A critical discussion of the theory vis a vis the Kohn-Sham formalism is also given. Some applications of the theory are pointed out

  3. Point defects and irradiation in oxides: simulations at the atomic scale

    International Nuclear Information System (INIS)

    Crocombette, J.P.

    2005-11-01

    The author gives an overview of his research activity since 1995. This activity concerns research in materials science, and more particularly the ageing of oxides present in the nuclear industry, or more generally, the evolution of these materials under irradiation. The first part deals with the investigation of point defects, and more particularly of the structures and energies of these defects. The author discusses results obtained on uranium dioxide, on amorphous silica, and on the solution of oxygen in silver. The second part deals with irradiation-induced damages in crystalline matrices storing radioactive actinides, and more particularly with the effect of alpha disintegration decay nuclei which are the main sources of long term irradiation in these materials

  4. Impurity diffusion, point defect engineering, and surface/interface passivation in germanium

    KAUST Repository

    Chroneos, Alexander I.

    2012-01-26

    In recent years germanium has been emerging as a mainstream material that could have important applications in the microelectronics industry. The principle aim of this study is to review investigations of the diffusion of technologically important p- and n-type dopants as well as surface and interface passivation issues in germanium. The diffusion of impurities in germanium is interrelated to the formation of clusters whenever possible, and possibilities for point defect engineering are discussed in view of recent results. The importance of electrically active defects on the Ge surface and interfaces is addressed considering strategies to suppress them and to passivate the surfaces/interfaces, bearing in mind their importance for advanced devices. © 2012 by WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Flow speed measurement using two-point collective light scattering

    International Nuclear Information System (INIS)

    Heinemeier, N.P.

    1998-09-01

    Measurements of turbulence in plasmas and fluids using the technique of collective light scattering have always been plagued by very poor spatial resolution. In 1994, a novel two-point collective light scattering system for the measurement of transport in a fusion plasma was proposed. This diagnostic method was design for a great improvement of the spatial resolution, without sacrificing accuracy in the velocity measurement. The system was installed at the W7-AS steallartor in Garching, Germany, in 1996, and has been operating since. This master thesis is an investigation of the possible application of this new method to the measurement of flow speeds in normal fluids, in particular air, although the results presented in this work have significance for the plasma measurements as well. The main goal of the project was the experimental verification of previous theoretical predictions. However, the theoretical considerations presented in the thesis show that the method can only be hoped to work for flows that are almost laminar and shearless, which makes it of very small practical interest. Furthermore, this result also implies that the diagnostic at W7-AS cannot be expected to give the results originally hoped for. (au)

  6. Flow speed measurement using two-point collective light scattering

    Energy Technology Data Exchange (ETDEWEB)

    Heinemeier, N.P

    1998-09-01

    Measurements of turbulence in plasmas and fluids using the technique of collective light scattering have always been plagued by very poor spatial resolution. In 1994, a novel two-point collective light scattering system for the measurement of transport in a fusion plasma was proposed. This diagnostic method was design for a great improvement of the spatial resolution, without sacrificing accuracy in the velocity measurement. The system was installed at the W7-AS steallartor in Garching, Germany, in 1996, and has been operating since. This master thesis is an investigation of the possible application of this new method to the measurement of flow speeds in normal fluids, in particular air, although the results presented in this work have significance for the plasma measurements as well. The main goal of the project was the experimental verification of previous theoretical predictions. However, the theoretical considerations presented in the thesis show that the method can only be hoped to work for flows that are almost laminar and shearless, which makes it of very small practical interest. Furthermore, this result also implies that the diagnostic at W7-AS cannot be expected to give the results originally hoped for. (au) 1 tab., 51 ills., 29 refs.

  7. Transformation of point defects under annealing of neutron-irradiated Si and Si:Ge

    International Nuclear Information System (INIS)

    Pomozov, Yu.V.; Khirunenko, L.I.; Shakhovtsev, V.I.; Yashnik, V.I.

    1990-01-01

    Transformation of point radiation defects under isochronous annealing of neurton-irradaited Si and Si:Ge is studied. It is determined, that occurence of several new centers which produce A-centre range absorption bands is observed at annealing within 423-493 K temperature range. It is shown that vacancy and oxygen are included in the centers composition. It is found that VO centre transformation into VO 2 at annealing occurs via intermediate stage in contrast to that occuring in electron-irradiated crystals via VO direct diffusion to interstitial oxygen. Transformation of centers under Si ansd Si:Ge annealing occurs similarly

  8. Numerical simulation of a metal corrosion for a point defect for a organic protection layer

    International Nuclear Information System (INIS)

    Vautrin-Ul, Ch.; Chausse, A.; Stafiej, J.; Badiali, J.P.

    2005-01-01

    The safety of radioactive wastes disposal requires a big knowledge on their aging facing a corrosive environment. The corrosion is a complex phenomenon which implies many processes bound to the physic and the chemistry of the system. This approach proposes, from a little number of simple processes, numerical simulation which will define theses complex phenomenon. The presented model is a 2 dimension model at a mesoscopic scale and based on cellular automates. It allows the simulation of a metal evolution, protected by a polymer layer and in contact at one point with a corrosive media at a defect of the layer. (A.L.B.)

  9. First-principles study of point defects in solar cell semiconductor CuI

    International Nuclear Information System (INIS)

    Chen, Hui; Wang, Chong-Yu; Wang, Jian-Tao; Wu, Ying; Zhou, Shao-Xiong

    2013-01-01

    Hybrid density functional theory is used to study the formation energies and transition levels of point defects V Cu , V I , I Cu , Cu I , and O I in CuI. It is shown that the Heyd–Scuseria–Ernzerhof (HSE06) method can accurately describe the band gap of bulk CuI. As a solar cell material, we find that p-type semiconductor CuI can be obtained under the iodine-rich and copper-poor conditions. Our results are in good agreement with experiment and provide an excellent account for tuning the structural and electronic properties of CuI

  10. Atomistic simulation of the point defects in B2-type MoTa alloy

    International Nuclear Information System (INIS)

    Zhang Jianmin; Wang Fang; Xu Kewei; Ji, Vincent

    2009-01-01

    The formation and migration mechanisms of three different point defects (mono-vacancy, anti-site defect and interstitial atom) in B 2 -type MoTa alloy have been investigated by combining molecular dynamics (MD) simulation with modified analytic embedded-atom method (MAEAM). From minimization of the formation energy, we find that the anti-site defects Mo Ta and Ta Mo are easier to form than Mo and Ta mono-vacancies, while Mo and Ta interstitial atoms are difficult to form in the alloy. In six migration mechanisms of Mo and Ta mono-vacancies, one nearest-neighbor jump (1NNJ) is the most favorable due to its lowest activation and migration energies, but it will cause a disorder in the alloy. One next-nearest-neighbor jump (1NNNJ) and one third-nearest-neighbor jump (1TNNJ) can maintain the ordered property of the alloy but require higher activation and migration energies, so the 1NNNJ and 1TNNJ should be replaced by straight [1 0 0] six nearest-neighbor cyclic jumps (S[1 0 0]6NNCJ) or bent [1 0 0] six nearest-neighbor cyclic jumps (B[1 0 0]6NNCJ) and [1 1 0] six nearest-neighbor cyclic jumps ([1 1 0]6NNCJ), respectively. Although the migrations of Mo and Ta interstitial atoms need much lower energy than Mo and Ta mono-vacancies, they are not main migration mechanisms due to difficult to form in the alloy.

  11. Intrinsic point defects in zinc oxide. Modeling of structural, electronic, thermodynamic and kinetic properties

    Energy Technology Data Exchange (ETDEWEB)

    Erhart, P.

    2006-07-01

    The present dissertation deals with the modeling of zinc oxide on the atomic scale employing both quantum mechanical as well as atomistic methods. The first part describes quantum mechanical calculations based on density functional theory of intrinsic point defects in ZnO. To begin with, the geometric and electronic structure of vacancies and oxygen interstitials is explored. In equilibrium oxygen interstitials are found to adopt dumbbell and split interstitial configurations in positive and negative charge states, respectively. Semi-empirical self-interaction corrections allow to improve the agreement between the experimental and the calculated band structure significantly; errors due to the limited size of the supercells can be corrected by employing finite-size scaling. The effect of both band structure corrections and finite-size scaling on defect formation enthalpies and transition levels is explored. Finally, transition paths and barriers for the migration of zinc as well as oxygen vacancies and interstitials are determined. The results allow to interpret diffusion experiments and provide a consistent basis for developing models for device simulation. In the second part an interatomic potential for zinc oxide is derived. To this end, the Pontifix computer code is developed which allows to fit analytic bond-order potentials. The code is subsequently employed to obtain interatomic potentials for Zn-O, Zn-Zn, and O-O interactions. To demonstrate the applicability of the potentials, simulations on defect production by ion irradiation are carried out. (orig.)

  12. Effect of point defects on the thermal conductivity of UO2: molecular dynamics simulations

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xiang-Yang [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Stanek, Christopher Richard [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Andersson, Anders David Ragnar [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2015-07-21

    The thermal conductivity of uranium dioxide (UO2) fuel is an important materials property that affects fuel performance since it is a key parameter determining the temperature distribution in the fuel, thus governing, e.g., dimensional changes due to thermal expansion, fission gas release rates, etc. [1] The thermal conductivity of UO2 nuclear fuel is also affected by fission gas, fission products, defects, and microstructural features such as grain boundaries. Here, molecular dynamics (MD) simulations are carried out to determine quantitatively, the effect of irradiation induced point defects on the thermal conductivity of UO2, as a function of defect concentrations, for a range of temperatures, 300 – 1500 K. The results will be used to develop enhanced continuum thermal conductivity models for MARMOT and BISON by INL. These models express the thermal conductivity as a function of microstructure state-variables, thus enabling thermal conductivity models with closer connection to the physical state of the fuel [2].

  13. Statistical thermodynamics -- A tool for understanding point defects in intermetallic compounds

    International Nuclear Information System (INIS)

    Ipser, H.; Krachler, R.

    1996-01-01

    The principles of the derivation of statistical-thermodynamic models to interpret the compositional variation of thermodynamic properties in non-stoichiometric intermetallic compounds are discussed. Two types of models are distinguished: the Bragg-Williams type, where the total energy of the crystal is taken as the sum of the interaction energies of all nearest-neighbor pairs of atoms, and the Wagner-Schottky type, where the internal energy, the volume, and the vibrational entropy of the crystal are assumed to be linear functions of the numbers of atoms or vacancies on the different sublattices. A Wagner-Schottky type model is used for the description of two examples with different crystal structures: for β'-FeAl (with B2-structure) defect concentrations and their variation with composition are derived from the results of measurements of the aluminum vapor pressure, the resulting values are compared with results of other independent experimental methods; for Rh 3 Te 4 (with an NiAs-derivative structure) the defect mechanism responsible for non-stoichiometry is worked out by application of a theoretical model to the results of tellurium vapor pressure measurements. In addition it is shown that the shape of the activity curve indicates a certain sequence of superstructures. In principle, there are no limitations to the application of statistical thermodynamics to experimental thermodynamic data as long as these are available with sufficient accuracy, and as long as it is ensured that the distribution of the point defects is truly random, i.e. that there are no aggregates of defects

  14. Point Defect Properties of Cd(Zn)Te and TlBr for Room-Temperature Gamma Radiation Detectors

    Science.gov (United States)

    Lordi, Vincenzo

    2013-03-01

    The effects of various crystal defects in CdTe, Cd1-xZnxTe (CZT), and TlBr are critical for their performance as room-temperature gamma radiation detectors. We use predictive first principles theoretical methods to provide fundamental, atomic scale understanding of the defect properties of these materials to enable design of optimal growth and processing conditions, such as doping, annealing, and stoichiometry. Several recent cases will be reviewed, including (i) accurate calculations of the thermodynamic and electronic properties of native point defects and point defect complexes in CdTe and CZT; (ii) the effects of Zn alloying on the native point defect properties of CZT; (iii) point defect diffusion and binding related to Te clustering in Cd(Zn)Te; (iv) the profound effect of native point defects--principally vacancies--on the intrinsic material properties of TlBr, particularly electronic and ionic conductivity; (v) tailored doping of TlBr to independently control the electronic and ionic conductivity; and (vi) the effects of metal impurities on the electronic properties and device performance of TlBr detectors. Prepared by LLNL under Contract DE-AC52-07NA27344 with support from the National Nuclear Security Administration Office of Nonproliferation and Verification Research and Development NA-22.

  15. Complex Interaction Mechanisms between Dislocations and Point Defects Studied in Pure Aluminium by a Two-Wave Acoustic Coupling Technique

    Science.gov (United States)

    Bremnes, O.; Progin, O.; Gremaud, G.; Benoit, W.

    1997-04-01

    Ultrasonic experiments using a two-wave coupling technique were performed on 99.999% pure Al in order to study the interaction mechanisms occurring between dislocations and point defects. The coupling technique consists in measuring the attenuation of ultrasonic waves during low-frequency stress cycles (t). One obtains closed curves () called signatures whose shape and evolution are characteristic of the interaction mechanism controlling the low-frequency dislocation motion. The signatures observed were attributed to the interaction of the dislocations with extrinsic point defects. A new interpretation of the evolution of the signatures measured below 200 K with respect to temperature and stress frequency had to be established: they are linked to depinning of immobile point defects, whereas a thermally activated depinning mechanism does not fit the observations. The signatures measured between 200 and 370 K were interpreted as dragging and depinning of extrinsic point defects which are increasingly mobile with temperature.

  16. Estimation of the temperature dependent interaction between uncharged point defects in Si

    Energy Technology Data Exchange (ETDEWEB)

    Kamiyama, Eiji [Department of Communication Engineering, Okayama Prefectural University, 111 Kuboki, Soja-shi, Okayama-ken 719-1197 (Japan); GlobalWafers Japan Co., Ltd., 30 Soya, Hadano, Kanagawa, 257-8566 (Japan); Vanhellemont, Jan [Department of Solid State Sciences, Ghent University, Krijgslaan 281-S1, Ghent B-9000 (Belgium); Sueoka, Koji [Department of Communication Engineering, Okayama Prefectural University, 111 Kuboki, Soja-shi, Okayama-ken 719-1197 (Japan)

    2015-01-15

    A method is described to estimate the temperature dependent interaction between two uncharged point defects in Si based on DFT calculations. As an illustration, the formation of the uncharged di-vacancy V{sub 2} is discussed, based on the temperature dependent attractive field between both vacancies. For that purpose, all irreducible configurations of two uncharged vacancies are determined, each with their weight given by the number of equivalent configurations. Using a standard 216-atoms supercell, nineteen irreducible configurations of two vacancies are obtained. The binding energies of all these configurations are calculated. Each vacancy is surrounded by several attractive sites for another vacancy. The obtained temperature dependent of total volume of these attractive sites has a radius that is closely related with the capture radius for the formation of a di-vacancy that is used in continuum theory. The presented methodology can in principle also be applied to estimate the capture radius for pair formation of any type of point defects.

  17. Ab initio study of Cr interactions with point defects in bcc Fe

    International Nuclear Information System (INIS)

    Olsson, P.; Domain, Ch.; Wallenius, J.

    2008-01-01

    Full text of publication follows. Ferritic martensitic steels are candidate structural materials for fast neutron reactors, and in particular high-Cr reduced-activation steels. In Fe-Cr alloys, Cr plays a major role in the radiation-induced evolution of the mechanical properties. Using ab initio calculations based on density functional theory, the properties of Cr in α-Fe have been investigated. The intrinsic point defect formation energies were found to be larger in model bcc Cr as compared to those in ferromagnetic bcc Fe. The interactions of Cr with point defects (vacancy and self interstitials) have been characterised. Single Cr atoms interact weakly with vacancies but significantly with self-interstitial atoms. Mixed interstitials of any interstitial symmetry are bound. Configurations where two Cr atoms are in nearest neighbour position are generally unfavourable in bcc Fe except when they are a part of a interstitial complex. Mixed interstitials do not have as strong directional stability as pure Fe interstitials have. The effects on the results using the atom description scheme of either the ultrasoft pseudo-potential (USPP) or the projector augmented wave (PAW) formalisms are connected to the differences in local magnetic moments that the two methods predict. As expected for the Fe-Cr system, the results obtained using the PAW method are more reliable than the ones obtained with USPP. (authors)

  18. Raman study of the effect of LED light on grafted bone defects

    Science.gov (United States)

    Soares, Luiz G. G. P.; Aciole, Jouber M. S.; Aciole, Gilbeth T. S.; Barbosa, Artur F. S.; Silveira-Júnior, Landulfo; Pinheiro, Antônio L. B.

    2013-03-01

    Benefits of the isolated or combined use light and biomaterials on bone healing have been suggested. Our group has used several models to assess the effects of laser on bone. A Raman spectral analysis on surgical bone defects grafted or not with Hydroxyapatite (HA), treated or not with LED was carried out. 40 rats were divided into 4 groups. On Group I the defect was filled with the clot. On Group II, the defect was filled with the HA. On groups III the defect was filled with Clot and further irradiated with LED and on group IV the defects was filled with the HA and further irradiated with LED. LED (λ850 +/- 10nm, 150mW, A= 0.5cm2, 68s, 20 J/cm2 per session, 140 J/cm2 per treatment) was applied at 48 h intervals during 15 days. Specimens were taken after 15 and 30 days after surgery and kept on liquid nitrogen, and underwent Raman analysis. For this, the peak of hydroxyapatite (~960 cm-1) was used as marker of bone mineralization. Significant difference was observed at both times (p<0.05). When the biomaterial was used higher peaks were observed. Association with LED further improved the intensity. Conclusion: It is concluded that LED light improved the effect of the HA.

  19. Study of a radiation point defects ensemble in thin GaAs layers implanted by Be+ and Se+ ions

    International Nuclear Information System (INIS)

    Shcherbachev, K.D.; Bublik, V.T.; Kuripyatnik, A.V.; Yurchuk, S.Yu.

    2001-01-01

    The behaviour of a radiation point defects ensemble in SI-GaAs(100) wafers implanted by Be + (a dose of 1x10 14 at/cm 2 , an energy of 50 and 150 keV) and Se + (a dose of 5x10 14 at/cm 2 , an energy of 150, 180 and 240 keV) ions are studied by a triple-crystal diffractometry method. The strain profile and a number of residual radiation point defects are shown to be determined by defects annihilation, their sink to the surface and rechanneling during the implantation [ru

  20. Stress Concentration in the Bulk Cr2O3: Effects of Temperature and Point Defects

    Directory of Open Access Journals (Sweden)

    Mazharul M. Islam

    2017-01-01

    Full Text Available Modeling the growth and failure of passive oxide films formed on stainless steels is of general interest for the use of stainless steel as structural material and of special interest in the context of life time extension of light water reactors in nuclear power plants. Using the DFT+U approach, a theoretical investigation on the resistance to failure of the chromium-rich inner oxide layer formed at the surface of chromium-containing austenitic alloys (stainless steel and nickel based alloys has been performed. The investigations were done for periodic bulk models. The data at the atomic scale were extrapolated by using the Universal Binding Energy Relationships (UBERs model in order to estimate the mechanical behavior of a 10 μm thick oxide scale. The calculated stress values are in good agreement with experiments. Tensile stress for the bulk chromia was observed. The effects of temperature and structural defects on cracking were investigated. The possibility of cracking intensifies at high temperature compared to 0 K investigations. Higher susceptibility to cracking was observed in presence of defects compared to nondefective oxide, in agreement with experimental observation.

  1. Point defects in lithium fluoride films for micro-radiography, X-ray microscopy and photonic applications

    Energy Technology Data Exchange (ETDEWEB)

    Bonfigli, F.; Flora, F.; Marolo, T.; Montereali, R.M.; Baldacchini, G. [ENEA, UTS Tecnologie Fisiche Avanzate, C.R. Frascati, Via E. Fermi, 45, 00044 Frascati (Rome) (Italy); Faenov, A.Ya.; Pikuz, T.A. [MISDC of VNIIFTRI Mendeleevo, Moscow region, 141570 (Russian Federation); Nichelatti, E. [ENEA, UTS Tecnologie Fisiche Avanzate, C.R. Casaccia, Via Anguillarese, 301, 00060 Santa Maria di Galeria (Rome) (Italy); Reale, L. [Universita dell' Aquila e INFN, Dip. di Fisica, Coppito, L' Aquila (Italy)

    2005-01-01

    Point defects in lithium fluoride (LiF) have recently attracted renewed attention due the exciting results obtained in the realisation of miniaturised optical devices. Among light-emitting materials, LiF is of particular interest because it is almost not hygroscopic and can host, even at room temperature, stable color centers (CCs) that emit light in the visible and in the near infrared spectral range under optical excitation. The increasing demand for low-dimensionality photonic devices imposes the use of advanced irradiation methods for producing luminescent structures with high spatial resolution. An innovative irradiation technique to produce luminescent CCs in LiF crystals and films by using an extreme ultra-violet and soft X-ray laser-plasma source will be presented. This technique is capable to induce colored patterns with submicrometric spatial resolution on large areas in a short exposure time as compared with other irradiation methods. Luminescent regular arrays produced by this irradiation technique will be shown. Recently, the idea of using a LiF film as image detector for X-ray microscopy and micro-radiography based on optically-stimulated luminescence from CCs has been developed. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  2. Three-dimensional imaging of individual point defects using selective detection angles in annular dark field scanning transmission electron microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, Jared M.; Im, Soohyun; Windl, Wolfgang; Hwang, Jinwoo, E-mail: hwang.458@osu.edu

    2017-01-15

    We propose a new scanning transmission electron microscopy (STEM) technique that can realize the three-dimensional (3D) characterization of vacancies, lighter and heavier dopants with high precision. Using multislice STEM imaging and diffraction simulations of β-Ga{sub 2}O{sub 3} and SrTiO{sub 3}, we show that selecting a small range of low scattering angles can make the contrast of the defect-containing atomic columns substantially more depth-dependent. The origin of the depth-dependence is the de-channeling of electrons due to the existence of a point defect in the atomic column, which creates extra “ripples” at low scattering angles. The highest contrast of the point defect can be achieved when the de-channeling signal is captured using the 20–40 mrad detection angle range. The effect of sample thickness, crystal orientation, local strain, probe convergence angle, and experimental uncertainty to the depth-dependent contrast of the point defect will also be discussed. The proposed technique therefore opens new possibilities for highly precise 3D structural characterization of individual point defects in functional materials. - Highlights: • A new electron microscopy technique that can visualize 3D position of point defect is proposed. • The technique relies on the electron de-channeling signals at low scattering angles. • The technique enables precise determination of the depth of vacancies and lighter impurity atoms.

  3. Peculiarities of the point radiation defects accumulation in the fine- and ultra-disperse metallic media

    International Nuclear Information System (INIS)

    Aliev, B.A.; Zajkin, Yu.A.; Potapov, A.S.

    2004-01-01

    Fine-dispersive powders are a samples of solid systems. In which under irradiation the particle surface layers defect structure changes and has mostly an effect on structural transformations. Theoretical calculations and experimental data show, that the increased interstitials atoms concentration near particles surface during irradiation by either electrons or gamma quanta with energy about 1 MeV give rise to intensive pores healing. At the same time as the dense surface layer formation the pores healing leads to the brachiate borders system formation. The borders serve as pathways for accelerated diffusion. Sintering process and a metal recrystallization are stimulating as well. Both processes lead to the ordered super-structure formation which contributes the additional contribution in an improvement of the mechanical properties of a metal. A liner sizes of the ordered net depend on both the powder sizes and the irradiation conditions. The especial interest present a conditions for such superstructure formation (when the particle sizes are becoming so small (∼1 μm), that effect has being resulted on a defect-formation in the whole volume of a powder particle). In the considered case the point radiation defects accumulation kinetics in the metallic particle is analyzed on the ground of the equation system for atomic concentrations both interstitial atoms and vacancies. The numerical solution of this equation system shows, that particles sizes decline leads to considerable micro-pores healing increase and improvement of conditions for net strengthening. In dependence on irradiation conditions (temperature, dose and dose rate) the forming super-structure could have micro- and nano-sizes

  4. Defect controlled tuning of the ratio of ultraviolet to visible light emission in TiO2 thin films

    International Nuclear Information System (INIS)

    Mondal, S.; Basak, D.

    2016-01-01

    The photoluminescence (PL) of sol–gel TiO 2 thin film has been found to be largely dependent on the post-deposition processing such as annealing at 500 °C in air, vacuum and ultraviolet (UV) light curing at room temperature. A detailed analysis of room temperature PL spectra shows that the UV/VIS PL peak intensity ratio is maximum for the film which has been annealed at 500 °C in air. X-ray photoelectron spectroscopy confirms the presence of Ti 3+ type of point defects. The visible emission is deconvoluted to green and orange emissions. Analyses of the present experimental results indicate that V O and/or Ti 3+ causes the green emission and OH and/or excess O 2 adsorption on TiO 2 surface probably causes the orange emission. The time correlated single photon counting spectroscopy data of the UV PL indicates higher number defects in vacuum annealed and UV cured films as compared to the air annealed film. Correlation of the results altogether allows us to conclude that the surface defects those causing the visible emission are smaller in number in the air annealed film. The present results may be useful for tuning the relative PL intensities of UV, green and orange emissions. - Highlights: • Sol–gel TiO 2 films were treated both in air, vacuum at 500 °C and under UV light (room temperature). • UV/VIS PL intensity ratio is maximum for air annealed and minimum for UV cured films. • Both green and orange emission predominantly controls the visible emission of TiO 2 . • The visible emission exhibit a clear correlation with Ti 3+  defects on the surface.

  5. Summary Report of the Technical Meeting on Primary Radiation Damage: From Nuclear Reaction to Point Defects

    International Nuclear Information System (INIS)

    Stoller, R. E.; Nordlund, K.; Simakov, S.P.

    2012-11-01

    The Meeting was convened to bring together the experts from both the nuclear data and materials research communities because of their common objective of accurately characterizing irradiation environments and resulting material damage. The meeting demonstrated that significant uncertainties remain regarding both the status of nuclear data and the use of these data by the materials modeling community to determine the primary damage state obtained in irradiated materials. At the conclusion of the meeting, the participants agreed that there is clear motivation to initiate a CRP that engages participants from the nuclear data and materials research communities. The overall objective of this CRP would be to determine the best possible parameter (or a few parameters) for correlating damage from irradiation facilities with very different particle types and energy spectra, including fission and fusion reactors, charged particle accelerators, and spallation irradiation facilities. Regarding progress achieved during the last decade in the atomistic simulation of primary defects in crystalline materials, one of the essential and quantitative outcomes from the CRP is expected to be cross sections for point defects left after recoil cascade quenching. (author)

  6. Intrinsic point-defect balance in self-ion-implanted ZnO.

    Science.gov (United States)

    Neuvonen, Pekka T; Vines, Lasse; Svensson, Bengt G; Kuznetsov, Andrej Yu

    2013-01-04

    The role of excess intrinsic atoms for residual point defect balance has been discriminated by implanting Zn or O ions into Li-containing ZnO and monitoring Li redistribution and electrical resistivity after postimplant anneals. Strongly Li-depleted regions were detected in the Zn-implanted samples at depths beyond the projected range (R(p)) upon annealing ≥ 600 °C, correlating with a resistivity decrease. In contrast, similar anneals of the O-implanted samples resulted in Li accumulation at R(p) and an increased resistivity. Control samples implanted with Ar or Ne ions, yielding similar defect production as for the Zn or O implants but with no surplus of intrinsic atoms, revealed no Li depletion. Thus, the depletion of Li shows evidence of excess Zn interstitials (Zn(I)) being released during annealing of the Zn-implanted samples. These Zn(I)'s convert substitutional Li atoms (Li(Zn)) into highly mobile interstitial ones leading to the strongly Li-depleted regions. In the O-implanted samples, the high resistivity provides evidence of stable O(I)-related acceptors.

  7. The role of point defect clusters in reactor pressure vessel embrittlement

    International Nuclear Information System (INIS)

    Stoller, R.E.

    1993-01-01

    Radiation-induced point defect clusters (PDC) are a plausible source of matrix hardening in reactor pressure vessel (RPV) steels in addition to copper-rich precipitates. These PDCs can be of either interstitial or vacancy type, and could exist in either 2 or 3-D shapes, e.g. small loops, voids, or stacking fault tetrahedra. Formation and evolution of PDCs are primarily determined by displacement damage rate and irradiation temperature. There is experimental evidence that size distributions of these clusters are also influenced by impurities such as copper. A theoretical model has been developed to investigate potential role of PDCs in RPV embrittlement. The model includes a detailed description of interstitial cluster population; vacancy clusters are treated in a more approximate fashion. The model has been used to examine a broad range of irradiation and material parameters. Results indicate that magnitude of hardening increment due to these clusters can be comparable to that attributed to copper precipitates. Both interstitial and vacancy type defects contribute to this hardening, with their relative importance determined by the specific irradiation conditions

  8. Prediction and control of pillow defect in single point incremental forming using numerical simulations

    International Nuclear Information System (INIS)

    Isidore, B. B. Lemopi; Hussain, G.; Khan, Wasim A.; Shamachi, S. Pourhassan

    2016-01-01

    Pillows formed at the center of sheets in Single point incremental forming (SPIF) are fabrication defects which adversely affect the geometrical accuracy and formability of manufactured parts. This study is focused on using FEA as a tool to predict and control pillowing in SPIF by varying tool size and shape. 3D Finite element analysis (FEA) and experiments are carried out using annealed Aluminum 1050. From FEA, it is found out that the stress/strain state in the immediate vicinity of the forming tool in the transverse direction plays a determinant role on sheet pillowing. Furthermore, pillow height increases as compression in the sheet-plane increases. The nature of in-plane stresses in the transverse direction varies from compressive to tensile as the tool-end geometry is changed from spherical to flat. Additionally, the magnitude of corresponding in-plane stresses decreases as the tool radius increases. According to measurements from the FEA model, flat end tools and large radii both retard pillow formation. However, the influence of changing tool end shape from hemispherical to flat is observed to be more important than the effect of varying tool radius, because the deformation zone remains in tension in the transverse direction while forming with flat end tools. These findings are verified by conducting a set of experiments. A fair agreement between the FEM and empirical results show that FEM can be employed as a tool to predict and control the pillow defect in SPIF.

  9. Prediction and control of pillow defect in single point incremental forming using numerical simulations

    Energy Technology Data Exchange (ETDEWEB)

    Isidore, B. B. Lemopi [Eastern Mediterranean University, Gazimagusa (Turkmenistan); Hussain, G.; Khan, Wasim A. [GIK Institute of Engineering, Swabi (Pakistan); Shamachi, S. Pourhassan [University of Minho, Guimaraes (Portugal)

    2016-05-15

    Pillows formed at the center of sheets in Single point incremental forming (SPIF) are fabrication defects which adversely affect the geometrical accuracy and formability of manufactured parts. This study is focused on using FEA as a tool to predict and control pillowing in SPIF by varying tool size and shape. 3D Finite element analysis (FEA) and experiments are carried out using annealed Aluminum 1050. From FEA, it is found out that the stress/strain state in the immediate vicinity of the forming tool in the transverse direction plays a determinant role on sheet pillowing. Furthermore, pillow height increases as compression in the sheet-plane increases. The nature of in-plane stresses in the transverse direction varies from compressive to tensile as the tool-end geometry is changed from spherical to flat. Additionally, the magnitude of corresponding in-plane stresses decreases as the tool radius increases. According to measurements from the FEA model, flat end tools and large radii both retard pillow formation. However, the influence of changing tool end shape from hemispherical to flat is observed to be more important than the effect of varying tool radius, because the deformation zone remains in tension in the transverse direction while forming with flat end tools. These findings are verified by conducting a set of experiments. A fair agreement between the FEM and empirical results show that FEM can be employed as a tool to predict and control the pillow defect in SPIF.

  10. Partitioning of water between point defects, dislocations, and grain boundaries in olivine

    Science.gov (United States)

    Tielke, J. A.; Mecklenburgh, J.; Mariani, E.; Wheeler, J.

    2017-12-01

    Estimates of the storage capacity of water in the interior of the Earth and other terrestrial planets vary significantly. One interpretation is that water in planetary interiors exists primarily as hydrogen ions, dissociated from liquid water, that are associated with point defects in the crystal structure of nominally anhydrous minerals. However, dislocations and grain boundaries may contribute significantly to the storage capacity of water in planetary interiors, but hydrogen concentrations in dislocations and grain boundaries are difficult to quantify. To measure the water storage capacity of dislocations and grain boundaries, we are analyzing results from high-temperature and high-pressure experiments where deuterium, a stable isotope of hydrogen, was incorporated into olivine, the dominate phase in the upper mantle. Compared to hydrogen, deuterium concentrations can be determined at much higher spatial resolution using secondary-ion mass spectroscopy. The concentration of deuterium in the samples will also be quantified using Fourier transform infrared spectroscopy for comparison to results for hydrogen-bearing olivine. The spatial distribution of regions with different densities of geometrically-necessary dislocations and the locations of grain boundaries will be determined using electron-backscatter diffraction (EBSD) analyses. Correlation of the concentration of deuterium with dislocation densities and grain boundaries will be used to examine the partitioning of water-derived species between the different types of defects. Ultimately, these data will be used to place more realistic bounds on the storage capacity of water in the interior of Earth and of other terrestrial planets.

  11. First-principles investigation of the energetics of point defects at a grain boundary in tungsten

    Energy Technology Data Exchange (ETDEWEB)

    Chai, Jun; Li, Yu-Hao; Niu, Liang-Liang; Qin, Shi-Yao; Zhou, Hong-Bo, E-mail: hbzhou@buaa.edu.cn; Jin, Shuo; Zhang, Ying; Lu, Guang-Hong

    2017-02-15

    Tungsten (W) and W alloys are considered as the most promising candidates for plasma facing materials in future fusion reactor. Grain boundaries (GBs) play an important role in the self-healing of irradiation defects in W. Here, we investigate the stability of point defects [vacancy and self-interstitial atoms (SIA’s)] in a Σ5(3 1 0) [0 0 1] tilt W GB by calculating the energetics using a first-principles method. It is found that both the vacancy and SIA are energetically favorable to locate at neighboring sites of the GB, suggesting the vacancy and SIA can easily segregate to the GB region with the segregation energy of 1.53 eV and 7.5 eV, respectively. This can be attributed to the special atomic configuration and large available space of the GB. The effective interaction distance between the GB and the SIA is ∼6.19 Å, which is ∼2 Å larger than that of the vacancy-GB, indicating the SIA are more preferable to locate at the GB in comparison with the vacancy. Further, the binding energy of di-vacancies in the W GB are much larger than that in bulk W, suggesting that the vacancy energetically prefers to congregate in the GB.

  12. Electronic structures of β-SiC containing point defects studied by DX-Xα method

    International Nuclear Information System (INIS)

    Sawabe, Takashi; Yano, Toyohiko

    2008-01-01

    The DV-Xα method was used to calculate the bond order between atoms in cubic silicon carbide (β-SiC) with a point defect. Three types of β-SiC cluster models were used: pure cluster, vacancy cluster and interstitial cluster. The bond order was influenced by the kind to defects. The bonds between C interstitial and neighboring C atoms were composed of anti-bonding type interactions, while the bonds between Si interstitial and neighboring C and Si atoms were composed of bonding type interactions. The overlap population of each molecular orbital was examined to obtain detailed information of the chemical bonding. It appeared more difficult to recombine interstitial atoms in a cluster with a C atom vacancy than in a cluster with a Si atom vacancy, due to the stronger Si-Si bonds surrounding the C atom vacancy. The C interstitial atom had C2s and C2p anti-bonding interactions with high energy levels. The Si interstitial had minimal anti-bonding interactions. (author)

  13. Many-Body Theory of Proton-Generated Point Defects for Losses of Electron Energy and Photons in Quantum Wells

    Science.gov (United States)

    Huang, Danhong; Iurov, Andrii; Gao, Fei; Gumbs, Godfrey; Cardimona, D. A.

    2018-02-01

    The effects of point defects on the loss of either energies of ballistic electron beams or incident photons are studied by using a many-body theory in a multi-quantum-well system. This theory includes the defect-induced vertex correction to a bare polarization function of electrons within the ladder approximation, and the intralayer and interlayer screening of defect-electron interactions is also taken into account in the random-phase approximation. The numerical results of defect effects on both energy-loss and optical-absorption spectra are presented and analyzed for various defect densities, numbers of quantum wells, and wave vectors. The diffusion-reaction equation is employed for calculating distributions of point defects in a layered structure. For completeness, the production rate for Frenkel-pair defects and their initial concentration are obtained based on atomic-level molecular-dynamics simulations. By combining the defect-effect, diffusion-reaction, and molecular-dynamics models with an available space-weather-forecast model, it will be possible in the future to enable specific designing for electronic and optoelectronic quantum devices that will be operated in space with radiation-hardening protection and, therefore, effectively extend the lifetime of these satellite onboard electronic and optoelectronic devices. Specifically, this theory can lead to a better characterization of quantum-well photodetectors not only for high quantum efficiency and low dark current density but also for radiation tolerance or mitigating the effects of the radiation.

  14. Point defects in crystalline zircon (zirconium silicate), ZrSiO4: electron paramagnetic resonance studies

    Science.gov (United States)

    Tennant, W. C.; Claridge, R. F. C.; Walsby, C. J.; Lees, N. S.

    This article outlines the present state of knowledge of paramagnetic defects in crystalline zircon as obtained mainly, but not exclusively, from electron paramagnetic resonance (EPR) studies in crystalline zircon (zirconium silicate, ZrSiO4). The emphasis is on single-crystal studies where, in principle, unambiguous analysis is possible. Firstly, the crystallography of zircon is presented. Secondly, the relationships between available crystal-site symmetries and the symmetries of observed paramagnetic species in zircon, and how these observations lead to unambiguous assignments of point-group symmetries for particular paramagnetic species are detailed. Next, spin-Hamiltonian (SH) analysis is discussed with emphasis on the symmetry relationships that necessarily exist amongst the Laue classes of the crystal sites in zircon, the paramagnetic species occupying those sites and the SH itself. The final sections of the article then survey the results of EPR studies on zircon over the period 1960-2002.

  15. Study of points defects produced by irradiation of monocrystalline nickel and polycrystalline gadolinium

    International Nuclear Information System (INIS)

    Cope, R.

    1969-07-01

    The work described in this thesis falls into two parts: the first comprises a study of magnetocrystalline nickel by resistivity measurements; the second is a description of resistivity and magnetic after effect measurements on an h.c.p. ferromagnetic crystal other than cobalt, namely gadolinium. For the first part we have demonstrated the existence of a small but definite orientation dependence in the creation of point defects by electron irradiation (20 deg. K) of a nickel single crystal. In particular, the effect is manifested in the form of the stage I C , II and III in the resistivity recovery. In the second part an important result has emerged: namely that there is no magnetic after effect phenomenon in a neutron irradiated (27 deg. K) ferromagnetic metal. Several considerations are discussed by way of a preliminary interpretation of this important difference between gadolinium and cobalt. (author) [fr

  16. A study of point defects created by electron irradiation of dilute iron-carbon alloys

    International Nuclear Information System (INIS)

    Leveque, J.L.

    1969-10-01

    Resistivity and magnetic after effect (m.a.e.) measurements are used to study the influence of carbon atoms on the annealing process of point defects created by electron irradiation (3 MeV) at low temperature (20 deg. K). The presence of the carbon atoms has a strong influence on the recovery sub-stage I E and stage III. For the former, the carbon impurity traps the freely migrating iron interstitial. For the latter the effect is interpreted as being due to formation during annealing, of a carbon vacancy pair. A pronounced m.a.e. band is attributed to the reorientation of this carbon vacancy complex. All these results are coherent with the interpretation of a low temperature migrating free interstitial. (author) [fr

  17. Evolution of native point defects in ZnO bulk probed by positron annihilation spectroscopy

    Science.gov (United States)

    Peng, Cheng-Xiao; Wang, Ke-Fan; Zhang, Yang; Guo, Feng-Li; Weng, Hui-Min; Ye, Bang-Jiao

    2009-05-01

    This paper studies the evolution of native point defects with temperature in ZnO single crystals by positron lifetime and coincidence Doppler broadening (CDB) spectroscopy, combined with the calculated results of positron lifetime and electron momentum distribution. The calculated and experimental results of the positron lifetime in ZnO bulk ensure the presence of zinc monovacancy, and zinc monovacancy concentration begins to decrease above 600 °C annealing treatment. CDB is an effective method to distinguish the elemental species, here we combine this technique with calculated electron momentum distribution to determine the oxygen vacancies, which do not trap positrons due to their positive charge. The CDB spectra show that oxygen vacancies do not appear until 600 °C annealing treatment, and increase with the increase of annealing temperature. This study supports the idea that green luminescence has a close relation with oxygen vacancies.

  18. Irradiation creep by climb-enables glide of dislocations resulting from preferred absorption of point defects

    Energy Technology Data Exchange (ETDEWEB)

    Mansur, L K [Oak Ridge National Lab., TN (USA)

    1979-04-01

    A mechanism of irradiation creep arising from the climb-enabled glide of dislocations due to stress-induced preferred absorption of radiation-produced point defects is proposed. This creep component is here termed preferred absorption glide, PAG. PAG-creep operates in addition to the previously studied components of creep from climb by stress-induced preferred absorption, (SI) PA-creep, and the climb-enabled glide due to excess absorption of interstitials on dislocations during swelling, I-creep. A formulation of the various climb and climb-enabled glide processes which includes earlier results is presented. PAG-creep is comparable in magnitude to PA-creep in the parameter range of applications. While the PSA-creep rate and the I-creep rate are linear in stress, the PAG-creep rate is quadratic in stress and thus dominates at high stresses.

  19. Point Defects in 3D and 1D Nanomaterials: The Model Case of Titanium Dioxide

    International Nuclear Information System (INIS)

    Knauth, Philippe

    2010-01-01

    Titanium dioxide is one of the most important oxides for applications in energy and environment, such as solar cells, photocatalysis, lithium-ion batteries. In recent years, new forms of titanium dioxide with unusual structure and/or morphology have been developed, including nanocrystals, nanotubes or nanowires. We have studied in detail the point defect chemistry in nanocrystalline TiO 2 powders and ceramics. There can be a change from predominant Frenkel to Schottky disorder, depending on the experimental conditions, e.g. temperature and oxygen partial pressure. We have also studied the local environment of various dopants with similar ion radius, but different ion charge (Zn 2+ , Y 3+ , Sn 4+ , Zr 4+ , Nb 5+ ) in TiO 2 nanopowders and nanoceramics by Extended X-Ray Absorption Fine Structure (EXAFS) Spectroscopy. Interfacial segregation of acceptors was demonstrated, but donors and isovalent ions do not segregate. An electrostatic 'space charge' segregation model is applied, which explains well the observed phenomena.

  20. Evolution of native point defects in ZnO bulk probed by positron annihilation spectroscopy

    International Nuclear Information System (INIS)

    Cheng-Xiao, Peng; Ke-Fan, Wang; Yang, Zhang; Feng-Li, Guo; Hui-Min, Weng; Bang-Jiao, Ye

    2009-01-01

    This paper studies the evolution of native point defects with temperature in ZnO single crystals by positron lifetime and coincidence Doppler broadening (CDB) spectroscopy, combined with the calculated results of positron lifetime and electron momentum distribution. The calculated and experimental results of the positron lifetime in ZnO bulk ensure the presence of zinc monovacancy, and zinc monovacancy concentration begins to decrease above 600 °C annealing treatment. CDB is an effective method to distinguish the elemental species, here we combine this technique with calculated electron momentum distribution to determine the oxygen vacancies, which do not trap positrons due to their positive charge. The CDB spectra show that oxygen vacancies do not appear until 600 °C annealing treatment, and increase with the increase of annealing temperature. This study supports the idea that green luminescence has a close relation with oxygen vacancies

  1. Dependence of the saturated light-induced defect density on macroscopic properties of hydrogenated amorphous silicon

    OpenAIRE

    Park, H. R.; Liu, J. Z.; Roca i Cabarrocas, P.; Maruyama, A.; Isomura, M.; Wagner, S.; Abelson, J. R.; Finger, F.

    2008-01-01

    We report a study of the saturated light-induced defect density Ns,sat in 37 hydrogenated (and in part fluorinated) amorphous silicon [a-Si:H(F)] films grown in six different reactors under widely different conditions. Ns,sat was attained by exposing the films to light from a krypton ion laser (λ=647.1 nm). Ns,sat is determined by the constant photocurrent method and lies between 5×1016 and 2×1017 cm−3. Ns,sat drops with decreasing optical gap Eopt and hydrogen content cH, but is not correlat...

  2. Plasticity influencing the light compensation point offsets the specialization for light niches across shrub species in a tropical forest understorey

    NARCIS (Netherlands)

    Sterck, F.J.; Duursma, R.A.; Pearcy, R.W.; Valladares, F.; Cieslak, M.; Weemstra, M.

    2013-01-01

    1.Shade tolerance can be defined as the light level at which plants can survive and possibly grow. This light level is referred to as the whole-plant light compensation point (LCP). The LCP depends on multiple leaf and architectural traits. We are still uncertain how often interspecific trait

  3. Resolving Point Defects in the Hydration Structure of Calcite (10.4) with Three-Dimensional Atomic Force Microscopy

    Science.gov (United States)

    Söngen, Hagen; Reischl, Bernhard; Miyata, Kazuki; Bechstein, Ralf; Raiteri, Paolo; Rohl, Andrew L.; Gale, Julian D.; Fukuma, Takeshi; Kühnle, Angelika

    2018-03-01

    It seems natural to assume that defects at mineral surfaces critically influence interfacial processes such as the dissolution and growth of minerals in water. The experimental verification of this claim, however, is challenging and requires real-space methods with utmost spatial resolution, such as atomic force microscopy (AFM). While defects at mineral-water interfaces have been resolved in 2D AFM images before, the perturbation of the surrounding hydration structure has not yet been analyzed experimentally. In this Letter, we demonstrate that point defects on the most stable and naturally abundant calcite (10.4) surface can be resolved using high-resolution 3D AFM—even within the fifth hydration layer. Our analysis of the hydration structure surrounding the point defect shows a perturbation of the hydration with a lateral extent of approximately one unit cell. These experimental results are corroborated by molecular dynamics simulations.

  4. Steady distribution structure of point defects near crystal-melt interface under pulling stop of CZ Si crystal

    Science.gov (United States)

    Abe, T.; Takahashi, T.; Shirai, K.

    2017-02-01

    In order to reveal a steady distribution structure of point defects of no growing Si on the solid-liquid interface, the crystals were grown at a high pulling rate, which Vs becomes predominant, and the pulling was suddenly stopped. After restoring the variations of the crystal by the pulling-stop, the crystals were then left in prolonged contact with the melt. Finally, the crystals were detached and rapidly cooled to freeze point defects and then a distribution of the point defects of the as-grown crystals was observed. As a result, a dislocation loop (DL) region, which is formed by the aggregation of interstitials (Is), was formed over the solid-liquid interface and was surrounded with a Vs-and-Is-free recombination region (Rc-region), although the entire crystals had been Vs rich in the beginning. It was also revealed that the crystal on the solid-liquid interface after the prolonged contact with the melt can partially have a Rc-region to be directly in contact with the melt, unlike a defect distribution of a solid-liquid interface that has been growing. This experimental result contradicts a hypothesis of Voronkov's diffusion model, which always assumes the equilibrium concentrations of Vs and Is as the boundary condition for distribution of point defects on the growth interface. The results were disscussed from a qualitative point of view of temperature distribution and thermal stress by the pulling-stop.

  5. Effect of point defects on the electronic density states of SnC nanosheets: First-principles calculations

    Directory of Open Access Journals (Sweden)

    Soleyman Majidi

    Full Text Available In this work, we investigated the electronic and structural properties of various defects including single Sn and C vacancies, double vacancy of the Sn and C atoms, anti-sites, position exchange and the Stone–Wales (SW defects in SnC nanosheets by using density-functional theory (DFT. We found that various vacancy defects in the SnC monolayer can change the electronic and structural properties. Our results show that the SnC is an indirect band gap compound, with the band gap of 2.10 eV. The system turns into metal for both structure of the single Sn and C vacancies. However, for the double vacancy contained Sn and C atoms, the structure remains semiconductor with the direct band gap of 0.37 eV at the G point. We also found that for anti-site defects, the structure remains semiconductor and for the exchange defect, the structure becomes indirect semiconductor with the K-G point and the band gap of 0.74 eV. Finally, the structure of SW defect remains semiconductor with the direct band gap at K point with band gap of 0.54 eV. Keywords: SnC nanosheets, Density-functional theory, First-principles calculations, Electronic density of states, Band gap

  6. Modeling of Semiconductors and Correlated Oxides with Point Defects by First Principles Methods

    KAUST Repository

    Wang, Hao

    2014-06-15

    Point defects in silicon, vanadium dioxide, and doped ceria are investigated by density functional theory. Defects involving vacancies and interstitial oxygen and carbon in silicon are after formed in outer space and significantly affect device performances. The screened hybrid functional by Heyd-Scuseria-Ernzerhof is used to calculate formation energies, binding energies, and electronic structures of the defective systems because standard density functional theory underestimates the bang gap of silicon. The results indicate for the A-center a −2 charge state. Tin is proposed to be an effective dopant to suppress the formation of A-centers. For the total energy difference between the A- and B-type carbon related G-centers we find close agreement with the experiment. The results indicate that the C-type G-center is more stable than both the A- and B-types. The electronic structures of the monoclinic and rutile phases of vanadium dioxide are also studied using the Heyd-Scuseria-Ernzerhof functional. The ground states of the pure phases obtained by calculations including spin polarization disagree with the experimental observations that the monoclinic phase should not be magnetic, the rutile phase should be metallic, and the monoclinic phase should have a lower total energy than the rutile phase. By tuning the Hartree-Fock fraction α to 10% the agreement with experiments is improved in terms of band gaps and relative energies of the phases. A calculation scheme is proposed to simulate the relationship between the transition temperature of the metal-insulator transition and the dopant concentration in tungsten doped vanadium dioxide. We achieve good agreement with the experimental situation. 18.75% and 25% yttrium, lanthanum, praseodymium, samarium, and gadolinium doped ceria supercells generated by the special quasirandom structure approach are employed to investigate the impact of doping on the O diffusion. The experimental behavior of the conductivity for the

  7. Modeling of Semiconductors and Correlated Oxides with Point Defects by First Principles Methods

    KAUST Repository

    Wang, Hao

    2014-01-01

    Point defects in silicon, vanadium dioxide, and doped ceria are investigated by density functional theory. Defects involving vacancies and interstitial oxygen and carbon in silicon are after formed in outer space and significantly affect device performances. The screened hybrid functional by Heyd-Scuseria-Ernzerhof is used to calculate formation energies, binding energies, and electronic structures of the defective systems because standard density functional theory underestimates the bang gap of silicon. The results indicate for the A-center a −2 charge state. Tin is proposed to be an effective dopant to suppress the formation of A-centers. For the total energy difference between the A- and B-type carbon related G-centers we find close agreement with the experiment. The results indicate that the C-type G-center is more stable than both the A- and B-types. The electronic structures of the monoclinic and rutile phases of vanadium dioxide are also studied using the Heyd-Scuseria-Ernzerhof functional. The ground states of the pure phases obtained by calculations including spin polarization disagree with the experimental observations that the monoclinic phase should not be magnetic, the rutile phase should be metallic, and the monoclinic phase should have a lower total energy than the rutile phase. By tuning the Hartree-Fock fraction α to 10% the agreement with experiments is improved in terms of band gaps and relative energies of the phases. A calculation scheme is proposed to simulate the relationship between the transition temperature of the metal-insulator transition and the dopant concentration in tungsten doped vanadium dioxide. We achieve good agreement with the experimental situation. 18.75% and 25% yttrium, lanthanum, praseodymium, samarium, and gadolinium doped ceria supercells generated by the special quasirandom structure approach are employed to investigate the impact of doping on the O diffusion. The experimental behavior of the conductivity for the

  8. Light-emitting diode assessment of dentinal defects: the role of presumed extraction forces

    Directory of Open Access Journals (Sweden)

    Marcelo Santos Coelho

    2017-07-01

    Full Text Available Objectives The evaluation of iatrogenic dentinal defects in extracted teeth may be influenced by extraction forces and prolonged dry times. The purpose of this study was to compare the presence of dentinal defects in freshly extracted, periodontally compromised teeth with those in a group of teeth with uncontrolled extraction forces and storage time. Materials and Methods The experimental group consisted of eighteen roots obtained from teeth extracted due to periodontal reasons with class II or III mobility. They were kept in saline and sectioned within 1 hour following extraction. The control group consisted of matched root types obtained from an anonymous tooth collection, consistent with previous dentinal defect studies. The slices were obtained at 3, 6, and 9 mm from the apex. The imaging process exposed all specimens to no more than 60 seconds of dry time. The × 12.8 magnification was used for the 9 mm slices and × 19.2 magnification for the 3 mm and 6 mm slices under light-emitting diode (LED transillumination. The root canal spaces and periodontal tissues were masked to minimize extraneous factors that might influence the evaluators. Chi-square test was used for statistical analysis. Results Dentinal defects were detected in 17% of the experimental group teeth, compared to 61% of control teeth (p = 0.015. Conclusions LED transillumination assessment of freshly extracted roots with class II or III mobility showed smaller number of dentinal defects than roots with uncontrolled storage time and extraction forces. The use of freshly extracted roots with mobility should be considered for future dental defect assessment studies.

  9. Atomic diffusion and point defects in crystals. Final report. Progress report, April 1, 1956--August 31, 1972

    International Nuclear Information System (INIS)

    Slifkin, L.M.

    1972-01-01

    Studies were made to elucidate the fundamental mechanisms of point defect transport in simple metals and in crystals of the silver halides. Experiments performed include: (a) effect of composition on diffusion in Ag-Au alloys and Ag-Cd alloys; (b) effect of a vacancy flux on diffusion; (c) diffusion of solutes in aluminum and its dilute alloys; (d) dislocation effects in Cu 3 Au; (e) role of electronic structure and ionic radius in diffusion of cations in AgCl; (f) effects of ionic radius on halide impurity ion diffusion in AgCl and AgBr; (g) production of excess point defects in AgCl by deformation and by quenching; (h) the kinetics of the pinning of dislocations by point defects in AgBr crystals. (auth)

  10. Point defects and electric compensation in gallium arsenide single crystals; Punktdefekte und elektrische Kompensation in Galliumarsenid-Einkristallen

    Energy Technology Data Exchange (ETDEWEB)

    Kretzer, Ulrich

    2007-12-10

    In the present thesis the point-defect budget of gallium arsenide single crystals with different dopings is studied. It is shown, in which way the concentration of the single point defects depende on the concentration of the dopants, the stoichiometry deviation, and the position of the Fermi level. For this serve the results of the measurement-technical characterization of a large number of samples, in the fabrication of which these parameters were directedly varied. The main topic of this thesis lies in the development of models, which allow a quantitative description of the experimentally studied electrical and optical properties of gallium arsenide single crystals starting from the point-defect concentrations. Because from point defects charge carriers can be set free, their concentration determines essentially the charge-carrier concentration in the bands. In the ionized state point defects act as scattering centers for free charge carriers and influence by this the drift mobility of the charge carriers. A thermodynamic modeling of the point-defect formation yields statements on the equilibrium concentrations of the point defects in dependence on dopant concentration and stoichiometry deviation. It is show that the electrical properties of the crystals observed at room temperature result from the kinetic suppression of processes, via which the adjustment of a thermodynamic equilibrium between the point defects is mediated. [German] In der vorliegenden Arbeit wird der Punktdefekthaushalt von Galliumarsenid-Einkristallen mit unterschiedlichen Dotierungen untersucht. Es wird gezeigt, in welcher Weise die Konzentration der einzelnen Punktdefekte von der Konzentration der Dotierstoffe, der Stoechiometrieabweichung und der Lage des Ferminiveaus abhaengen. Dazu dienen die Ergebnisse der messtechnischen Charakterisierung einer grossen Anzahl von Proben, bei deren Herstellung diese Parameter gezielt variiert wurden. Der Schwerpunkt der Arbeit liegt in der Entwicklung

  11. Anisotropy migration of self-point defects in dislocation stress fields in BCC Fe and FCC Cu

    International Nuclear Information System (INIS)

    Sivak, A.B.; Chernov, V.M.; Dubasova, N.A.; Romanov, V.A.

    2007-01-01

    Spatial dependence of the interaction energies of self-point defects (vacancies and self interstitial atoms in stable, metastable and saddle point configurations) with edge dislocations in slip systems {1 1 0} and {1 0 0} in BCC Fe and {1 1 1} in FCC Cu was calculated using the anisotropic theory of elasticity and molecular statics (hybrid method). The migration pathways of vacancies and SIA ( dumbbell in Fe and dumbbell in Cu) along which the migration of the defects with the lowest energy barriers were defined in the presence of the dislocation stress fields. These pathways are significantly different in the stress fields of dislocations

  12. Discrete gravity as a topological field theorywith light-like curvature defects

    Energy Technology Data Exchange (ETDEWEB)

    Wieland, Wolfgang [Perimeter Institute for Theoretical Physics,31 Caroline Street North, Waterloo, ON N2L 2Y5 (Canada)

    2017-05-29

    I present a model of discrete gravity as a topological field theory with defects. The theory has no local degrees of freedom and the gravitational field is trivial everywhere except at a number of intersecting null surfaces. At these null surfaces, the gravitational field can be singular, representing a curvature defect propagating at the speed of light. The underlying action is local and it is studied in both its Lagrangian and Hamiltonian formulation. The canonically conjugate variables on the null surfaces are a spinor and a spinor-valued two-surface density, which are coupled to a topological field theory for the Lorentz connection in the bulk. I discuss the relevance of the model for non-perturbative approaches to quantum gravity, such as loop quantum gravity, where similar variables have recently appeared as well.

  13. Unifying Points, Beams, and Paths in Volumetric Light Transport Simulation

    DEFF Research Database (Denmark)

    Křivánek, Jaroslav; Georgiev, Iliyan; Hachisuka, Toshiya

    2014-01-01

    Efficiently computing light transport in participating media in a manner that is robust to variations in media density, scattering albedo, and anisotropy is a difficult and important problem in realistic image synthesis. While many specialized rendering techniques can efficiently resolve subsets ...

  14. Enhancing the sensitivity of slow light MZI biosensors through multi-hole defects

    Science.gov (United States)

    Qin, Kun; Zhao, Yiliang; Hu, Shuren; Weiss, Sharon M.

    2018-02-01

    We demonstrate enhanced detection sensitivity of a slow light Mach-Zehnder interferometer (MZI) sensor by incorporating multi-hole defects (MHDs). Slow light MZI biosensors with a one-dimensional photonic crystal in one arm have been previously shown to improve the performance of traditional MZI sensors based on the increased lightmatter interaction that takes place in the photonic crystal region of the structure. Introducing MHDs in the photonic crystal region increases the available surface area for molecular attachment and further increases the enhanced lightmatter interaction capability of slow light MZIs. The MHDs allow analyte to interact with a greater fraction of the guided wave in the MZI. For a slow light MHD MZI sensor with a 16 μm long sensing arm, a bulk sensitivity of 151,000 rad/RIU-cm is demonstrated experimentally, which is approximately two-fold higher than our previously reported slow light MZI sensors and thirteen-fold higher than traditional MZI biosensors with millimeter length sensing regions. For the label-free detection of nucleic acids, the slow light MZI with MHDs also exhibits a two-fold sensitivity improvement in experiment compared to the slow light MZI without MHDs. Because the detection sensitivity of slow light MHD MZIs scales with the length of the sensing arm, the tradeoff between detection limit and device size can be appropriately mitigated for different applications. All experimental results presented in this work are in good agreement with finite difference-time domain-calculations. Overall, the slow light MZI biosensors with MHDs are a promising platform for highly sensitive and multiplexed lab-on-chip systems.

  15. Point defect characterization in HAADF-STEM images using multivariate statistical analysis

    International Nuclear Information System (INIS)

    Sarahan, Michael C.; Chi, Miaofang; Masiel, Daniel J.; Browning, Nigel D.

    2011-01-01

    Quantitative analysis of point defects is demonstrated through the use of multivariate statistical analysis. This analysis consists of principal component analysis for dimensional estimation and reduction, followed by independent component analysis to obtain physically meaningful, statistically independent factor images. Results from these analyses are presented in the form of factor images and scores. Factor images show characteristic intensity variations corresponding to physical structure changes, while scores relate how much those variations are present in the original data. The application of this technique is demonstrated on a set of experimental images of dislocation cores along a low-angle tilt grain boundary in strontium titanate. A relationship between chemical composition and lattice strain is highlighted in the analysis results, with picometer-scale shifts in several columns measurable from compositional changes in a separate column. -- Research Highlights: → Multivariate analysis of HAADF-STEM images. → Distinct structural variations among SrTiO 3 dislocation cores. → Picometer atomic column shifts correlated with atomic column population changes.

  16. First-principles study of point-defect production in Si and SiC

    International Nuclear Information System (INIS)

    Windl, W.; Lenosky, T.J.; Kress, J.D.; Voter, A.F.

    1998-03-01

    The authors have calculated the displacement-threshold energy E(d) for point-defect production in Si and SiC using empirical potentials, tight-binding, and first-principles methods. They show that -- depending on the knock-on direction -- 64-atom simulation cells can be sufficient to allow a nearly finite-size-effect-free calculation, thus making the use of first-principles methods possible. They use molecular dynamics (MD) techniques and propose the use of a sudden approximation which agrees reasonably well with the MD results for selected directions and which allows estimates of Ed without employing an MD simulation and the use of computationally demanding first-principles methods. Comparing the results with experiment, the authors find the full self-consistent first-principles method in conjunction with the sudden approximation to be a reliable and easy method to predict E d . Furthermore, they have examined the temperature dependence of E d for C in SiC and found it to be negligible

  17. Effect of uniaxial stress on the electrochemical properties of graphene with point defects

    Science.gov (United States)

    Szroeder, Paweł; Sagalianov, Igor Yu.; Radchenko, Taras M.; Tatarenko, Valentyn A.; Prylutskyy, Yuriy I.; Strupiński, Włodzimierz

    2018-06-01

    We report a calculational study of electron states and the resulting electrochemical properties of uniaxially strained graphene with point defects. For this study the reduction of ferricyanide to ferrocyanide serves as a benchmark electrochemical reaction. We find that the heterogeneous electron transfer activity of the perfect graphene electrode rises under uniaxial strain. However, evolution of the cathodic reaction rate depends on the direction of strain. For moderate lattice deformations, the zigzag strain improves electrochemical performance better than the armchair strain. Standard rate constant increases by 50% at the zigzag strain of 10%. Vacancies, covalently bonded moieties, charged adatoms and substitutional impurities in the zigzag strained graphene induce changes in the shape of the curve of the cathodic reaction rate. However, this changes do not translate into the electrocatalytic activity. Vacancies and covalently bonded moieties at concentration of 0.1% do not affect the electrochemical performance. Charged adatoms and substitutional impurities give a slight increase in the standard rate constant by, respectively, 2.2% and 3.4%.

  18. Simulation of surface crack initiation induced by slip localization and point defects kinetics

    International Nuclear Information System (INIS)

    Sauzay, Maxime; Liu, Jia; Rachdi, Fatima

    2014-01-01

    Crack initiation along surface persistent slip bands (PSBs) has been widely observed and modelled. Nevertheless, from our knowledge, no physically-based fracture modelling has been proposed and validated with respect to the numerous recent experimental data showing the strong relationship between extrusion and microcrack initiation. The whole FE modelling accounts for: - localized plastic slip in PSBs; - production and annihilation of vacancies induced by cyclic slip. If temperature is high enough, point defects may diffuse in the surrounding matrix due to large concentration gradients, allowing continuous extrusion growth in agreement with Polak's model. At each cycle, the additional atoms diffusing from the matrix are taken into account by imposing an incremental free dilatation; - brittle fracture at the interfaces between PSBs and their surrounding matrix which is simulated using cohesive zone modelling. Any inverse fitting of parameter is avoided. Only experimental single crystal data are used such as hysteresis loops and resistivity values. Two fracture parameters are required: the {111} surface energy which depends on environment and the cleavage stress which is predicted by the universal binding energy relationship. The predicted extrusion growth curves agree rather well with the experimental data published for copper and the 316L steel. A linear dependence with respect to PSB length, thickness and slip plane angle is predicted in agreement with recent AFM measurement results. Crack initiation simulations predict fairly well the effects of PSB length and environment for copper single and poly-crystals. (authors)

  19. Effects of extrinsic point defects in phosphorene: B, C, N, O, and F adatoms

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Gaoxue, E-mail: gaoxuew@mtu.edu, E-mail: pandey@mtu.edu, E-mail: shashi.p.karna.civ@mail.mil; Pandey, Ravindra, E-mail: gaoxuew@mtu.edu, E-mail: pandey@mtu.edu, E-mail: shashi.p.karna.civ@mail.mil [Department of Physics, Michigan Technological University, Houghton, Michigan 49931 (United States); Karna, Shashi P., E-mail: gaoxuew@mtu.edu, E-mail: pandey@mtu.edu, E-mail: shashi.p.karna.civ@mail.mil [U.S. Army Research Laboratory, Weapons and Materials Research Directorate, ATTN: RDRL-WM, Aberdeen Proving Ground, Maryland 21005-5069 (United States)

    2015-04-27

    Phosphorene is emerging as a promising 2D semiconducting material with a direct band gap and high carrier mobility. In this paper, we examine the role of the extrinsic point defects including surface adatoms in modifying the electronic properties of phosphorene using density functional theory. The surface adatoms considered are B, C, N, O, and F with a [He] core electronic configuration. Our calculations show that B and C, with electronegativity close to P, prefer to break the sp{sup 3} bonds of phosphorene and reside at the interstitial sites in the 2D lattice by forming sp{sup 2} like bonds with the native atoms. On the other hand, N, O, and F, which are more electronegative than P, prefer the surface sites by attracting the lone pairs of phosphorene. B, N, and F adsorption will also introduce local magnetic moment to the lattice. Moreover, B, C, N, and F adatoms will modify the band gap of phosphorene, yielding metallic transverse tunneling characters. Oxygen does not modify the band gap of phosphorene, and a diode like tunneling behavior is observed. Our results therefore offer a possible route to tailor the electronic and magnetic properties of phosphorene by the adatom functionalization and provide the physical insights of the environmental sensitivity of phosphorene, which will be helpful to experimentalists in evaluating the performance and aging effects of phosphorene-based electronic devices.

  20. Lighting system with thermal management system having point contact synthetic jets

    Science.gov (United States)

    Arik, Mehmet; Weaver, Stanton Earl; Kuenzler, Glenn Howard; Wolfe, Jr., Charles Franklin; Sharma, Rajdeep

    2013-12-10

    Lighting system having unique configurations are provided. For instance, the lighting system may include a light source, a thermal management system and driver electronics, each contained within a housing structure. The light source is configured to provide illumination visible through an opening in the housing structure. The thermal management system includes a plurality of synthetic jets. The synthetic jets are arranged within the lighting system such that they are secured at contact points.

  1. Intrinsic point defects in off-stoichiometric Cu2ZnSnSe4: A neutron diffraction study

    Science.gov (United States)

    Gurieva, Galina; Valle Rios, Laura Elisa; Franz, Alexandra; Whitfield, Pamela; Schorr, Susan

    2018-04-01

    This work is an experimental study of intrinsic point defects in off-stoichiometric kesterite type CZTSe by means of neutron powder diffraction. We revealed the existence of copper vacancies (VCu), various cation anti site defects (CuZn, ZnCu, ZnSn, SnZn, and CuZn), as well as interstitials (Cui, Zni) in a wide range of off-stoichiometric polycrystalline powder samples synthesized by the solid state reaction. The results show that the point defects present in off-stoichiometric CZTSe agree with the off-stoichiometry type model, assuming certain cation substitutions accounting for charge balance. In addition to the known off-stoichiometry types A-H, new types (I-L) have been introduced. For the very first time, a correlation between the chemical composition of the CZTSe kesterite type phase and the occurring intrinsic point defects is presented. In addition to the off-stoichiometry type specific defects, the Cu/Zn disorder is always present in the CZTSe phase. In Cu-poor/Zn-rich CZTSe, a composition considered as the one that delivers the best photovoltaic performance, mainly copper vacancies, ZnCu and ZnSn anti sites are present. Also, this compositional region shows the lowest degree of Cu/Zn disorder.

  2. Characterization of point defects in CdTe by positron annihilation spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Elsharkawy, M. R. M. [Carnegie Laboratory of Physics, SUPA, School of Science and Engineering, University of Dundee, Dundee DD1 4HN (United Kingdom); Physics Department, Faculty of Science, Minia University, P.O. Box 61519, Minia (Egypt); Kanda, G. S.; Keeble, D. J., E-mail: d.j.keeble@dundee.ac.uk [Carnegie Laboratory of Physics, SUPA, School of Science and Engineering, University of Dundee, Dundee DD1 4HN (United Kingdom); Abdel-Hady, E. E. [Physics Department, Faculty of Science, Minia University, P.O. Box 61519, Minia (Egypt)

    2016-06-13

    Positron lifetime measurements on CdTe 0.15% Zn-doped by weight are presented, trapping to monovacancy defects is observed. At low temperatures, localization at shallow binding energy positron traps dominates. To aid defect identification density functional theory, calculated positron lifetimes and momentum distributions are obtained using relaxed geometry configurations of the monovacancy defects and the Te antisite. These calculations provide evidence that combined positron lifetime and coincidence Doppler spectroscopy measurements have the capability to identify neutral or negative charge states of the monovacancies, the Te antisite, A-centers, and divacancy defects in CdTe.

  3. Study of electrical fatigue by defect engineering in organic light-emitting diodes

    International Nuclear Information System (INIS)

    Gassmann, Andrea; Yampolskii, Sergey V.; Klein, Andreas; Albe, Karsten; Vilbrandt, Nicole; Pekkola, Oili; Genenko, Yuri A.; Rehahn, Matthias; Seggern, Heinz von

    2015-01-01

    Graphical abstract: - Highlights: • Electrical fatigue is investigated in PPV-based polymer light-emitting diodes. • Bromide defects remaining from Gilch synthesis limit PLED lifetime. • Electrical stress yields lower hole mobility and transition to dispersive transport. • Triplet excitons reduce lifetime and EL-emission-induced degradation observed. • Self-consistent drift-diffusion model for charge carrier injection and transport. - Abstract: In this work the current knowledge on the electrical degradation of polymer-based light-emitting diodes is reviewed focusing especially on derivatives of poly(p-phenylene-vinylene) (PPV). The electrical degradation will be referred to as electrical fatigue and is understood as mechanisms, phenomena and material properties that change during continuous operation of the device at constant current. The focus of this review lies especially on the effect of chemical synthesis on the transport properties of the organic semiconductor and the device lifetimes. In addition, the prominent transparent conductive oxide indium tin oxide as well as In 2 O 3 will be reviewed and how their properties can be altered by the processing conditions. The experiments are accompanied by theoretical modeling shining light on how the change of injection barriers, charge carrier mobility or trap density influence the current–voltage characteristics of the diodes and on how and which defects form in transparent conductive oxides used as anode

  4. Prediction of point-defect migration energy barriers in alloys using artificial intelligence for atomistic kinetic Monte Carlo applications

    Energy Technology Data Exchange (ETDEWEB)

    Castin, N. [Structural Materials Group, Nuclear Materials Science Institute, Studiecentrum voor Kerneenergie Centre d' etude de l' energie nucleaire (SCK CEN), Boeretang 200, B-2400 Mol (Belgium); Universite Libre de Bruxelles (ULB), Physique des Solides Irradies et Nanostructures (PSIN), CP234 Boulevard du triomphe, Brussels (Belgium); Malerba, L. [Structural Materials Group, Nuclear Materials Science Institute, Studiecentrum voor Kerneenergie Centre d' etude de l' energie nucleaire (SCK CEN), Boeretang 200, B-2400 Mol (Belgium)], E-mail: lmalerba@sckcen.be

    2009-09-15

    We significantly improved a previously proposed method to take into account chemical and also relaxation effects on point-defect migration energy barriers, as predicted by an interatomic potential, in a rigid lattice atomistic kinetic Monte Carlo simulation. Examples of energy barriers are rigorously calculated, including chemical and relaxation effects, as functions of the local atomic configuration, using a nudged elastic bands technique. These examples are then used to train an artificial neural network that provides the barriers on-demand during the simulation for each configuration encountered by the migrating defect. Thanks to a newly developed training method, the configuration can include a large number of neighbour shells, thereby properly including also strain effects. Satisfactory results have been obtained when the configuration includes different chemical species only. The problems encountered in the extension of the method to configurations including any number of point-defects are stated and solutions to tackle them are sketched.

  5. Nucleation of point defects in low-fluence ion-implanted GaAs and GaP

    International Nuclear Information System (INIS)

    Wesch, W.; Wendler, E.; Gaertner, K.

    1992-01-01

    The defect production due to low-fluence medium-mass ion implantation into GaAs and GaP at room temperature is investigated. In the parameter region analysed weakly damaged layers are created containing point defects and point defects complexes. Temperature dependent channeling measurements show different structures of the damage produced in the two materials. The depth profiles of the near-edge optical absorption coefficient K sufficiently correspond to the profiles of the primarily produced vacancy concentration N vac . The absorption coefficient K(N vac ) determined from the depth profiles of the two magnitudes shows a square root dependence for GaAs, whereas for GaP a linear dependence is found. The differences observed are discussed in the frame of different nucleation mechanisms. (orig.)

  6. Defect-engineered GaN:Mg nanowire arrays for overall water splitting under violet light

    International Nuclear Information System (INIS)

    Kibria, M. G.; Chowdhury, F. A.; Zhao, S.; Mi, Z.; Trudeau, M. L.; Guo, H.

    2015-01-01

    We report that by engineering the intra-gap defect related energy states in GaN nanowire arrays using Mg dopants, efficient and stable overall neutral water splitting can be achieved under violet light. Overall neutral water splitting on Rh/Cr 2 O 3 co-catalyst decorated Mg doped GaN nanowires is demonstrated with intra-gap excitation up to 450 nm. Through optimized Mg doping, the absorbed photon conversion efficiency of GaN nanowires reaches ∼43% at 375–450 nm, providing a viable approach to extend the solar absorption of oxide and non-oxide photocatalysts

  7. Research on Forming Mechanisms and Controlling Measurements for Surface Light Spot Defects of Galvanizing Steel Coils for Automobile Use

    Science.gov (United States)

    Guangmin, Wei; Haiyan, Sun; Jianqiang, Shi; Lianxuan, Wang; Haihong, Wu

    When producing high surface quality galvanizing steel coils for automobile use, there are always many light spots on the surface since Hansteel CGL No.1 has been put into operation. The defect samples were analyzed by SEM and EDS. The result shows that cause for light spot is not only one. There are more Mn and P in high strength auto sheet, which can result in difficulty to be cleaned off the oxide on the hot rolled coils, so the defects coming. This is why the defects come with high strength auto sheet. When coils galvanized, the defects can't be covered up. To the contrary, the defects will be more obvious when zinc growing on the surface. And sometimes zinc or residue can adhere to work rolls when strips passing through SPM. The deposits then press normal coating. So the light spots come more. When the defect comes from pressing, there is no defect on steel base. The causation is found and measures were taken including high pressure cleaning equipments adopted. Result shows that the defects disappeared.

  8. The influence of melt purification and structure defects on mid-infrared light emitting diodes

    CERN Document Server

    Krier, A

    2003-01-01

    Mid-infrared light emitting diodes which exhibit more than 7 mW (pulsed) and 0.35 mW dc output power at 3.3 mu m and at room temperature have been fabricated by liquid phase epitaxy using Pb as a neutral solvent. Using Pb solution an increase in pulsed output power of between two and three times was obtained compared with InAs light emitting diodes (LEDs) made using rare-earth gettering. The performance improvements were attributed to a reduction in residual carrier concentration arising from the removal of un-intentional donors and structure defects in the InAs active region material. These LEDs are well matched to the CH sub 4 absorption spectrum and potentially could form the basis of a practical infrared CH sub 4 gas sensor.

  9. Nonlinear elastic longitudinal strain-wave propagation in a plate with nonequilibrium laser-generated point defects

    International Nuclear Information System (INIS)

    Mirzade, Fikret Kh.

    2005-01-01

    The propagation of longitudinal strain wave in a plate with quadratic nonlinearity of elastic continuum was studied in the context of a model that takes into account the joint dynamics of elastic displacements in the medium and the concentration of the nonequilibrium laser-induced point defects. The input equations of the problem are reformulated in terms of only the total displacements of the medium points. In this case, the presence of structural defects manifests itself in the emergence of a delayed response of the system to the propagation of the strain-related perturbations, which is characteristic of media with relaxation or memory. The model equations describing the nonlinear displacement wave were derived with allowance made for the values of the relaxation parameter. The influence of the generation and relaxation of lattice defects on the propagation of this wave was analyzed. It is shown that, for short relaxation times of defects, the strain can propagate in the form of shock fronts. In the case of longer relaxation times, shock waves do not form and the strain wave propagates only in the form of solitary waves or a train of solitons. The contributions of the finiteness of the defect-recombination rate to linear and nonlinear elastic modulus, and spatial dispersion are determined

  10. Impurity diffusion, point defect engineering, and surface/interface passivation in germanium

    KAUST Repository

    Chroneos, Alexander I.; Schwingenschlö gl, Udo; Dimoulas, Athanasios Dimoulas

    2012-01-01

    in view of recent results. The importance of electrically active defects on the Ge surface and interfaces is addressed considering strategies to suppress them and to passivate the surfaces/interfaces, bearing in mind their importance for advanced devices

  11. Optical transitions in two-dimensional topological insulators with point defects

    Science.gov (United States)

    Sablikov, Vladimir A.; Sukhanov, Aleksei A.

    2016-12-01

    Nontrivial properties of electronic states in topological insulators are inherent not only to the surface and boundary states, but to bound states localized at structure defects as well. We clarify how the unusual properties of the defect-induced bound states are manifested in optical absorption spectra in two-dimensional topological insulators. The calculations are carried out for defects with short-range potential. We find that the defects give rise to the appearance of specific features in the absorption spectrum, which are an inherent property of topological insulators. They have the form of two or three absorption peaks that are due to intracenter transitions between electron-like and hole-like bound states.

  12. Point defects in gallium arsenide characterized by positron annihilation spectroscopy and deep level transient spectroscopy

    International Nuclear Information System (INIS)

    Mih, R.; Gronsky, R.; Sterne, P.A.

    1995-01-01

    Positron annihilation lifetime spectroscopy (PALS) is a unique technique for detection of vacancy related defects in both as-grown and irradiated materials. The authors present a systematic study of vacancy defects in stoichiometrically controlled p-type Gallium Arsenide grown by the Hot-Wall Czochralski method. Microstructural information based on PALS, was correlated to crystallographic data and electrical measurements. Vacancies were detected and compared to electrical levels detected by deep level transient spectroscopy and stoichiometry based on crystallographic data

  13. Numerical solution of kinetics equation for point defects accumulation in metals under irradiation

    International Nuclear Information System (INIS)

    Aldzhambekova, G.T.; Iskakov, B.M.

    1999-01-01

    In the report the mathematical model, describing processes of generation and accumulation of defects in solids under irradiation is considered. The equations of this model take into account the velocity of Frenkel pairs generation, the mutual recombination of vacancies and the interstitials, as well as velocity of defects absorption by discharge channeling of vacancies and interstitials. By Runge-Kutta method the numerical solution of the model was carried out

  14. The evolution of interaction between grain boundary and irradiation-induced point defects: Symmetric tilt GB in tungsten

    Science.gov (United States)

    Li, Hong; Qin, Yuan; Yang, Yingying; Yao, Man; Wang, Xudong; Xu, Haixuan; Phillpot, Simon R.

    2018-03-01

    Molecular dynamics method is used and scheme of calculational tests is designed. The atomic evolution view of the interaction between grain boundary (GB) and irradiation-induced point defects is given in six symmetric tilt GB structures of bcc tungsten with the energy of the primary knock-on atom (PKA) EPKA of 3 and 5 keV and the simulated temperature of 300 K. During the collision cascade with GB structure there are synergistic mechanisms to reduce the number of point defects: one is vacancies recombine with interstitials, and another is interstitials diffuse towards the GB with vacancies almost not move. The larger the ratio of the peak defect zone of the cascades overlaps with the GB region, the statistically relative smaller the number of surviving point defects in the grain interior (GI); and when the two almost do not overlap, vacancy-intensive area generally exists nearby GBs, and has a tendency to move toward GB with the increase of EPKA. In contrast, the distribution of interstitials is relatively uniform nearby GBs and is affected by the EPKA far less than the vacancy. The GB has a bias-absorption effect on the interstitials compared with vacancies. It shows that the number of surviving vacancies statistically has increasing trend with the increase of the distance between PKA and GB. While the number of surviving interstitials does not change much, and is less than the number of interstitials in the single crystal at the same conditions. The number of surviving vacancies in the GI is always larger than that of interstitials. The GB local extension after irradiation is observed for which the interstitials absorbed by the GB may be responsible. The designed scheme of calculational tests in the paper is completely applicable to the investigation of the interaction between other types of GBs and irradiation-induced point defects.

  15. In-Situ Photoexcitation-Induced Suppression of Point Defect Generation in Ion Implanted Silicon

    International Nuclear Information System (INIS)

    Cho, C.R.; Rozgonyi, G.A.; Yarykin, N.; Zuhr, R.A.

    1999-01-01

    The formation of vacancy-related defects in n-type silicon has been studied immediately after implantation of He, Si, or Ge ions at 85 K using in-situ DLTS. A-center concentrations in He-implanted samples reach a maximum immediately after implantation, whereas, with Si or Ge ion implanted samples they continuously increase during subsequent anneals. It is proposed that defect clusters, which emit vacancies during anneals, are generated in the collision cascades of Si or Ge ions. An illumination-induced suppression of A-center formation is seen immediately after implantation of He ions at 85 K. This effect is also observed with Si or Ge ions, but only after annealing. The suppression of vacancy complex formation via photoexcitation is believed to occur due to an enhanced recombination of defects during ion implantation, and results in reduced number of vacancies remaining in the defect clusters. In p-type silicon, a reduction in K-center formation and an enhanced migration of defects are concurrently observed in the illuminated sample implanted with Si ions. These observations are consistent with a model where the injection of excess carriers modifies the defect charge state and impacts their diffusion

  16. Anisotropic diffusion of point defects in a two-dimensional crystal of streptavidin observed by high-speed atomic force microscopy

    International Nuclear Information System (INIS)

    Yamamoto, Daisuke; Uchihashi, Takayuki; Kodera, Noriyuki; Ando, Toshio

    2008-01-01

    The diffusion of individual point defects in a two-dimensional streptavidin crystal formed on biotin-containing supported lipid bilayers was observed by high-speed atomic force microscopy. The two-dimensional diffusion of monovacancy defects exhibited anisotropy correlated with the two crystallographic axes in the orthorhombic C 222 crystal; in the 2D plane, one axis (the a-axis) is comprised of contiguous biotin-bound subunit pairs whereas the other axis (the b-axis) is comprised of contiguous biotin-unbound subunit pairs. The diffusivity along the b-axis is approximately 2.4 times larger than that along the a-axis. This anisotropy is ascribed to the difference in the association free energy between the biotin-bound subunit-subunit interaction and the biotin-unbound subunit-subunit interaction. The preferred intermolecular contact occurs between the biotin-unbound subunits. The difference in the intermolecular binding energy between the two types of subunit pair is estimated to be approximately 0.52 kcal mol -1 . Another observed dynamic behavior of point defects was fusion of two point defects into a larger defect, which occurred much more frequently than the fission of a point defect into smaller defects. The diffusivity of point defects increased with increasing defect size. The fusion and the higher diffusivity of larger defects are suggested to be involved in the mechanism for the formation of defect-free crystals

  17. A compensating point defect in carbon-doped GaN substrates studied with electron paramagnetic resonance spectroscopy

    Science.gov (United States)

    Willoughby, W. R.; Zvanut, M. E.; Paudel, Subash; Iwinska, M.; Sochacki, T.; Bockowski, M.

    2018-04-01

    Electron paramagnetic resonance (EPR) spectroscopy was used to investigate a type of point defect present in 1019 cm-3 carbon-doped GaN substrates grown by hydride vapor phase epitaxy. A broad, isotropic resonance at g ˜ 1.987 was observed at 3.5 K, and the EPR intensity increased with illumination at energies greater than 2.75 eV and decreased with photon energies greater than 0.95 eV. The latter is consistent with a deep level of 0.95 eV above the valence band maximum and implies that the associated defect likely participates in donor compensation. The ionization energy for this defect is close to the predicted value for the (-/0) transition level of CN and transition levels associated with Ga vacancies such as VGa and VGa-ON-2H.

  18. Effects of aging on identifying emotions conveyed by point-light walkers.

    Science.gov (United States)

    Spencer, Justine M Y; Sekuler, Allison B; Bennett, Patrick J; Giese, Martin A; Pilz, Karin S

    2016-02-01

    The visual system is able to recognize human motion simply from point lights attached to the major joints of an actor. Moreover, it has been shown that younger adults are able to recognize emotions from such dynamic point-light displays. Previous research has suggested that the ability to perceive emotional stimuli changes with age. For example, it has been shown that older adults are impaired in recognizing emotional expressions from static faces. In addition, it has been shown that older adults have difficulties perceiving visual motion, which might be helpful to recognize emotions from point-light displays. In the current study, 4 experiments were completed in which older and younger adults were asked to identify 3 emotions (happy, sad, and angry) displayed by 4 types of point-light walkers: upright and inverted normal walkers, which contained both local motion and global form information; upright scrambled walkers, which contained only local motion information; and upright random-position walkers, which contained only global form information. Overall, emotion discrimination accuracy was lower in older participants compared with younger participants, specifically when identifying sad and angry point-light walkers. In addition, observers in both age groups were able to recognize emotions from all types of point-light walkers, suggesting that both older and younger adults are able to recognize emotions from point-light walkers on the basis of local motion or global form. (c) 2016 APA, all rights reserved).

  19. Defects and defect processes in nonmetallic solids

    CERN Document Server

    Hayes, W

    2004-01-01

    This extensive survey covers defects in nonmetals, emphasizing point defects and point-defect processes. It encompasses electronic, vibrational, and optical properties of defective solids, plus dislocations and grain boundaries. 1985 edition.

  20. Point spread function due to multiple scattering of light in the atmosphere

    International Nuclear Information System (INIS)

    Pękala, J.; Wilczyński, H.

    2013-01-01

    The atmospheric scattering of light has a significant influence on the results of optical observations of air showers. It causes attenuation of direct light from the shower, but also contributes a delayed signal to the observed light. The scattering of light therefore should be accounted for, both in simulations of air shower detection and reconstruction of observed events. In this work a Monte Carlo simulation of multiple scattering of light has been used to determine the contribution of the scattered light in observations of a point source of light. Results of the simulations and a parameterization of the angular distribution of the scattered light contribution to the observed signal (the point spread function) are presented. -- Author-Highlights: •Analysis of atmospheric scattering of light from an isotropic point source. •Different geometries and atmospheric conditions were investigated. •A parameterization of scattered light distribution has been developed. •The parameterization allows one to easily account for the light scattering in air. •The results will be useful in analyses of observations of extensive air shower

  1. Ab initio study of point defects in PbSe and PbTe: Bulk and nanowire

    Energy Technology Data Exchange (ETDEWEB)

    Wrasse, E. O. [Instituto de Física, Universidade Federal de Uberlândia, 38408-100, Uberlândia, MG, Brazil and Departamento de Física, Universidade Federal de Santa Maria, 97105-900, Santa Maria, RS (Brazil); Venezuela, P. [Instituto de Física, Universidade Federal Fluminense, 24210-346, Niteroi, RJ (Brazil); Baierle, R. J., E-mail: rbaierle@smail.ufsm.br [Departamento de Física, Universidade Federal de Santa Maria, 97105-900, Santa Maria, RS (Brazil)

    2014-11-14

    First principles investigations, within the spin-polarized density functional theory, are performed to study energetic stability and electronic properties of point defects (vacancies and antisites) in PbSe and PbTe: bulk and nanowire (NW). Our results show that the energetic stability of these defects is ruled by relaxation process. These defects have lower formation energies in the nanowire structures as compared to the bulk, being more stable in the surface of the NWs. We also show that in the bulk system only one charge state is stable, otherwise, due to the larger band gaps, more than one charge state may be stable in the NWs. In addition, we have investigated how the presence of intrinsic defects affects the electronic properties of bulk and NW systems. Vacancies give rise to new electronic states near to the edges of the valence and conduction bands while the energetic position of the electronic states from antisites depends on the charge state, being localized inside the band gap or near the edges of the valence or conduction bands. We discuss how these changes in the electronic properties due to intrinsic defects may affect the thermoelectric properties of PbSe and PbTe NWs.

  2. Electron paramagnetic resonance of intrinsic point defects in GaAs following plastic deformation

    International Nuclear Information System (INIS)

    Benakki-Stiet, S.

    1988-01-01

    Defects generated in GaAs by a plastic deformation were studied to see if these defects, particularly anionic antisites associated with the deep donor EL2, were the same as those presented in the raw growth material, or the same as those which can be created in a high concentration by electron or neutron irradiation. Results show that there are different types of anionic antisites, so the subset associated with EL2 was identified. The apparent correlation between EL2 and dislocation density is discussed [fr

  3. Interaction of point intrinsic defects in n-type indium phosphide with acceptor clusters

    International Nuclear Information System (INIS)

    Vitovskij, N.A.; Lagunova, T.S.; Rakhimov, O.

    1984-01-01

    The rates of implanting defects of donor- and acceptor type stable at room temperature in n-InP during gamma irradiation are found to vary versus the compensating impurity type. Zinc atoms interact with defects most actively. Irradiation also brings about the growth of acceptor clusters, this growth being most markedly expressed in InP . The presence of an additional mechanism of charge-carriers scattering associated with the existence of clusters of compensating centres is verified, the temperature dependence of the effectiveness of this mechanism μ approximately Tsup(-1.2) is found

  4. On the diffusion process of irradiation-induced point defects in the stress field of a moving dislocation

    International Nuclear Information System (INIS)

    Steinbach, E.

    1987-01-01

    The cellular model of a dislocation is used for an investigation of the time-dependent diffusion process of irradiation-induced point defects interacting with the stress field of a moving dislocation. An analytic solution is given taking into account the elastic interaction due to the first-order size effect and the stress-induced interaction, the kinematic interaction due to the dislocation motion as well as the presence of secondary neutral sinks. The results for the space and time-dependent point defect concentration, represented in terms of Mathieu-Bessel and Mathieu-Hankel functions, emphasize the influence of the parameters which have been taken into consideration. Proceeding from these solutions, formulae for the diffusion flux reaching unit length of the dislocation, which plays an important role with regard to void swelling and irradiation-induced creep, are derived

  5. Cathodoluminescence investigation of Ge-point defects in silica-based optical fibers

    Energy Technology Data Exchange (ETDEWEB)

    Reghioua, I., E-mail: imene.reghioua@univ-st-etienne.fr [Univ-Lyon, Laboratoire H. Curien, UMR CNRS 5516, 18 rue du Pr. Benoît Lauras, 42000 Saint-Etienne (France); Girard, S.; Alessi, A.; Di Francesca, D. [Univ-Lyon, Laboratoire H. Curien, UMR CNRS 5516, 18 rue du Pr. Benoît Lauras, 42000 Saint-Etienne (France); Martin-Samos, L.; Fanetti, M. [Materials Research Laboratory, University of Nova Gorica, Vipavska 11c 5270-Ajdovscina (Slovenia); Richard, N.; Raine, M. [CEA, DAM, DIF, F91297, Arpajon (France); Valant, M. [Materials Research Laboratory, University of Nova Gorica, Vipavska 11c 5270-Ajdovscina (Slovenia); Boukenter, A.; Ouerdane, Y. [Univ-Lyon, Laboratoire H. Curien, UMR CNRS 5516, 18 rue du Pr. Benoît Lauras, 42000 Saint-Etienne (France)

    2016-11-15

    Cathodoluminescence (CL) measurements have been performed on Ge doped and Ge/F co-doped optical fibers, in the aim of studying the spatial distributions of the emitting precursor defects present in the as-drawn optical fiber as well as those of the radiation induced centers generated by the 10 keV electron exposure. Using the CL instrument, we recorded different emission bands located in the visible spectral domain (300–750 nm) as well as CL imaging of associated defects, with a spatial resolution of about 1 µm, along the fiber transverse cross sections. In the pristine fiber, Germanium Lone Pair Centers (GLPCs) emitting at 400 nm are the main precursor sites observed in both fibers. Whereas during electron exposure, these centers are converted into other Ge-related defects. In this paper, we studied in situ their bleaching kinetic using CL monochromatic imaging. As expected, our results show that the GLPC signal decreases with the electron fluence, confirming its precursor role. Thanks to the CL abilities, we also demonstrate that the GLPC conversion into radiation induced defects (and then its bleaching kinetic) depends on the germanium concentration, opening the way to a better control of the radiation sensitivity of germanosilicate glass.

  6. Role of point defects and additives in kinetics of hydrogen storage materials

    Science.gov (United States)

    van de Walle, Chris

    2010-03-01

    First-principles computational studies of hydrogen interactions with storage materials can provide direct insight into the processes of H uptake and release, and may help in developing guidelines for designing storage media with improved storage capacity and kinetics. One important conclusion is that the defects involved in kinetics of semiconducting or insulating H-storage materials are charged, and hence their formation energy is Fermi-level dependent and can be affected by the presence of impurities that change the Fermi level [1,2]. This provides an explanation for the role played by transition-metal impurities in the kinetics of NaAlH4 and related materials. Desorption of H and decomposition of NaAlH4 requires not only mass transport of H but also of Al and/or Na. This process is mediated by native defects. We have investigated the structure, stability, and migration enthalpy of native defects based on density functional theory. The results allow us to estimate diffusion activation energies for the defects that may be involved in mass transport. Most of the relevant defects exist in charge states other than neutral, and consideration of these charge states is essential for a proper description of kinetics. We propose specific new mechanisms to explain the observed activation energies and their dependence on the presence of impurities. We have also expanded our studies to materials other than NaAlH4. In the case of LiBH4 and Li4BN3H10 we have found that the calculations have predictive power in terms of identifying which impurities will actually enhance kinetics. Other complex hydrides that we are currently investigating include Li2NH and LiNH2. [4pt] [1] A. Peles and C. G. Van de Walle, Phys. Rev. B 76, 214101 (2007). [0pt] [2] C. G. Van de Walle, A. Peles, A. Janotti, and G. B. Wilson-Short, Physica B 404, 793 (2009).

  7. Guaranteeing Pointing Performance of the SDO Sun-Pointing Controllers in Light of Nonlinear Effects

    Science.gov (United States)

    Starin, Scott R.; Bourkland, Kristin L.

    2007-01-01

    The Solar Dynamics Observatory (SDO) mission is the first Space Weather Research Network mission, part of NASA s Living With a Star program.1 This program seeks to understand the changing Sun and its effects on the Solar System, life, and society. To this end, the SDO spacecraft will carry three Sun-observing instruments to geosynchronous orbit: Helioseismic and Magnetic Imager (HMI), led by Stanford University; Atmospheric Imaging Assembly (AIA), led by Lockheed Martin Space and Astrophysics Laboratory; and Extreme Ultraviolet Variability Experiment (EVE), led by the University of Colorado. Links describing the instruments in detail may be found through the SDO web site.2 The basic mission goals are to observe the Sun for a very high percentage of the 5-year mission (10-year goal) with long stretches of uninterrupted observations and with constant, high-data-rate transmission to a dedicated ground station. These goals guided the design of the spacecraft bus that will carry and service the three-instrument payload. At the time of this publication, the SDO spacecraft bus is well into the integration and testing phase at the NASA Goddard Space Flight Center (GSFC). A three-axis stabilized attitude control system (ACS) is needed both to point at the Sun accurately and to keep the roll about the Sun vector correctly positioned. The ACS has four reaction wheel modes and 2 thruster actuated modes. More details about the ACS in general and the control modes in particular can be found in Refs. [3-6]. All four of SDO s wheel-actuated control modes involve Sun-pointing controllers, as might be expected from such a mission. Science mode, during which most science data is collected, uses specialized guide telescopes to point accurately at the Sun. Inertial mode has two sub-modes, one tracks a Sun-referenced target orientation, and another maintains an absolute (star-referenced) target orientation, that both employ a Kalman filter to process data from a digital Sun sensor and

  8. Coding and decoding in a point-to-point communication using the polarization of the light beam.

    Science.gov (United States)

    Kavehvash, Z; Massoumian, F

    2008-05-10

    A new technique for coding and decoding of optical signals through the use of polarization is described. In this technique the concept of coding is translated to polarization. In other words, coding is done in such a way that each code represents a unique polarization. This is done by implementing a binary pattern on a spatial light modulator in such a way that the reflected light has the required polarization. Decoding is done by the detection of the received beam's polarization. By linking the concept of coding to polarization we can use each of these concepts in measuring the other one, attaining some gains. In this paper the construction of a simple point-to-point communication where coding and decoding is done through polarization will be discussed.

  9. Point defects induced in LiF by low energy electrons

    International Nuclear Information System (INIS)

    Baldacchini, Giuseppe; Montereali, Rosa Maria; Scacco, Augusto; Cremona, Marco; D'Auria, Giuliano.

    1997-09-01

    A systematic study of the coloring of LiF crystals and films irradiated by 3 keV electrons at various temperatures was carried out analysing their absorption and luminescence spectra. The three stage behaviour of the F coloring curve as a function of the irradiation dose was revealed and the saturation of the process was identified for the first time with this kind of radiation. The kinetics of the defect formation confirmed the expectations derived from the most comprehensive theoretical model developed to explain the coloring process. The irradiation temperature was found to have an influence on both the proportion of different defects created and on their stability and the overall coloring efficiency turned out to be higher when the irradiation was performed on films. Various explanations to these observations are put forward and discussed

  10. Point defects induced in LiF by low energy electrons

    Energy Technology Data Exchange (ETDEWEB)

    Baldacchini, Giuseppe; Montereali, Rosa Maria [ENEA, Centro Ricerche Frascati, Rome (Italy); Scacco, Augusto [Rome, Univ. (Italy). Dipt. di Fisica]|[INFM, Rome (Italy); Cremona, Marco; D`Auria, Giuliano

    1997-09-01

    A systematic study of the coloring of LiF crystals and films irradiated by 3 keV electrons at various temperatures was carried out analysing their absorption and luminescence spectra. The three stage behaviour of the F coloring curve as a function of the irradiation dose was revealed and the saturation of the process was identified for the first time with this kind of radiation. The kinetics of the defect formation confirmed the expectations derived from the most comprehensive theoretical model developed to explain the coloring process. The irradiation temperature was found to have an influence on both the proportion of different defects created and on their stability and the overall coloring efficiency turned out to be higher when the irradiation was performed on films. Various explanations to these observations are put forward and discussed.

  11. Effect of single point defects on the confinement losses of air-guiding photonic bandgap fibers

    Institute of Scientific and Technical Information of China (English)

    Shi Wei-Hua; Zhao Yan; Qian Li-Guo; Chen He-Ming

    2012-01-01

    The confinement losses in air-guiding photonic bandgap fibers (PBGFs) with air hole missing are studied with the full-vector finite-element method.It is confirmed that there are two loss peaks (1.555 and 1.598 μm) if there is a hole missing in the cladding far from the core.The closer to the core the hole missing is,the larger the confinement losses are,and even no mode could propagate in the core.The main power of the fundamental mode leaks from the core to the cladding defect.The quality of PBGFs can be improved through controlling the number and position of defects.

  12. Room-temperature ferromagnetism in graphite driven by 2D networks of point defects

    Czech Academy of Sciences Publication Activity Database

    Červenka, Jiří; Katsnelson, M.I.; Flipse, C.F.J.

    2009-01-01

    Roč. 5, č. 11 (2009), s. 840-844 ISSN 1745-2473 Institutional research plan: CEZ:AV0Z10100521 Keywords : ferromagnetism * graphite * defects * magnetic force microscopy * superconductive quantum interference device Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 15.491, year: 2009 http://www.nature.com/nphys/journal/v5/n11/full/nphys1399.html

  13. A postprocessing method based on chirp Z transform for FDTD calculation of point defect states in two-dimensional phononic crystals

    International Nuclear Information System (INIS)

    Su Xiaoxing; Wang Yuesheng

    2010-01-01

    In this paper, a new postprocessing method for the finite difference time domain (FDTD) calculation of the point defect states in two-dimensional (2D) phononic crystals (PNCs) is developed based on the chirp Z transform (CZT), one of the frequency zooming techniques. The numerical results for the defect states in 2D solid/liquid PNCs with single or double point defects show that compared with the fast Fourier transform (FFT)-based postprocessing method, the method can improve the estimation accuracy of the eigenfrequencies of the point defect states significantly when the FDTD calculation is run with relatively few iterations; and furthermore it can yield the point defect bands without calculating all eigenfrequencies outside the band gaps. The efficiency and accuracy of the FDTD method can be improved significantly with this new postprocessing method.

  14. A postprocessing method based on chirp Z transform for FDTD calculation of point defect states in two-dimensional phononic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Su Xiaoxing, E-mail: xxsu@bjtu.edu.c [School of Electronic and Information Engineering, Beijing Jiaotong University, Beijing 100044 (China); Wang Yuesheng [Institute of Engineering Mechanics, Beijing Jiaotong University, Beijing 100044 (China)

    2010-09-01

    In this paper, a new postprocessing method for the finite difference time domain (FDTD) calculation of the point defect states in two-dimensional (2D) phononic crystals (PNCs) is developed based on the chirp Z transform (CZT), one of the frequency zooming techniques. The numerical results for the defect states in 2D solid/liquid PNCs with single or double point defects show that compared with the fast Fourier transform (FFT)-based postprocessing method, the method can improve the estimation accuracy of the eigenfrequencies of the point defect states significantly when the FDTD calculation is run with relatively few iterations; and furthermore it can yield the point defect bands without calculating all eigenfrequencies outside the band gaps. The efficiency and accuracy of the FDTD method can be improved significantly with this new postprocessing method.

  15. Characterization of electrically-active defects in ultraviolet light-emitting diodes with laser-based failure analysis techniques

    International Nuclear Information System (INIS)

    Miller, Mary A.; Tangyunyong, Paiboon; Cole, Edward I.

    2016-01-01

    Laser-based failure analysis techniques demonstrate the ability to quickly and non-intrusively screen deep ultraviolet light-emitting diodes (LEDs) for electrically-active defects. In particular, two laser-based techniques, light-induced voltage alteration and thermally-induced voltage alteration, generate applied voltage maps (AVMs) that provide information on electrically-active defect behavior including turn-on bias, density, and spatial location. Here, multiple commercial LEDs were examined and found to have dark defect signals in the AVM indicating a site of reduced resistance or leakage through the diode. The existence of the dark defect signals in the AVM correlates strongly with an increased forward-bias leakage current. This increased leakage is not present in devices without AVM signals. Transmission electron microscopy analysis of a dark defect signal site revealed a dislocation cluster through the pn junction. The cluster included an open core dislocation. Even though LEDs with few dark AVM defect signals did not correlate strongly with power loss, direct association between increased open core dislocation densities and reduced LED device performance has been presented elsewhere [M. W. Moseley et al., J. Appl. Phys. 117, 095301 (2015)

  16. Characterization of electrically-active defects in ultraviolet light-emitting diodes with laser-based failure analysis techniques

    Energy Technology Data Exchange (ETDEWEB)

    Miller, Mary A.; Tangyunyong, Paiboon; Cole, Edward I. [Sandia National Laboratories, Albuquerque, New Mexico 87185-1086 (United States)

    2016-01-14

    Laser-based failure analysis techniques demonstrate the ability to quickly and non-intrusively screen deep ultraviolet light-emitting diodes (LEDs) for electrically-active defects. In particular, two laser-based techniques, light-induced voltage alteration and thermally-induced voltage alteration, generate applied voltage maps (AVMs) that provide information on electrically-active defect behavior including turn-on bias, density, and spatial location. Here, multiple commercial LEDs were examined and found to have dark defect signals in the AVM indicating a site of reduced resistance or leakage through the diode. The existence of the dark defect signals in the AVM correlates strongly with an increased forward-bias leakage current. This increased leakage is not present in devices without AVM signals. Transmission electron microscopy analysis of a dark defect signal site revealed a dislocation cluster through the pn junction. The cluster included an open core dislocation. Even though LEDs with few dark AVM defect signals did not correlate strongly with power loss, direct association between increased open core dislocation densities and reduced LED device performance has been presented elsewhere [M. W. Moseley et al., J. Appl. Phys. 117, 095301 (2015)].

  17. Characterisation of point defects in SiC by microscopic optical spectroscopy

    International Nuclear Information System (INIS)

    Evans, G.A.

    2001-09-01

    Defects have a dramatic effect on the properties of semiconductors. In SiC, intrinsic defects can be introduced during growth or device-processing steps such as implantation. In this work electron irradiation has been used for the controlled generation of defects in SiC. The irradiated material has been annealed and subsequent low temperature photoluminescence (LTPL) measurements have been performed. A key element in this work has been the ability to perform both the irradiation and characterisation on a microscopic scale. These results have allowed a variety of new optical centres to be discovered, and have also significantly enhanced the pool of knowledge about other defect centres. Utilising low voltage irradiations has enabled the electron irradiation voltage displacement thresholds for Carbon and Silicon displacements to be investigated. In 4H-SiC the electron irradiation voltage displacement thresholds were found to be 88kV for C displacement and 225kV for Si displacement. A large number of previously unreported luminescence features have been measured in 4H, 6H and 15R-SiC material. The criteria used for comparison are the voltage threshold, annealing characteristics, spatial distribution with respect to the irradiated region, and the characteristics of associated local modes and vibronic structures. Compelling evidence has been found to support the assignment of centres in 4H and 6H-SiC to a C-C dumbbell split interstitial defect. Two high energy local modes at 133meV and 180meV are associated with these centres. In 13 C enriched 6H-SiC material the 180meV local mode splits into three components whilst the 133meV local mode splits into two components. This splitting is interpreted as being caused by isotopic substitutions between the components of the C-C dumbbell. The high energy local mode corresponds to the bonding between the two constituent atoms of the dumbbell whilst the low energy local mode is associated with the bonding between either a C 13 or 12

  18. In-situ volumetric topography of IC chips for defect detection using infrared confocal measurement with active structured light

    International Nuclear Information System (INIS)

    Chen, Liang-Chia; Le, Manh-Trung; Phuc, Dao Cong; Lin, Shyh-Tsong

    2014-01-01

    The article presents the development of in-situ integrated circuit (IC) chip defect detection techniques for automated clipping detection by proposing infrared imaging and full-field volumetric topography. IC chip inspection, especially held during or post IC packaging, has become an extremely critical procedure in IC fabrication to assure manufacturing quality and reduce production costs. To address this, in the article, microscopic infrared imaging using an electromagnetic light spectrum that ranges from 0.9 to 1.7 µm is developed to perform volumetric inspection of IC chips, in order to identify important defects such as silicon clipping, cracking or peeling. The main difficulty of infrared (IR) volumetric imaging lies in its poor image contrast, which makes it incapable of achieving reliable inspection, as infrared imaging is sensitive to temperature difference but insensitive to geometric variance of materials, resulting in difficulty detecting and quantifying defects precisely. To overcome this, 3D volumetric topography based on 3D infrared confocal measurement with active structured light, as well as light refractive matching principles, is developed to detect defects the size, shape and position of defects in ICs. The experimental results show that the algorithm is effective and suitable for in-situ defect detection of IC semiconductor packaging. The quality of defect detection, such as measurement repeatability and accuracy, is addressed. Confirmed by the experimental results, the depth measurement resolution can reach up to 0.3 µm, and the depth measurement uncertainty with one standard deviation was verified to be less than 1.0% of the full-scale depth-measuring range. (paper)

  19. Developmental changes in emotion recognition from full-light and point-light displays of body movement.

    Science.gov (United States)

    Ross, Patrick D; Polson, Louise; Grosbras, Marie-Hélène

    2012-01-01

    To date, research on the development of emotion recognition has been dominated by studies on facial expression interpretation; very little is known about children's ability to recognize affective meaning from body movements. In the present study, we acquired simultaneous video and motion capture recordings of two actors portraying four basic emotions (Happiness Sadness, Fear and Anger). One hundred and seven primary and secondary school children (aged 4-17) and 14 adult volunteers participated in the study. Each participant viewed the full-light and point-light video clips and was asked to make a forced-choice as to which emotion was being portrayed. As a group, children performed worse than adults for both point-light and full-light conditions. Linear regression showed that both age and lighting condition were significant predictors of performance in children. Using piecewise regression, we found that a bilinear model with a steep improvement in performance until 8.5 years of age, followed by a much slower improvement rate through late childhood and adolescence best explained the data. These findings confirm that, like for facial expression, adolescents' recognition of basic emotions from body language is not fully mature and seems to follow a non-linear development. This is in line with observations of non-linear developmental trajectories for different aspects of human stimuli processing (voices and faces), perhaps suggesting a shift from one perceptual or cognitive strategy to another during adolescence. These results have important implications to understanding the maturation of social cognition.

  20. HPLC-DAD-ESI/MS identification of light harvesting and light screening pigments in the lake sediments at Edmonson Point.

    Science.gov (United States)

    Giovannetti, Rita; Alibabaei, Leila; Zannotti, Marco; Ferraro, Stefano; Petetta, Laura

    2013-01-01

    The composition of sedimentary pigments in the Antarctic lake at Edmonson Point has been investigated and compared with the aim to provide a useful analytical method for pigments separation and identification, providing reference data for future assessment of possible changes in environmental conditions. Reversed phase high performance liquid chromatography (HPLC) with electrospray-mass spectrometry (ESI-MS) detection and diode array detection (DAD) has been used to identify light screening and light harvesting pigments. The results are discussed in terms of local environmental conditions.

  1. HPLC-DAD-ESI/MS Identification of Light Harvesting and Light Screening Pigments in the Lake Sediments at Edmonson Point

    Directory of Open Access Journals (Sweden)

    Rita Giovannetti

    2013-01-01

    Full Text Available The composition of sedimentary pigments in the Antarctic lake at Edmonson Point has been investigated and compared with the aim to provide a useful analytical method for pigments separation and identification, providing reference data for future assessment of possible changes in environmental conditions. Reversed phase high performance liquid chromatography (HPLC with electrospray-mass spectrometry (ESI-MS detection and diode array detection (DAD has been used to identify light screening and light harvesting pigments. The results are discussed in terms of local environmental conditions.

  2. Use of Isobestic and Isoemission Points in Absorption and Luminescence Spectra for Study of the Transformation of Radiation Defects in Lithium Fluoride

    Science.gov (United States)

    Voitovich, A. P.; Kalinov, V. S.; Stupak, A. P.; Runets, L. P.

    2015-03-01

    Isobestic and isoemission points are recorded in the combined absorption and luminescence spectra of two types of radiation defects involved in complex processes consisting of several simultaneous parallel and sequential reactions. These points are observed if a constant sum of two terms, each formed by the product of the concentration of the corresponding defect and a characteristic integral coefficient associated with it, is conserved. The complicated processes involved in the transformation of radiation defects in lithium fluoride are studied using these points. It is found that the ratio of the changes in the concentrations of one of the components and the reaction product remains constant in the course of several simultaneous reactions.

  3. Effects of Light Intensity on Development and Chlorophyll Content in the Arabidopsis Mutant Plants with Defects in Photosynthesis

    Directory of Open Access Journals (Sweden)

    E.Yu. Garnik

    2015-12-01

    Full Text Available The developmental stages and adaptability to different light intensity (150 µmol*m-2*s-1 and 100 µmol*m-2*s-1 in Arabidopsis mutant lines with defects of photosynthetic apparatus were analyzed. Plant development in the mutant lines depended on the light intensity to varying degrees. Lines ch1-1 (lack of the chlorophyllide a oxygenase and rtn16 (decreased chlorophyll a and b amounts were the most susceptible to the light decrease. No one of the investigated lines demonstrated chlorophyll a/b rate alteration under the different light conditions. The depleted chlorophyll content has had the major effect on the mutant plants development under the different light conditions. The different chlorophyll a/b rate correlated with the different adaptability of mutant plants to low light.

  4. First principles calculation of point defects and mobility degradation in bulk AlSb for radiation detection application

    International Nuclear Information System (INIS)

    Lordi, V; Aberg, D; Erhart, P; Wu, K J

    2007-01-01

    The development of high resolution, room temperature semiconductor radiation detectors requires the introduction of materials with increased carrier mobility-lifetime (μτ) product, while having a band gap in the 1.4-2.2 eV range. AlSb is a promising material for this application. However, systematic improvements in the material quality are necessary to achieve an adequate μτ product. We are using a combination of simulation and experiment to develop a fundamental understanding of the factors which affect detector material quality. First principles calculations are used to study the microscopic mechanisms of mobility degradation from point defects and to calculate the intrinsic limit of mobility from phonon scattering. We use density functional theory (DFT) to calculate the formation energies of native and impurity point defects, to determine their equilibrium concentrations as a function of temperature and charge state. Perturbation theory via the Born approximation is coupled with Boltzmann transport theory to calculate the contribution toward mobility degradation of each type of point defect, using DFT-computed carrier scattering rates. A comparison is made to measured carrier concentrations and mobilities from AlSb crystals grown in our lab. We find our predictions in good quantitative agreement with experiment, allowing optimized annealing conditions to be deduced. A major result is the determination of oxygen impurity as a severe mobility killer, despite the ability of oxygen to compensation dope AlSb and reduce the net carrier concentration. In this case, increased resistivity is not a good indicator of improved material performance, due to the concomitant sharp reduction in μτ

  5. Influence of point defects on the performance of InVO4 photoanodes

    NARCIS (Netherlands)

    Van de Krol, R.; Ségalini, J.; Enache, C.S.

    2011-01-01

    The properties of thin film InVO4 photoanodes for water splitting have been studied. Compact films of InVO4 were prepared by spray pyrolysis and are found to be stable between pH 3 and 11. Although the indirect bandgap is 3.2 eV, a modest amount of visible light absorption is observed. The origin of

  6. Study of point defects and matter transport in cubic face centered concentrated alloys

    International Nuclear Information System (INIS)

    Hersant, D.

    1991-01-01

    It is shown that the second moment approximation to the tight binding method allows a functional to be set up which describes transition metals, noble metals and their alloys. It is assumed that the local electronic density of states is rectangular and that the width varies from site to site. It is then shown how the Monte Carlo method can be used to study order in solid solution with a large difference in size between components: atoms of different nature are exchanged and their neighbours are simultaneously displaced in accordance with the microscopic theory of elasticity. The phase diagram of the simulated alloys is then constructed. Experimental results are qualitatively well reproduced but transition temperatures are difficult to evaluate accurately because of a bad estimation of the vibration entropy. A local tendency towards ordering due to chemical effects is shown at the defect proximity. 40 figs., 100 refs

  7. Diffusion of antimony in silicon in the presence of point defects

    International Nuclear Information System (INIS)

    Yu Xiangkun; Ma, K.B.; Chen, Q.Y.; Wang Xuemei; Liu Jiarui; Chu, W.-K.; Shao Lin; Thompson, Phillip E.

    2007-01-01

    We have investigated the diffusion of Sb in Si in the presence of defects injected by high-energy implantation of Si ions at room temperature. MeV ion implantation increases the concentrations of vacancies, which induce transient-enhanced diffusion of Sb deposited in Si. We observed a significant enhancement of Sb diffusion. Secondary ions mass spectroscopy has been performed on the implanted samples before and after annealing. Rutherford-backscattering spectrometry has been used to characterize the high-energy implantation damage. By fitting diffusion profiles to a linear diffusive model, information about atomic scale diffusion of Sb, i.e. the generation rate of mobile state Sb and its mean migration length were extracted

  8. Physicochemical characterization of point defects in fluorine doped tin oxide films

    Science.gov (United States)

    Akkad, Fikry El; Joseph, Sudeep

    2012-07-01

    The physical and chemical properties of spray deposited FTO films are studied using FESEM, x-ray diffraction (XRD), x-ray photoelectron spectroscopy (XPS), electrical and optical measurements. The results of XRD measurements showed that the films are polycrystalline (grain size 20-50 nm) with Rutile structure and mixed preferred orientation along the (200) and (110) planes. An angular shift of the XRD peaks after F-doping is observed and interpreted as being due to the formation of substitutional fluorine defects (FO) in presence of high concentration of oxygen vacancies (VO) that are electrically neutral. The electrical neutrality of oxygen vacancies is supported by the observation that the electron concentration n is two orders of magnitude lower than the VO concentration calculated from chemical analyses using XPS measurements. It is shown that an agreement between XPS, XRD, and Hall effect results is possible provided that the degree of deviation from stoichiometry is calculated with the assumption that the major part of the bulk carbon content is involved in O-C bonds. High temperature thermal annealing is found to cause an increase in the FO concentration and a decrease in both n and VO concentrations with the increase of the annealing temperature. These results could be interpreted in terms of a high temperature chemical exchange reaction between the SnO2 matrix and a precipitated fluoride phase. In this reaction, fluorine is released to the matrix and Sn is trapped by the fluoride phase, thus creating substitutional fluorine FO and tin vacancy VSn defects. The enthalpy of this reaction is determined to be approximately 2.4 eV while the energy of formation of a VSn through the migration of SnSn host atom to the fluoride phase is approximately 0.45 eV.

  9. Maximum Power Point Tracking of Photovoltaic System for Traffic Light Application

    OpenAIRE

    Muhida, Riza; Mohamad, Nor Hilmi; Legowo, Ari; Irawan, Rudi; Astuti, Winda

    2013-01-01

    Photovoltaic traffic light system is a significant application of renewable energy source. The development of the system is an alternative effort of local authority to reduce expenditure for paying fees to power supplier which the power comes from conventional energy source. Since photovoltaic (PV) modules still have relatively low conversion efficiency, an alternative control of maximum power point tracking (MPPT) method is applied to the traffic light system. MPPT is intended to catch up th...

  10. Dataset reporting the perceiver identification rates of basic emotions expressed by male, female and ambiguous gendered walkers in full-light, point-light and synthetically modelled point-light walkers.

    Science.gov (United States)

    Halovic, Shaun; Kroos, Christian

    2017-12-01

    This data set describes the experimental data collected and reported in the research article "Walking my way? Walker gender and display format confounds the perception of specific emotions" (Halovic and Kroos, in press) [1]. The data set represent perceiver identification rates for different emotions (happiness, sadness, anger, fear and neutral), as displayed by full-light, point-light and synthetic point-light walkers. The perceiver identification scores have been transformed into H t rates, which represent proportions/percentages of correct identifications above what would be expected by chance. This data set also provides H t rates separately for male, female and ambiguously gendered walkers.

  11. HPLC-DAD-ESI/MS Identification of Light Harvesting and Light Screening Pigments in the Lake Sediments at Edmonson Point

    OpenAIRE

    Giovannetti, Rita; Alibabaei, Leila; Zannotti, Marco; Ferraro, Stefano; Petetta, Laura

    2013-01-01

    The composition of sedimentary pigments in the Antarctic lake at Edmonson Point has been investigated and compared with the aim to provide a useful analytical method for pigments separation and identification, providing reference data for future assessment of possible changes in environmental conditions. Reversed phase high performance liquid chromatography (HPLC) with electrospray-mass spectrometry (ESI-MS) detection and diode array detection (DAD) has been used to identify light screeni...

  12. Thermodynamic stability of boron : The role of defects and zero point motion

    NARCIS (Netherlands)

    van Setten, Michiel J.; Uijttewaal, Matthe A.; de Wijs, Gilles A.; de Groot, Robert A.

    2007-01-01

    Its low weight, high melting point, and large degree of hardness make elemental boron a technologically interesting material. The large number of allotropes, mostly containing over a hundred atoms in the unit cell, and their difficult characterization challenge both experimentalists and

  13. Thermodynamic Stability of Boron : The Role of Defects and Zero Point Motion

    NARCIS (Netherlands)

    Setten, Michiel J. van; Uijttewaal, Matthé A.; Wijs, Gilles A. de; Groot, Robert A. de

    2007-01-01

    Its low weight, high melting point, and large degree of hardness make elemental boron a technologically interesting material. The large number of allotropes, mostly containing over a hundred atoms in the unit cell, and their difficult characterization challenge both experimentalists and

  14. The establishment of atrial septal defect model with interventional management canine: its applied anatomy and technical points

    International Nuclear Information System (INIS)

    Zhu Yufeng; Huang Xinmiao; Bei Yuan; Wang Wei; Hu Jianqiang; Qin Yongwen

    2010-01-01

    Objective: To provide the relevant applied anatomic information for the preparation of atrial septal defect (ASD) model with transcatheter management in canine,and to discuss the technical points in making ASD model under DSA guidance. Methods: Anatomical measurements of the heart specimens,which were obtained from 15 healthy adult hybrid dogs (9 males and 6 females), were performed, from which the relevant anatomic parameters of the atrial septum were calculated. Cardiac 3D reconstruction with 64-sliced spiral CT scan was carried out in 5 dogs and the results were analyzed. According to the trans-illuminated position and angle obtained from 3D reconstruction images both the puncturing of the atrial septum with Brokenbrough needle and the balloon dilatation under fluoroscopic guidance were conducted in 20 dogs (body weight 17 -22 kg) to prepare ASD model. Results: The length and the width of the interauricular septum were (17.8 ± 4.3) mm and (14.5 ± 3.8) mm, respectively. The oval fossa was (11.2 ± 2.7) mm long and (8.7±1.9) mm wide. The distance from the central point of oval fossa to the central point of the orifice of coronary sinus was (7.2 ± 1.3) mm, which was (9.9 ± 1.5) mm to the center of the membranous atrial septum, (13.6 ± 3.1) mm to the middle point of septal tricuspid valve, (12.1 ± 2.3) mm to the central point of the bottom of aortic eminence and (11.3 ± 1.9) mm to the middle point of anterior bicuspid valve. The angle between atrial septal plane and sagittal plane was 15 degree ± 5 degree, and the angle between atrial septal plane and coronal plane was 75 degree ± 5 degree. Thus, the puncture of the interauricular septum was carried out with the dog in right anterior oblique position at 75 degree ± 5 degree. Of the total 20 dogs, ASD model was successfully established in 18, failure of the puncturing occurred in the remaining two, of which one died of cardiac tamponade after the procedure and the other one died of mistakenly puncturing

  15. Developmental changes in emotion recognition from full-light and point-light displays of body movement.

    Directory of Open Access Journals (Sweden)

    Patrick D Ross

    Full Text Available To date, research on the development of emotion recognition has been dominated by studies on facial expression interpretation; very little is known about children's ability to recognize affective meaning from body movements. In the present study, we acquired simultaneous video and motion capture recordings of two actors portraying four basic emotions (Happiness Sadness, Fear and Anger. One hundred and seven primary and secondary school children (aged 4-17 and 14 adult volunteers participated in the study. Each participant viewed the full-light and point-light video clips and was asked to make a forced-choice as to which emotion was being portrayed. As a group, children performed worse than adults for both point-light and full-light conditions. Linear regression showed that both age and lighting condition were significant predictors of performance in children. Using piecewise regression, we found that a bilinear model with a steep improvement in performance until 8.5 years of age, followed by a much slower improvement rate through late childhood and adolescence best explained the data. These findings confirm that, like for facial expression, adolescents' recognition of basic emotions from body language is not fully mature and seems to follow a non-linear development. This is in line with observations of non-linear developmental trajectories for different aspects of human stimuli processing (voices and faces, perhaps suggesting a shift from one perceptual or cognitive strategy to another during adolescence. These results have important implications to understanding the maturation of social cognition.

  16. Nonstoichiometry, point defects and magnetic properties in Sr2FeMoO6−δ double perovskites

    International Nuclear Information System (INIS)

    Kircheisen, R.; Töpfer, J.

    2012-01-01

    The phase stability, nonstoichiometry and point defect chemistry of polycrystalline Sr 2 FeMoO 6−δ (SFMO) was studied by thermogravimety at 1000, 1100, and 1200 °C. Single-phase SFMO exists between −10.2≤log pO 2 ≤−13.7 at 1200 °C. At lower oxygen partial pressure a mass loss signals reductive decomposition. At higher pO 2 a mass gain indicates oxidative decomposition into SrMoO 4 and SrFeO 3−x . The nonstoichiometry δ at 1000, 1100, and 1200 °C was determined as function of pO 2 . SFMO is almost stoichiometric at the upper phase boundary (e.g. δ=0.006 at 1200 °C and log pO 2 =−10.2) and becomes more defective with decreasing oxygen partial pressure (e.g. δ=0.085 at 1200 °C and log pO 2 =−13.5). Oxygen vacancies are shown to represent majority defects. From the temperature dependence of the oxygen vacancy concentration the defect formation enthalpy was estimated (ΔH OV =253±8 kJ/mol). Samples of different nonstoichiometry δ were prepared by quenching from 1200 °C at various pO 2 . An increase of the unit cell volume with increasing defect concentration δ was found. The saturation magnetization is reduced with increasing nonstoichiometry δ. This demonstrates that in addition to Fe/Mo site disorder, oxygen nonstoichiometry is another source of reduced magnetization values. - Graphical abstract: Nonstoichiometry δ of Sr 2 FeMoO 6−δ as function of oxygen partial pressure at 1000, 1100, and 1200 °C. Highlights: ► Sr 2 FeMoO 6−δ is stable at T=1200 °C at low pO 2 only. ► Nonstoichiometry δ measured at 1200, 1100, and 1000 °C. ► Increase of oxygen vacancy concentration with lower pO 2 . ► Reduction of magnetization with increasing nonstoichiometry δ.

  17. Bistability and biasing effects in the perception of ambiguous point-light walkers.

    Science.gov (United States)

    Vanrie, Jan; Dekeyser, Mathias; Verfaillie, Karl

    2004-01-01

    The perceptually bistable character of point-light walkers has been examined in three experiments. A point-light figure without explicit depth cues constitutes a perfectly ambiguous stimulus: from all viewpoints, multiple interpretations are possible concerning the depth orientation of the figure. In the first experiment, it is shown that non-lateral views of the walker are indeed interpreted in two orientations, either as facing towards the viewer or as facing away from the viewer, but that the interpretation in which the walker is oriented towards the viewer is reported more frequently. In the second experiment the point-light figure was walking backwards, making the global orientation of the point-light figure opposite to the direction of global motion. The interpretation in which the walker was facing the viewer was again reported more frequently. The robustness of these findings was examined in the final experiment, in which the effects of disambiguating the stimulus by introducing a local depth cue (occlusion) or a more global depth cue (applying perspective projection) were explored.

  18. Perceived Intensity of Emotional Point-Light Displays Is Reduced in Subjects with ASD

    Science.gov (United States)

    Krüger, Britta; Kaletsch, Morten; Pilgramm, Sebastian; Schwippert, Sven-Sören; Hennig, Jürgen; Stark, Rudolf; Lis, Stefanie; Gallhofer, Bernd; Sammer, Gebhard; Zentgraf, Karen; Munzert, Jörn

    2018-01-01

    One major characteristic of autism spectrum disorder (ASD) is problems with social interaction and communication. The present study explored ASD-related alterations in perceiving emotions expressed via body movements. 16 participants with ASD and 16 healthy controls observed video scenes of human interactions conveyed by point-light displays. They…

  19. Electromagnetic structure of spin-zero light nuclei from point of view of analyticity

    International Nuclear Information System (INIS)

    Dubnicka, S.; Dumbrajs, O.

    1975-01-01

    The analysis of spin-zero light nuclei electromagnetic form factors from the point of view of analyticity is carried out. The interpretation of diffraction minima in elastic electron-nucleus scattering as real zeros of form factors is advocated. The model-independent charge radii and charge distributions are calculated on the base of present-day experimental data

  20. Effects of LED or laser phototherapy on bone defects grafted with MTA and irradiated with laser or LED light: a comparative Raman spectroscopic study

    Science.gov (United States)

    Pinheiro, Antonio L. B.; Soares, Luiz G. P.; Barbosa, Artur Felipe S.; Silveira, Landulfo, Jr.

    2012-03-01

    We studied peaks of calcium hydroxyapatite - CHA on defects grafted with MTA, treated or not with Light Emitting Diode - LED or IR Laser. 54 rats were divided in 6 groups each subdivided into 3 subgroups (15,21,30d). LED (λ850 +/- 10nm) or IR Laser (λ850 nm) was applied over (LED) or in 4 points around the defect at 48 h intervals for 15 days. Raman readings were taken at the surface of the defect. The smaller overall intensity of the peak was found in Group MTA + Laser (1510.2 +/- 274.1) and the highest on Group LED (2322 +/- 715). There were no statistically significant differences between non-irradiated subjects on regards the CHA peaks. On the other hand, there were statistically significant differences between the Group Clot and LED, Clot and Laser, and Clot and MTA + Laser (p =0.01, p = 0.02, p = 0.003). There were no significant differences between Group MTA and MTA + LED (p=0.2) but significant differences were seen between Groups MTA and MTA + Laser (p=0.01). Significant differences were also observed between Groups LED and Laser (p <0.001) and between Groups MTA + LED and MTA + Laser (p=0.009). MTA, due to its characteristics, seemed to be directly affected by the light. However, the use of either phototherapy positively affected bone healing similarly as observed on different studies using other biomaterials. The overall analysis of our results indicated that the use of either light source resulted in a better, more advanced, and of quality bone repair.

  1. Combined effect of oxygen deficient point defects and Ni doping in radio frequency magnetron sputtering deposited ZnO thin films

    Energy Technology Data Exchange (ETDEWEB)

    Saha, B., E-mail: biswajit.physics@gmail.com [Thin Film and Nano Science Laboratory, Department of Physics, Jadavpur University, 700 032 Kolkata (India); Department of Physics, National Institute of Technology Agartala, Jirania 799046, Tripura (India); Das, N.S.; Chattopadhyay, K.K. [Thin Film and Nano Science Laboratory, Department of Physics, Jadavpur University, 700 032 Kolkata (India)

    2014-07-01

    Ni doped ZnO thin films with oxygen deficiency have been synthesized on glass substrates by radio frequency magnetron sputtering technique using argon plasma. The combined effect of point defects generated due to oxygen vacancies and Ni doping on the optical and electrical properties of ZnO thin films has been studied in this work. Ni doping concentrations were varied and the structural, optical and electrical properties of the films were studied as a function of doping concentrations. The films were characterized with X-ray diffractometer, UV–Vis–NIR spectrophotometer, X-ray photoelectron spectroscopy, atomic force microscopy and electrical conductivity measurements. Oxygen deficient point defects (Schottky defects) made the ZnO thin film highly conducting while incorporation of Ni dopant made it more functional regarding their electrical and optical properties. The films were found to have tunable electrical conductivity with Ni doping concentrations. - Highlights: • ZnO thin films prepared by radio frequency magnetron sputtering technique • Synthesis process was stimulated to introduce Schottky-type point defects. • Point defects and external doping of Ni made ZnO thin films more functional. • Point defect induced high electrical conductivity in ZnO thin film. • Significant shift in optical bandgap observed in ZnO with Ni doping concentrations.

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

    Energy Technology Data Exchange (ETDEWEB)

    Bhatia, M. A.; Solanki, K. N., E-mail: kiran.solanki@asu.edu [School for Engineering of Matter, Transport, and Energy, Arizona State University, Tempe, Arizona 85287 (United States); Groh, S. [Institute of Mechanics and Fluid Dynamics, TU Bergakademie Freiberg, Freiberg 09556 (Germany)

    2014-08-14

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

  3. The impact of mobile point defect clusters in a kinetic model of pressure vessel embrittlement

    International Nuclear Information System (INIS)

    Stoller, R.E.

    1998-05-01

    The results of recent molecular dynamics simulations of displacement cascades in iron indicate that small interstitial clusters may have a very low activation energy for migration, and that their migration is 1-dimensional, rather than 3-dimensional. The mobility of these clusters can have a significant impact on the predictions of radiation damage models, particularly at the relatively low temperatures typical of commercial, light water reactor pressure vessels (RPV) and other out-of-core components. A previously-developed kinetic model used to investigate RPV embrittlement has been modified to permit an evaluation of the mobile interstitial clusters. Sink strengths appropriate to both 1- and 3-dimensional motion of the clusters were evaluated. High cluster mobility leads to a reduction in the amount of predicted embrittlement due to interstitial clusters since they are lost to sinks rather than building up in the microstructure. The sensitivity of the predictions to displacement rate also increases. The magnitude of this effect is somewhat reduced if the migration is 1-dimensional since the corresponding sink strengths are lower than those for 3-dimensional diffusion. The cluster mobility can also affect the evolution of copper-rich precipitates in the model since the radiation-enhanced diffusion coefficient increases due to the lower interstitial cluster sink strength. The overall impact of the modifications to the model is discussed in terms of the major irradiation variables and material parameter uncertainties

  4. Point defect induced degradation of electrical properties of Ga2O3 by 10 MeV proton damage

    Science.gov (United States)

    Polyakov, A. Y.; Smirnov, N. B.; Shchemerov, I. V.; Yakimov, E. B.; Yang, Jiancheng; Ren, F.; Yang, Gwangseok; Kim, Jihyun; Kuramata, A.; Pearton, S. J.

    2018-01-01

    Deep electron and hole traps in 10 MeV proton irradiated high-quality β-Ga2O3 films grown by Hydride Vapor Phase Epitaxy (HVPE) on bulk β-Ga2O3 substrates were measured by deep level transient spectroscopy with electrical and optical injection, capacitance-voltage profiling in the dark and under monochromatic irradiation, and also electron beam induced current. Proton irradiation caused the diffusion length of charge carriers to decrease from 350-380 μm in unirradiated samples to 190 μm for a fluence of 1014 cm-2, and this was correlated with an increase in density of hole traps with optical ionization threshold energy near 2.3 eV. These defects most likely determine the recombination lifetime in HVPE β-Ga2O3 epilayers. Electron traps at Ec-0.75 eV and Ec-1.2 eV present in as-grown samples increase in the concentration after irradiation and suggest that these centers involve native point defects.

  5. PSFGAN: a generative adversarial network system for separating quasar point sources and host galaxy light

    Science.gov (United States)

    Stark, Dominic; Launet, Barthelemy; Schawinski, Kevin; Zhang, Ce; Koss, Michael; Turp, M. Dennis; Sartori, Lia F.; Zhang, Hantian; Chen, Yiru; Weigel, Anna K.

    2018-06-01

    The study of unobscured active galactic nuclei (AGN) and quasars depends on the reliable decomposition of the light from the AGN point source and the extended host galaxy light. The problem is typically approached using parametric fitting routines using separate models for the host galaxy and the point spread function (PSF). We present a new approach using a Generative Adversarial Network (GAN) trained on galaxy images. We test the method using Sloan Digital Sky Survey r-band images with artificial AGN point sources added that are then removed using the GAN and with parametric methods using GALFIT. When the AGN point source is more than twice as bright as the host galaxy, we find that our method, PSFGAN, can recover point source and host galaxy magnitudes with smaller systematic error and a lower average scatter (49 per cent). PSFGAN is more tolerant to poor knowledge of the PSF than parametric methods. Our tests show that PSFGAN is robust against a broadening in the PSF width of ± 50 per cent if it is trained on multiple PSFs. We demonstrate that while a matched training set does improve performance, we can still subtract point sources using a PSFGAN trained on non-astronomical images. While initial training is computationally expensive, evaluating PSFGAN on data is more than 40 times faster than GALFIT fitting two components. Finally, PSFGAN is more robust and easy to use than parametric methods as it requires no input parameters.

  6. A point defect model for the general and pitting corrosion on iron-oxide-electrolyte interface deduced from current oscillations

    CERN Document Server

    Pagitsas, M; Sazou, D

    2003-01-01

    Analysis of the passive-active oscillatory region of the Fe-0.75 M H sub 2 SO sub 4 system, perturbed by adding small amounts of halide species, allow the distinction between pitting and general corrosion. Complex periodic and aperiodic current oscillations characterize pitting corrosion whereas monoperiodic oscillations of a relaxation type indicate general corrosion. A point defect model (PDM) is considered for the microscopic description of the growth and breakdown of the iron oxide film. The physicochemical processes leading to different types of corrosion can be clarified in terms of the PDM. Occupation of an anion vacancy by a halide ion results in the localized attack of the passive oxide and pitting corrosion. On the other hand, the formation of surface soluble iron complexes is related to the uniform dissolution of the passive oxide and general corrosion.

  7. Monte-Carlo simulation of the evolution of point defects in solids under non-equilibrium conditions

    International Nuclear Information System (INIS)

    Maurice, Francoise; Doan, N.V.

    1981-11-01

    This report was written in order to serve as a guide for courageous users who want to tackle the problem of the evolution of point defect populations in a solid under non-equilibrium conditions by the Monte-Carlo technique. The original program, developed by Lanore in her swelling investigations on solids under irradiation by different particles, was generalized in order to take into account the effects and the phenomena related to the presence of solute atoms. Detailed descriptions of the simulation model, computational procedures and formulae used in the calculations are given. Two examples are shown to illustrate the applications to the swelling phenomenon: first, the effect to temperature or dose rate changes on void-swelling in electron-irradiated copper; second, the influence of solute atoms on the void nucleation in electron-irradiated nickel [fr

  8. New Analysis of Solute Drag in AA5754 by Precise Determination of Point Defect Generation and the Orowan Relation

    Science.gov (United States)

    Diak, Brad J.; Penlington, Alex; Saimoto, Shig

    Serrated deformation in Al-Mg alloys creates problems that affect consumer product acceptability. This effect is usually attributed to the Portevin-LeChâtelier effect. In this study the inverse PLC effect due to solute drag on moving dislocations is examined in AA5754. The drag mechanism is dependent on the diffusivity of the solute which is in-turn dependent on the point defect evolution during deformation. Experimental determination of the parabolic James-Barnett drag profile by strain rate change experiments indicates the peak stress is centered at 1.5×10-9m/s, which requires a mechanical formation energy for vacancies of 0.4eV/at. A new slip-based constitutive relation was used to determine the evolution of vacancy volume fraction with deformation with strain, which is greater than the volume fraction of vacancies predicted by the solute drag profile.

  9. Magnetic properties of point defect interaction with impurity atoms in Fe-Cr alloys

    Science.gov (United States)

    Nguyen-Manh, D.; Lavrentiev, M. Yu.; Dudarev, S. L.

    2009-04-01

    An integrated ab initio and statistical Monte Carlo investigation has been recently carried out to model the thermodynamic and kinetic properties of Fe-Cr alloys. We found that the conventional Fe-Cr phase diagram is not adequate at low temperature region where the magnetic contribution to the free energy plays an important role in the prediction of an ordered Fe 15Cr phase and its negative enthalpy of formation. The origin of the anomalous thermodynamic and magnetic properties of Fe-Cr alloys can be understood using a tight-binding Stoner model combined with the charge neutrality condition. We investigate the environmental dependence of magnetic moment distributions for various self-interstitial atom dumbbells configurations using spin density maps found using density functional theory calculations. The mixed dumbbell Fe-Cr and Fe-Mn binding energies are found to be positive due to magnetic interactions. Finally, we discuss the relationship between the migration energy of vacancy in Fe-Cr alloys and magnetism at the saddle point configuration.

  10. Impurity-related point defects and gamma-radiation response of massive quartz from the Borborema pegmatite province, in Brazil

    International Nuclear Information System (INIS)

    Miranda, Milena Ribas de; Gonzaga, Raysa Sthefany Gomes; Guzzo, Pedro Luiz; Barreto, Sandra de Brito; Melgarejo, Joan Carles

    2012-01-01

    This work has investigated the changes induced by γ-radiation on impurity-related point defects in massive rose quartz from one deposit located at The Borborema Pegmatite Province (Northeast Region, in Brazil). Samples extracted from rose and colorless (milky) quartz blocks were irradiated with doses of 60 Co, from 0.5 to 96 kGy. Point defects related to Al, Ge, Li and OH were measured by optical, infrared, and electron paramagnetic resonance spectroscopy, prior and after irradiation. The contents of Al, Li, Ge, Fe, Ti and other impurities were measured by inductively-coupled plasma mass spectrometry in quartz fragments exhibiting rose, pale-rose, and milky colorations. It was found that [AlO 4 ] 0 , [AlO 4 /H] 0 and [GeO 4 /Li] 0 were generated by the dissociation of [AlO 4 /Li] 0 and [Li-OH] centers with doses as lower as 0.5 kGy. Above 8 kGy, the electron paramagnetic resonance signal related to [GeO 4 /Li] 0 decreases due to the intense mobility of Li species throughout the quartz lattice, giving rise to E' 1 centers perturbed by Ge. The increase in [AlO 4 ] 0 content with γ doses and the consequent rise in the intensity of smoky color were similar for both rose and colorless quartz. Scanning electron microscopy carried out in insoluble residues obtained after chemical dissolution of each type of quartz revealed the presence of nanometric fibers only in rose specimens. These results suggested that the cause of rose color in massive quartz from Borborema Pegmatite Province is probably related to the presence of dumortierite inclusions. (author)

  11. Atomistic simulation of ideal shear strength, point defects, and screw dislocations in bcc transition metals: Mo as a prototype

    International Nuclear Information System (INIS)

    Xu, W.; Moriarty, J.A.

    1996-01-01

    Using multi-ion interatomic potentials derived from first-principles generalized pseudopotential theory, we have studied ideal shear strength, point defects, and screw dislocations in the prototype bcc transition metal molybdenum (Mo). Many-body angular forces, which are important to the structural and mechanical properties of such central transition metals with partially filled d bands, are accounted for in the present theory through explicit three- and four-ion potentials. For the ideal shear strength of Mo, our computed results agree well with those predicted by full electronic-structure calculations. For point defects in Mo, our calculated vacancy-formation and activation energies are in excellent agreement with experimental results. The energetics of six self-interstitial configurations have also been investigated. The left-angle 110 right-angle split dumbbell interstitial is found to have the lowest formation energy, in agreement with the configuration found by x-ray diffuse scattering measurements. In ascending order, the sequence of energetically stable interstitials is predicted to be left-angle 110 right-angle split dumbbell, crowdion, left-angle 111 right-angle split dumbbell, tetrahedral site, left-angle 001 right-angle split dumbbell, and octahedral site. In addition, the migration paths for the left-angle 110 right-angle dumbbell self-interstitial have been studied. The migration energies are found to be 3 endash 15 times higher than previous theoretical estimates obtained using simple radial-force Finnis-Sinclair potentials. Finally, the atomic structure and energetics of left-angle 111 right-angle screw dislocations in Mo have been investigated. We have found that the so-called open-quote open-quote easy close-quote close-quote core configuration has a lower formation energy than the open-quote open-quote hard close-quote close-quote one, consistent with previous theoretical studies. (Abstract Truncated)

  12. On the reflection point where light reflects to a known destination on quadratic surfaces.

    Science.gov (United States)

    Gonçalves, Nuno

    2010-01-15

    We address the problem of determining the reflection point on a specular surface where a light ray that travels from a source to a target is reflected. The specular surfaces considered are those expressed by a quadratic equation. So far, there is no closed form explicit equation for the general solution of this determination of the reflection point, and the usual approach is to use the Snell law or the Fermat principle whose equations are derived in multidimensional nonlinear minimizations. We prove in this Letter that one can impose a set of three restrictions to the reflection point that can impose a set of three restrictions that culminates in a very elegant formalism of searching the reflection point in a unidimensional curve in space. This curve is the intersection of two quadratic equations. Some applications of this framework are also discussed.

  13. PSFGAN: a generative adversarial network system for separating quasar point sources and host galaxy light

    Science.gov (United States)

    Stark, Dominic; Launet, Barthelemy; Schawinski, Kevin; Zhang, Ce; Koss, Michael; Turp, M. Dennis; Sartori, Lia F.; Zhang, Hantian; Chen, Yiru; Weigel, Anna K.

    2018-03-01

    The study of unobscured active galactic nuclei (AGN) and quasars depends on the reliable decomposition of the light from the AGN point source and the extended host galaxy light. The problem is typically approached using parametric fitting routines using separate models for the host galaxy and the point spread function (PSF). We present a new approach using a Generative Adversarial Network (GAN) trained on galaxy images. We test the method using Sloan Digital Sky Survey (SDSS) r-band images with artificial AGN point sources added which are then removed using the GAN and with parametric methods using GALFIT. When the AGN point source PS is more than twice as bright as the host galaxy, we find that our method, PSFGAN, can recover PS and host galaxy magnitudes with smaller systematic error and a lower average scatter (49%). PSFGAN is more tolerant to poor knowledge of the PSF than parametric methods. Our tests show that PSFGAN is robust against a broadening in the PSF width of ±50% if it is trained on multiple PSF's. We demonstrate that while a matched training set does improve performance, we can still subtract point sources using a PSFGAN trained on non-astronomical images. While initial training is computationally expensive, evaluating PSFGAN on data is more than 40 times faster than GALFIT fitting two components. Finally, PSFGAN it is more robust and easy to use than parametric methods as it requires no input parameters.

  14. Light scattering by epitaxial VO{sub 2} films near the metal-insulator transition point

    Energy Technology Data Exchange (ETDEWEB)

    Lysenko, Sergiy, E-mail: sergiy.lysenko@upr.edu; Fernández, Felix; Rúa, Armando; Figueroa, Jose; Vargas, Kevin; Cordero, Joseph [Department of Physics, University of Puerto Rico, Mayaguez, Puerto Rico 00681 (United States); Aparicio, Joaquin [Department of Physics, University of Puerto Rico-Ponce, Ponce, Puerto Rico 00732 (United States); Sepúlveda, Nelson [Department of Electrical and Computer Engineering, Michigan State University, East Lansing, Michigan 48824 (United States)

    2015-05-14

    Experimental observation of metal-insulator transition in epitaxial films of vanadium dioxide is reported. Hemispherical angle-resolved light scattering technique is applied for statistical analysis of the phase transition processes on mesoscale. It is shown that the thermal hysteresis strongly depends on spatial frequency of surface irregularities. The transformation of scattering indicatrix depends on sample morphology and is principally different for the thin films with higher internal elastic strain and for the thicker films where this strain is suppressed by introduction of misfit dislocations. The evolution of scattering indicatrix, fractal dimension, surface power spectral density, and surface autocorrelation function demonstrates distinctive behavior which elucidates the influence of structural defects and strain on thermal hysteresis, twinning of microcrystallites, and domain formation during the phase transition.

  15. The influence of point defects on the entropy profiles of Lithium Ion Battery cathodes: a lattice-gas Monte Carlo study

    International Nuclear Information System (INIS)

    Mercer, Michael P.; Finnigan, Sophie; Kramer, Denis; Richards, Daniel; Hoster, Harry E.

    2017-01-01

    In-situ diagnostic tools have become established to as a means to understanding the aging processes that occur during charge/discharge cycles in Li-ion batteries (LIBs). One electrochemical thermodynamic technique that can be applied to this problem is known as entropy profiling. Entropy profiles are obtained by monitoring the variation in the open circuit potential as a function of temperature. The peaks in these profiles are related to phase transitions, such as order/disorder transitions, in the lattice. In battery aging studies of cathode materials, the peaks become suppressed but the mechanism by which this occurs is currently poorly understood. One suggested mechanism is the formation of point defects. Intentional modifications of LIB electrodes may also lead to the introduction of point defects. To gain quantitative understanding of the entropy profile changes that could be caused by point defects, we have performed Monte Carlo simulations on lattices of variable defect content. As a model cathode, we have chosen manganese spinel, which has a well-described order-disorder transition when it is half filled with Li. We assume, in the case of trivalent defect substitution (M = Cr,Co) that each defect M permanently pins one Li atom. This assumption is supported by Density Functional Theory (DFT) calculations. Assuming that the distribution of the pinned Li sites is completely random, we observe the same trend in the change in partial molar entropy with defect content as observed in experiment: the peak amplitudes become increasing suppressed as the defect fraction is increased. We also examine changes in the configurational entropy itself, rather than the entropy change, as a function of the defect fraction and analyse these results with respect to the ones expected for an ideal solid solution. We discuss the implications of the quantitative differences between some of the results obtained from the model and the experimentally observed ones.

  16. STANDARDIZATION OF CUPPING THERAPY POINTS AND MECHANISM OF ACTION IN THE LIGHT OF SCIENCE

    OpenAIRE

    Dr. Izharul Hasan

    2018-01-01

    Now a day’s cupping therapy is an established therapeutic modality among Indian system of medicine as well as worldwide. Inspite of that, standard operative procedure (SOPs) for cupping therapy is yet to develop. In this paper author comprises the possible indications of cupping therapy along with procedures, application points, safety concerns, historical perspective, surgical operative standards described in traditional system of medicine as well as in the light of science. Cupping may be d...

  17. The thermal expansion of gold: point defect concentrations and pre-melting in a face-centred cubic metal.

    Science.gov (United States)

    Pamato, Martha G; Wood, Ian G; Dobson, David P; Hunt, Simon A; Vočadlo, Lidunka

    2018-04-01

    On the basis of ab initio computer simulations, pre-melting phenomena have been suggested to occur in the elastic properties of hexagonal close-packed iron under the conditions of the Earth's inner core just before melting. The extent to which these pre-melting effects might also occur in the physical properties of face-centred cubic metals has been investigated here under more experimentally accessible conditions for gold, allowing for comparison with future computer simulations of this material. The thermal expansion of gold has been determined by X-ray powder diffraction from 40 K up to the melting point (1337 K). For the entire temperature range investigated, the unit-cell volume can be represented in the following way: a second-order Grüneisen approximation to the zero-pressure volumetric equation of state, with the internal energy calculated via a Debye model, is used to represent the thermal expansion of the 'perfect crystal'. Gold shows a nonlinear increase in thermal expansion that departs from this Grüneisen-Debye model prior to melting, which is probably a result of the generation of point defects over a large range of temperatures, beginning at T / T m > 0.75 (a similar homologous T to where softening has been observed in the elastic moduli of Au). Therefore, the thermodynamic theory of point defects was used to include the additional volume of the vacancies at high temperatures ('real crystal'), resulting in the following fitted parameters: Q = ( V 0 K 0 )/γ = 4.04 (1) × 10 -18  J, V 0 = 67.1671 (3) Å 3 , b = ( K 0 ' - 1)/2 = 3.84 (9), θ D = 182 (2) K, ( v f /Ω)exp( s f / k B ) = 1.8 (23) and h f = 0.9 (2) eV, where V 0 is the unit-cell volume at 0 K, K 0 and K 0 ' are the isothermal incompressibility and its first derivative with respect to pressure (evaluated at zero pressure), γ is a Grüneisen parameter, θ D is the Debye temperature, v f , h f and s f are the vacancy formation volume, enthalpy and entropy

  18. Quantitative Analysis of VIIRS DNB Nightlight Point Source for Light Power Estimation and Stability Monitoring

    Directory of Open Access Journals (Sweden)

    Changyong Cao

    2014-12-01

    Full Text Available The high sensitivity and advanced onboard calibration on the Visible Infrared Imaging Radiometer Suite (VIIRS Day/Night Band (DNB enables accurate measurements of low light radiances which leads to enhanced quantitative applications at night. The finer spatial resolution of DNB also allows users to examine social economic activities at urban scales. Given the growing interest in the use of the DNB data, there is a pressing need for better understanding of the calibration stability and absolute accuracy of the DNB at low radiances. The low light calibration accuracy was previously estimated at a moderate 15% using extended sources while the long-term stability has yet to be characterized. There are also several science related questions to be answered, for example, how the Earth’s atmosphere and surface variability contribute to the stability of the DNB measured radiances; how to separate them from instrument calibration stability; whether or not SI (International System of Units traceable active light sources can be designed and installed at selected sites to monitor the calibration stability, radiometric and geolocation accuracy, and point spread functions of the DNB; furthermore, whether or not such active light sources can be used for detecting environmental changes, such as aerosols. This paper explores the quantitative analysis of nightlight point sources, such as those from fishing vessels, bridges, and cities, using fundamental radiometry and radiative transfer, which would be useful for a number of applications including search and rescue in severe weather events, as well as calibration/validation of the DNB. Time series of the bridge light data are used to assess the stability of the light measurements and the calibration of VIIRS DNB. It was found that the light radiant power computed from the VIIRS DNB data matched relatively well with independent assessments based on the in situ light installations, although estimates have to be

  19. Point defects and irradiation in oxides: simulations at the atomic scale; Defauts ponctuels et irradiation dans les oxydes: simulation a l'echelle atomique

    Energy Technology Data Exchange (ETDEWEB)

    Crocombette, J.P

    2005-12-15

    The studies done by Jean-Paul Crocombette between 1996 and 2005 in the Service de Recherches de Metallurgie Physique of the Direction de l'Energie Nucleaire in Saclay are presented in this Habilitation thesis. These works were part of the material science researches on the ageing, especially under irradiation, of oxides of interest for the nuclear industry. In this context simulation studies at the atomic scale were performed on two elementary components of ageing under irradiation : point defects and displacement cascades ; using two complementary simulation techniques : ab initio electronic structure calculations and empirical potential molecular dynamics. The first part deals with point defects : self defects (vacancies or interstitials) or hetero-atomic dopants. One first recalls the energetics of such defects in oxides, the specific features of defects calculations and the expected accuracy of these calculations. Then one presents the results obtained on uranium dioxide, oxygen in silver and amorphous silica. The second part tackles the modelling of disintegration recoil nuclei in various?displacement cascades created by crystalline matrices for actinide waste disposal. Cascade calculations give access to the amorphization mechanisms under irradiation of these materials. One thus predicts that the amorphization in zircon takes place directly in the tracks whereas in lanthanum zirconate, the amorphization proceeds through the accumulation of point defects. Finally the prospects of these studies are discussed. (author)

  20. Adsorption and Photodesorption of CO from Charged Point Defects on TiO 2 (110)

    Energy Technology Data Exchange (ETDEWEB)

    Mu, Rentao; Dahal, Arjun P.; Wang, Zhitao; Dohnalek, Zdenek; Kimmel, Gregory A.; Petrik, Nikolay G.; Lyubinetsky, Igor V.

    2017-09-12

    Adsorption and photodesorption of weakly-bound carbon monoxide, CO, from reduced and hydroxylated rutile TiO2(110) (r- and h- TiO2(110)) at sub-monolayer coverages is studied with atomically-resolved scanning tunneling microscopy (STM) along with ensemble-averaged temperature-programmed desorption (TPD) and angle-resolved photon-stimulated desorption (PSD) at low temperatures ( 50 K). STM data weighted by the concentration of each kind of adsorption sites on r-TiO2(110) give an adsorption probability which is the highest for the bridging oxygen vacancies (VO) and very low for the Ti5c sites closest to VO. Occupancy of the remaining Ti5c sites with CO is significant, but smaller than for VO. The probability distribution for the different adsorption sites corresponds to a very small difference in CO adsorption energies: < 0.02 eV. We also find that UV irradiation stimulates both diffusion and desorption of CO at low temperature. CO photodesorbs primarily from the vacancies with a bi-modal angular distribution. In addition to a major, normal to the surface component, there is a broader cosine component indicating scattering from the surface which likely also leads to photo-stimulated diffusion. Hydroxylation of VO’s does not significantly change the CO PSD yield and angular distribution, indicating that not atomic but rather electronic surface defects are involved in the site-specific PSD process. We suggest that photodesorption can be initiated by recombination of photo-generated holes with excess unpaired electrons localized near the surface point-defect (either VO or bridging hydroxyl), leading to the surface atoms rearrangement and ejection of the weakly-bound CO molecules.

  1. Invalid-point removal based on epipolar constraint in the structured-light method

    Science.gov (United States)

    Qi, Zhaoshuai; Wang, Zhao; Huang, Junhui; Xing, Chao; Gao, Jianmin

    2018-06-01

    In structured-light measurement, there unavoidably exist many invalid points caused by shadows, image noise and ambient light. According to the property of the epipolar constraint, because the retrieved phase of the invalid point is inaccurate, the corresponding projector image coordinate (PIC) will not satisfy the epipolar constraint. Based on this fact, a new invalid-point removal method based on the epipolar constraint is proposed in this paper. First, the fundamental matrix of the measurement system is calculated, which will be used for calculating the epipolar line. Then, according to the retrieved phase map of the captured fringes, the PICs of each pixel are retrieved. Subsequently, the epipolar line in the projector image plane of each pixel is obtained using the fundamental matrix. The distance between the corresponding PIC and the epipolar line of a pixel is defined as the invalidation criterion, which quantifies the satisfaction degree of the epipolar constraint. Finally, all pixels with a distance larger than a certain threshold are removed as invalid points. Experiments verified that the method is easy to implement and demonstrates better performance than state-of-the-art measurement systems.

  2. The resolution of point sources of light as analyzed by quantum detection theory

    Science.gov (United States)

    Helstrom, C. W.

    1972-01-01

    The resolvability of point sources of incoherent light is analyzed by quantum detection theory in terms of two hypothesis-testing problems. In the first, the observer must decide whether there are two sources of equal radiant power at given locations, or whether there is only one source of twice the power located midway between them. In the second problem, either one, but not both, of two point sources is radiating, and the observer must decide which it is. The decisions are based on optimum processing of the electromagnetic field at the aperture of an optical instrument. In both problems the density operators of the field under the two hypotheses do not commute. The error probabilities, determined as functions of the separation of the points and the mean number of received photons, characterize the ultimate resolvability of the sources.

  3. Resolution of point sources of light as analyzed by quantum detection theory.

    Science.gov (United States)

    Helstrom, C. W.

    1973-01-01

    The resolvability of point sources of incoherent thermal light is analyzed by quantum detection theory in terms of two hypothesis-testing problems. In the first, the observer must decide whether there are two sources of equal radiant power at given locations, or whether there is only one source of twice the power located midway between them. In the second problem, either one, but not both, of two point sources is radiating, and the observer must decide which it is. The decisions are based on optimum processing of the electromagnetic field at the aperture of an optical instrument. In both problems the density operators of the field under the two hypotheses do not commute. The error probabilities, determined as functions of the separation of the points and the mean number of received photons, characterize the ultimate resolvability of the sources.

  4. Research Update: Point defects in CdTexSe1−x crystals grown from a Te-rich solution for applications in detecting radiation

    International Nuclear Information System (INIS)

    Gul, R.; Roy, U. N.; Bolotnikov, A. E.; Camarda, G. S.; Cui, Y.; Hossain, A.; Yang, G.; James, R. B.; Lee, W.; Cui, Y.; Burger, A.

    2015-01-01

    We investigated cadmium telluride selenide (CdTeSe) crystals, newly grown by the Traveling Heater Method (THM), for the presence and abundance of point defects. Current Deep Level Transient spectroscopy (I-DLTS) was used to determine the energies of the traps, their capture cross sections, and densities. The bias across the detectors was varied from 1 to 30 V. Four types of point defects were identified, ranging from 10 meV to 0.35 eV. Two dominant traps at energies of 0.18 eV and 0.14 eV were studied in depth. Cd vacancies are found at lower concentrations than other point defects present in the material

  5. Combining the 3D model generated from point clouds and thermography to identify the defects presented on the facades of a building

    Science.gov (United States)

    Huang, Yishuo; Chiang, Chih-Hung; Hsu, Keng-Tsang

    2018-03-01

    Defects presented on the facades of a building do have profound impacts on extending the life cycle of the building. How to identify the defects is a crucial issue; destructive and non-destructive methods are usually employed to identify the defects presented on a building. Destructive methods always cause the permanent damages for the examined objects; on the other hand, non-destructive testing (NDT) methods have been widely applied to detect those defects presented on exterior layers of a building. However, NDT methods cannot provide efficient and reliable information for identifying the defects because of the huge examination areas. Infrared thermography is often applied to quantitative energy performance measurements for building envelopes. Defects on the exterior layer of buildings may be caused by several factors: ventilation losses, conduction losses, thermal bridging, defective services, moisture condensation, moisture ingress, and structure defects. Analyzing the collected thermal images can be quite difficult when the spatial variations of surface temperature are small. In this paper the authors employ image segmentation to cluster those pixels with similar surface temperatures such that the processed thermal images can be composed of limited groups. The surface temperature distribution in each segmented group is homogenous. In doing so, the regional boundaries of the segmented regions can be identified and extracted. A terrestrial laser scanner (TLS) is widely used to collect the point clouds of a building, and those point clouds are applied to reconstruct the 3D model of the building. A mapping model is constructed such that the segmented thermal images can be projected onto the 2D image of the specified 3D building. In this paper, the administrative building in Chaoyang University campus is used as an example. The experimental results not only provide the defect information but also offer their corresponding spatial locations in the 3D model.

  6. Solar Panel System for Street Light Using Maximum Power Point Tracking (MPPT Technique

    Directory of Open Access Journals (Sweden)

    Wiedjaja A.

    2014-03-01

    Full Text Available Solar energy is one form of the renewable energy which is very abundant in regions close to the equator. One application of solar energy is for street light. This research focuses on using the maximum power point tracking technique (MPPT, particularly the perturb and observe (P&O algorithm, to charge battery for street light system. The proposed charger circuit can achieve 20.73% higher power efficiency compared to that of non-MPPT charger. We also develop the LED driver circuit for the system which can achieve power efficiency up to 91.9% at a current of 1.06 A. The proposed street lightning system can be implemented with a relatively low cost for public areas.

  7. Edge and defect luminescence of powerful ultraviolet InGaN/GaN light-emitting diodes

    Energy Technology Data Exchange (ETDEWEB)

    Shamirzaev, V. T., E-mail: tim@isp.nsc.ru; Gaisler, V. A. [Novosibirsk State Technical University (Russian Federation); Shamirzaev, T. S. [Russian Academy of Science, Siberian Branch, Rzhanov Institute of Semiconductor Physics (Russian Federation)

    2016-11-15

    The spectrum of ultraviolet (UV) InGaN/GaN light-emitting diodes and its dependence on the current flowing through the structure are studied. The intensity of the UV contribution to the integrated diode luminescence increases steadily with increasing density of current flowing through the structure, despite a drop in the emission quantum efficiency. The electroluminescence excitation conditions that allow the fraction of UV emission to be increased to 97% are established. It is shown that the nonuniform generation of extended defects, which penetrate the active region of the light-emitting diodes as the structures degrade upon local current overheating, reduces the integrated emission intensity but does not affect the relative intensity of diode emission in the UV (370 nm) and visible (550 nm) spectral ranges.

  8. Simultaneous sensing of light and sound velocities of fluids in a two-dimensional phoXonic crystal with defects

    Energy Technology Data Exchange (ETDEWEB)

    Amoudache, Samira [Institut d' Electronique, de Microélectronique et de Nanotechnologie, Université de Lille 1, 59655 Villeneuve d' Ascq (France); Laboratoire de Physique et Chimie Quantique, Université Mouloud Mammeri, B.P. 17 RP, 15000 Tizi-Ouzou (Algeria); Pennec, Yan, E-mail: yan.pennec@univ-lille1.fr; Djafari Rouhani, Bahram [Institut d' Electronique, de Microélectronique et de Nanotechnologie, Université de Lille 1, 59655 Villeneuve d' Ascq (France); Khater, Antoine [Institut des Molécules et Matériaux du Mans UMR 6283 CNRS, Université du Maine, 72085 Le Mans (France); Lucklum, Ralf [Institute of Micro and Sensor Systems (IMOS), Otto-von-Guericke-University, Magdeburg (Germany); Tigrine, Rachid [Laboratoire de Physique et Chimie Quantique, Université Mouloud Mammeri, B.P. 17 RP, 15000 Tizi-Ouzou (Algeria)

    2014-04-07

    We theoretically investigate the potentiality of dual phononic-photonic (the so-called phoxonic) crystals for liquid sensing applications. We study the transmission through a two-dimensional (2D) crystal made of infinite cylindrical holes in a silicon substrate, where one row of holes oriented perpendicular to the propagation direction is filled with a liquid. The infiltrated holes may have a different radius than the regular holes. We show, in the defect structure, the existence of well-defined features (peaks or dips) in the transmission spectra of acoustic and optical waves and estimate their sensitivity to the sound and light velocity of the analyte. Some of the geometrical requirements behave in opposite directions when searching for an efficient sensing of either sound or light velocities. Hence, a compromise in the choice of the parameters may become necessary in making the phoxonic sensor.

  9. First-principles study on oxidation effects in uranium oxides and high-pressure high-temperature behavior of point defects in uranium dioxide

    Science.gov (United States)

    Geng, Hua Y.; Song, Hong X.; Jin, K.; Xiang, S. K.; Wu, Q.

    2011-11-01

    Formation Gibbs free energy of point defects and oxygen clusters in uranium dioxide at high-pressure high-temperature conditions are calculated from first principles, using the LSDA+U approach for the electronic structure and the Debye model for the lattice vibrations. The phonon contribution on Frenkel pairs is found to be notable, whereas it is negligible for the Schottky defect. Hydrostatic compression changes the formation energies drastically, making defect concentrations depend more sensitively on pressure. Calculations show that, if no oxygen clusters are considered, uranium vacancy becomes predominant in overstoichiometric UO2 with the aid of the contribution from lattice vibrations, while compression favors oxygen defects and suppresses uranium vacancy greatly. At ambient pressure, however, the experimental observation of predominant oxygen defects in this regime can be reproduced only in a form of cuboctahedral clusters, underlining the importance of defect clustering in UO2+x. Making use of the point defect model, an equation of state for nonstoichiometric oxides is established, which is then applied to describe the shock Hugoniot of UO2+x. Furthermore, the oxidization and compression behavior of uranium monoxide, triuranium octoxide, uranium trioxide, and a series of defective UO2 at 0 K are investigated. The evolution of mechanical properties and electronic structures with an increase of the oxidation degree are analyzed, revealing the transition of the ground state of uranium oxides from metallic to Mott insulator and then to charge-transfer insulator due to the interplay of strongly correlated effects of 5f orbitals and the shift of electrons from uranium to oxygen atoms.

  10. Point-source reconstruction with a sparse light-sensor array for optical TPC readout

    International Nuclear Information System (INIS)

    Rutter, G; Richards, M; Bennieston, A J; Ramachers, Y A

    2011-01-01

    A reconstruction technique for sparse array optical signal readout is introduced and applied to the generic challenge of large-area readout of a large number of point light sources. This challenge finds a prominent example in future, large volume neutrino detector studies based on liquid argon. It is concluded that the sparse array option may be ruled out for reasons of required number of channels when compared to a benchmark derived from charge readout on wire-planes. Smaller-scale detectors, however, could benefit from this technology.

  11. eLISA Telescope In-field Pointing and Scattered Light Study

    Science.gov (United States)

    Livas, J.; Sankar, S.; West, G.; Seals, L.; Howard, J.; Fitzsimons, E.

    2017-05-01

    The orbital motion of the three spacecraft that make up the eLISA Observatory constellation causes long-arm line of sight variations of approximately ± one degree over the course of a year. The baseline solution is to package the telescope, the optical bench, and the gravitational reference sensor (GRS) into an optical assembly at each end of the measurement arm, and then to articulate the assembly. An optical phase reference is exchanged between the moving optical benches with a single mode optical fiber (“backlink” fiber). An alternative solution, referred to as in-field pointing, embeds a steering mirror into the optical design, fixing the optical benches and eliminating the backlink fiber, but requiring the additional complication of a two-stage optical design for the telescope. We examine the impact of an in-field pointing design on the scattered light performance.

  12. Light trapping and circularly polarization at a Dirac point in 2D plasma photonic crystals

    Science.gov (United States)

    Li, Qian; Hu, Lei; Mao, Qiuping; Jiang, Haiming; Hu, Zhijia; Xie, Kang; Wei, Zhang

    2018-03-01

    Light trapping at the Dirac point in 2D plasma photonic crystal has been obtained. The new localized mode, Dirac mode, is attributable to neither photonic bandgap nor total internal reflection. It exhibits a unique algebraic profile and possesses a high-Q factor resonator of about 105. The Dirac point could be modulated by tuning the filling factor, plasma frequency and plasma cyclotron frequency, respectively. When a magnetic field parallel to the wave vector is applied, Dirac modes for right circularly polarized and left circularly polarized waves could be obtained at different frequencies, and the Q factor could be tuned. This property will add more controllability and flexibility to the design and modulation of novel photonic devices. It is also valuable for the possibilities of Dirac modes in photonic crystal containing other kinds of metamaterials.

  13. Maximum Power Point Tracking of Photovoltaic System for Traffic Light Application

    Directory of Open Access Journals (Sweden)

    Riza Muhida

    2013-07-01

    Full Text Available Photovoltaic traffic light system is a significant application of renewable energy source. The development of the system is an alternative effort of local authority to reduce expenditure for paying fees to power supplier which the power comes from conventional energy source. Since photovoltaic (PV modules still have relatively low conversion efficiency, an alternative control of maximum power point tracking (MPPT method is applied to the traffic light system. MPPT is intended to catch up the maximum power at daytime in order to charge the battery at the maximum rate in which the power from the battery is intended to be used at night time or cloudy day. MPPT is actually a DC-DC converter that can step up or down voltage in order to achieve the maximum power using Pulse Width Modulation (PWM control. From experiment, we obtained the voltage of operation using MPPT is at 16.454 V, this value has error of 2.6%, if we compared with maximum power point voltage of PV module that is 16.9 V. Based on this result it can be said that this MPPT control works successfully to deliver the power from PV module to battery maximally.

  14. [Suppression of visceral pain by action of the low intensity polarized light on acupuncture antinociceptive points].

    Science.gov (United States)

    Lymans'kyĭ, Iu P; Tamarova, Z A; Huliar, S O

    2003-01-01

    In experiments on mice, statistically authentic weakening of visceral pain has been shown after an action of low intensity polarized light from a device Bioptron on antinociceptive acupuncture points (AP). Pain was caused by an intraperitoneal injection of 2% acetic acid (0.1 ml/10 g). The intensity of pain was judged on duration and frequency of painful behavioral reactions (writhing, licking of abdomen), as well as on duration of sleep, eating and motor activity. In animals which immediately after injections of acetic acid were exposed to polarized light of low intensity for 10 min, applied on any of antinociceptive APs (E-36, E-43, VC-8, RP-6), the duration of painful behavioral reaction was determined to be reduced, while that of non-painful one increased. The comparison of the total duration of the writhing at control and experimental mice showed that an activation of AP E-43 induced the greatest analgesic effect (76.5%), from AP VC-8 it was 76.3%, from RP-6--46.8%, and from E-36--41.4%. We have concluded that the effect of polarized light of low intensity on APs was a convenient non-pharmacological method of treating visceral pain.

  15. Correlation of point defects in CdZnTe with charge transport:application to room-temperature x-ray and gamma-ray. Final Technical Report

    International Nuclear Information System (INIS)

    Giles, Nancy C.

    2003-01-01

    The primary goal of this project has been to characterize and identify point defects in CdZnTe. There are two experimental focus areas: (1) photoluminescence and EPR. Results are compared with radiation detector performance. Applications requiring room-temperature x-ray and gamma-ray detectors are rapidly increasing and now include nuclear medicine, space sciences, national security, environmental remediation, nonproliferation inspections, etc. To meet these needs, a new generation of detectors based on single crystals of cadmium zinc telluride (Cd 1-x Zn x Te) is being developed. This semiconductor material possesses many desirable detector properties, such as constituent atoms with high atomic number (Z), a sufficiently large band gap to minimize leakage currents at room temperature, and high intrinsic mobility-lifetime (p) products for electrons and holes. However, despite the tremendous promise of this material, problems clearly exist. CdZnTe crystals are difficult to grow in large sizes and with ultra-high purity. There is a need to further lower the leakage currents in detector-grade material and also to increase the efficiency of charge collection. In general, all aspects of carrier trapping in this material must be understood and minimized. Point defects are a primary reason CdZnTe crystals have not yet reached their expected levels of performance. Thus, a better understanding of the role of point defects and the larger microstructure defects on the transport of electrons and holes will lead to improved detector-grade CdZnTe. The primary goal of this project has been to characterize and identify point defects (e.g., impurities, vacancies, vacancy-impurity complexes, etc.) in CdZnTe and determine the mechanisms by which these defects influence the carrier μτ products. Special attention is given to the role of shallow donors, shallow acceptors, and deeper acceptors. There are two experimental focus areas in the project: (1) liquid-helium photoluminescence

  16. Broadband integrated mid infrared light sources as enabling technology for point of care mid-infrared spectroscopy

    Science.gov (United States)

    2017-08-20

    AFRL-AFOSR-JP-TR-2017-0061 Broadband integrated mid-infrared light sources as enabling technology for point-of-care mid- infrared spectroscopy Alex...mid-infrared light sources as enabling technology for point-of-care mid-infrared spectroscopy 5a.  CONTRACT NUMBER 5b.  GRANT NUMBER FA2386-16-1-4037...Broadband integrated mid-infrared light sources as enabling technology for point-of-care mid- infrared spectroscopy ” Date: 16th August 2017 Name

  17. A review on the effects of TiO2 surface point defects on CO2 photoreduction with H2O

    Directory of Open Access Journals (Sweden)

    Huilei Zhao

    2017-03-01

    Full Text Available Photocatalytic reduction of CO2 with water by photocatalysts such as TiO2 to produce solar fuels is an attractive approach to alleviate the environmental influences of greenhouse gases and in the meantime produce valuable carbon-neutral fuels. Among the materials properties that affect catalytic activity of CO2 photoreduction, the point defect on TiO2 is one of the most important but not frequently addressed and well understood in the literature. In this review, we have examined the major influences of TiO2 point defects on CO2 photoreduction with H2O, by changing the catalysts' gas adsorption capabilities, optical properties, and electronic structures. In addition, the performances of various defective TiO2 toward CO2 photoreduction are summarized and compared in terms of productivity, selectivity, and stability. We hope this review can contribute to understanding the mechanism of CO2 photoreduction on defective TiO2 and provide insights to the design of highly efficient defect-rich TiO2 to boost the CO2 utilization.

  18. Production and aging of paramagnetic point defects in P-doped floating zone silicon irradiated with high fluence 27 MeV electrons

    Science.gov (United States)

    Joita, A. C.; Nistor, S. V.

    2018-04-01

    Enhancing the long term stable performance of silicon detectors used for monitoring the position and flux of the particle beams in high energy physics experiments requires a better knowledge of the nature, stability, and transformation properties of the radiation defects created over the operation time. We report the results of an electron spin resonance investigation in the nature, transformation, and long term stability of the irradiation paramagnetic point defects (IPPDs) produced by high fluence (2 × 1016 cm-2), high energy (27 MeV) electrons in n-type, P-doped standard floating zone silicon. We found out that both freshly irradiated and aged (i.e., stored after irradiation for 3.5 years at 250 K) samples mainly contain negatively charged tetravacancy and pentavacancy defects in the first case and tetravacancy defects in the second one. The fact that such small cluster vacancy defects have not been observed by irradiation with low energy (below 5 MeV) electrons, but were abundantly produced by irradiation with neutrons, strongly suggests the presence of the same mechanism of direct formation of small vacancy clusters by irradiation with neutrons and high energy, high fluence electrons, in agreement with theoretical predictions. Differences in the nature and annealing properties of the IPPDs observed between the 27 MeV electrons freshly irradiated, and irradiated and aged samples were attributed to the presence of a high concentration of divacancies in the freshly irradiated samples, defects which transform during storage at 250 K through diffusion and recombination processes.

  19. On the application of the weak-beam technique to the determination of the sizes of small point-defect clusters in ion-irradiated copper

    International Nuclear Information System (INIS)

    Jenkins, M. L.

    1998-01-01

    We have made an analysis of the conditions necessary for the successful use of the weak-beam technique for identifying and characterizing small point-defect clusters in ion-irradiated copper. The visibility of small defects was found to depend only weakly on the magnitude of the beam-convergence. In general, the image sizes of small clusters were found to be most sensitive to the magnitude of Sa with the image sizes of some individual defects changing by large amounts with changes as small as 0.025 nm -1 . The most reliable information on the true defect size is likely to be obtained by taking a series of 5-9 micrographs with a systematic variation of deviation parameter from 0.2-0.3 nm -1 . This procedure allows size information to be obtained down to a resolution limit of about 0.5 nm for defects situated throughout a foil thickness of 60 nm. The technique has been applied to the determination of changes in the sizes of small defects produced by a low-temperature in-situ irradiation and annealing experiment

  20. Long term simulation of point defect cluster size distributions from atomic displacement cascades in Fe70Cr20Ni10

    International Nuclear Information System (INIS)

    Souidi, A.; Hou, M.; Becquart, C.S.; Domain, C.; De Backer, A.

    2015-01-01

    We have used an Object Kinetic Monte Carlo (OKMC) model to simulate the long term evolution of the primary damage in Fe 70 Cr 20 Ni 10 alloys. The mean number of Frenkel pairs created by different Primary Knocked on Atoms (PKA) was estimated by Molecular Dynamics using a ternary EAM potential developed in the framework of the PERFORM-60 European project. This number was then used to obtain the vacancy–interstitial recombination distance required in the calculation of displacement cascades in the Binary Collision Approximation (BCA) with code MARLOWE (Robinson, 1989). The BCA cascades have been generated in the 10–100 keV range with the MARLOWE code and two different screened Coulomb potentials, namely, the Molière approximation to the Thomas–Fermi potential and the so-called “Universal” potential by Ziegler, Biersack and Littmark (ZBL). These cascades have been used as input to the OKMC code LAKIMOCA (Domain et al., 2004), with a set of parameters for describing the mobility of point defect clusters based on ab initio calculations and experimental data. The cluster size distributions have been estimated for irradiation doses of 0.1 and 1 dpa, and a dose rate of 10 −7 dpa/s at 600 K. We demonstrate that, like in the case of BCC iron, cluster size distributions in the long term are independent of the cascade energy and that the recursive cascade model suggested for BCC iron in Souidi et al. (2011) also applies to FCC Fe 70 Cr 20 Ni 10. The results also show that the influence of the BCA potential is sizeable but the qualitative correspondence in the predicted long term evolution is excellent

  1. On the interplay between phonon-boundary scattering and phonon-point-defect scattering in SiGe thin films

    Science.gov (United States)

    Iskandar, A.; Abou-Khalil, A.; Kazan, M.; Kassem, W.; Volz, S.

    2015-03-01

    This paper provides theoretical understanding of the interplay between the scattering of phonons by the boundaries and point-defects in SiGe thin films. It also provides a tool for the design of SiGe-based high-efficiency thermoelectric devices. The contributions of the alloy composition, grain size, and film thickness to the phonon scattering rate are described by a model for the thermal conductivity based on the single-mode relaxation time approximation. The exact Boltzmann equation including spatial dependence of phonon distribution function is solved to yield an expression for the rate at which phonons scatter by the thin film boundaries in the presence of the other phonon scattering mechanisms. The rates at which phonons scatter via normal and resistive three-phonon processes are calculated by using perturbation theories with taking into account dispersion of confined acoustic phonons in a two dimensional structure. The vibrational parameters of the model are deduced from the dispersion of confined acoustic phonons as functions of temperature and crystallographic direction. The accuracy of the model is demonstrated with reference to recent experimental investigations regarding the thermal conductivity of single-crystal and polycrystalline SiGe films. The paper describes the strength of each of the phonon scattering mechanisms in the full temperature range. Furthermore, it predicts the alloy composition and film thickness that lead to minimum thermal conductivity in a single-crystal SiGe film, and the alloy composition and grain size that lead to minimum thermal conductivity in a polycrystalline SiGe film.

  2. Variation in the Level of Grain Defect Light Flecks and Spots on Cattle Hides

    Science.gov (United States)

    Nafstad, O; Grønstøl, H

    2001-01-01

    The occurrence of hide damage light flecks and spots was determined on tanned hides from 28 herds during a period of 8 to 12 months. Light flecks and spots are described as small areas of grain loss up to 3 mm in diameter that are seen on dyed crust cattle leather. Damage was found on 75.8% of all hides. The neck and shoulders were the anatomical region with the highest prevalence of damage. Sixty-eight per cent of all hides had light flecks and spots in this region. The forelimbs and dewlap were the anatomical region with the second highest occurrence with a prevalence of 39.1%. This distribution corresponded to the known distribution of lice in cattle. No significant differences were observed in age, sex, prevalence of lice in the herd assessed in March or infestations with different lice species. The frequency of light flecks and spots varied significantly during the year. The frequency was highest in the late winter and early spring, decreased significantly during the summer and was lowest in the autumn. This variation supported the importance of lice in the development of light flecks and spots and suggested a relatively long healing period for the damages induced by lice. PMID:11455905

  3. Light Enhanced Hydrofluoric Acid Passivation: A Sensitive Technique for Detecting Bulk Silicon Defects

    Science.gov (United States)

    Grant, Nicholas E.

    2016-01-01

    A procedure to measure the bulk lifetime (>100 µsec) of silicon wafers by temporarily attaining a very high level of surface passivation when immersing the wafers in hydrofluoric acid (HF) is presented. By this procedure three critical steps are required to attain the bulk lifetime. Firstly, prior to immersing silicon wafers into HF, they are chemically cleaned and subsequently etched in 25% tetramethylammonium hydroxide. Secondly, the chemically treated wafers are then placed into a large plastic container filled with a mixture of HF and hydrochloric acid, and then centered over an inductive coil for photoconductance (PC) measurements. Thirdly, to inhibit surface recombination and measure the bulk lifetime, the wafers are illuminated at 0.2 suns for 1 min using a halogen lamp, the illumination is switched off, and a PC measurement is immediately taken. By this procedure, the characteristics of bulk silicon defects can be accurately determined. Furthermore, it is anticipated that a sensitive RT surface passivation technique will be imperative for examining bulk silicon defects when their concentration is low (<1012 cm-3). PMID:26779939

  4. Engineering a light-emitting planar defect within three-dimensional photonic crystals

    Directory of Open Access Journals (Sweden)

    Guiqiang Liu, Yan Chen and Zhiqing Ye

    2009-01-01

    Full Text Available Sandwich structures, constructed from a planar defect of rhodamine-B (RhB-doped titania (TiO2 and two photonic crystals, were synthesized via the self-assembly method combined with spin-coating. The modification of the spontaneous emission of RhB molecules in such structures was investigated experimentally. The spontaneous emission of RhB-doped TiO2 film with photonic crystals was reduced by a factor of 5.5 over a large bandwidth of 13% of the first-order Bragg diffraction frequency when compared with that of RhB-doped TiO2 film without photonic crystals. The angular dependence of the modification and the photoluminescence lifetime of RhB molecules demonstrate that the strong and wide suppression of the spontaneous emission of the RhB molecules is due to the presence of the photonic band gap.

  5. Engineering a light-emitting planar defect within three-dimensional photonic crystals

    Science.gov (United States)

    Liu, Guiqiang; Chen, Yan; Ye, Zhiqing

    2009-01-01

    Sandwich structures, constructed from a planar defect of rhodamine-B (RhB)-doped titania (TiO2) and two photonic crystals, were synthesized via the self-assembly method combined with spin-coating. The modification of the spontaneous emission of RhB molecules in such structures was investigated experimentally. The spontaneous emission of RhB-doped TiO2 film with photonic crystals was reduced by a factor of 5.5 over a large bandwidth of 13% of the first-order Bragg diffraction frequency when compared with that of RhB-doped TiO2 film without photonic crystals. The angular dependence of the modification and the photoluminescence lifetime of RhB molecules demonstrate that the strong and wide suppression of the spontaneous emission of the RhB molecules is due to the presence of the photonic band gap. PMID:27877309

  6. Fundamental radiation effects in αAg-Zn alloys: Zener relaxation, study of the mobility of point defects and the evolution of their populations in a particle flux

    International Nuclear Information System (INIS)

    Halbwachs, Michel.

    1977-01-01

    After a recall on the physical effects of radiations, a model used to describe the defect populations produced in a fast particle flux is presented. The experimental devices used and the measurements carried out on a solid solution of αAg-Zn are described. The results obtained in an electron flux are compared with the forecastings of the theoretical models. The mobility and the apparent recombination radius of vacancies and autointerstitials, the absorption efficiency of dislocations in regard to point defects and the participation of autointerstitials to short-range order are studied. A similar study carried out under neutron irradiation is reported. The influence of neutron doses and temperature on atomic mobility is investigated. An experiment carried out under gamma photon irradiation enables a comparison to be made between the creation of defects by gamma photons and electrons [fr

  7. Influence of the λ780nm laser light on the repair of surgical bone defects grafted or not with biphasic synthetic micro-granular hydroxylapatite+Beta-Calcium triphosphate.

    Science.gov (United States)

    Soares, Luiz Guilherme P; Marques, Aparecida Maria C; Guarda, Milena G; Aciole, Jouber Mateus S; dos Santos, Jean Nunes; Pinheiro, Antonio Luiz B

    2014-02-05

    The treatment of bone loss due to different etiologic factors is difficult and many techniques aim to improve repair, including a wide range of biomaterials and, recently, photobioengineering. This work aimed to assess, through histological analysis The aim of this study was to assess, by light microscopy, the repair of bone defects grafted or not with biphasic synthetic micro-granular Calcium hydroxyapatite (HA)+Beta-TCP associated or not with Laser phototherapy - LPT (λ780nm). Forty rats were divided into 4 groups each subdivided into 2 subgroups according to the time of sacrifice (15 and 30days). Surgical bone defects were made on femur of each animal with a trephine drill. On animals of Clot group the defect was filled only by blood clot, on Laser group the defect filled with the clot was further irradiated. On animals of Biomaterial and Laser+Biomaterial groups the defect was filled by biomaterial and the last one was further irradiated (λ780nm, 70mW, spot size∼0.4cm(2), 20J/cm(2)-session, 140J/cm(2)-treatment) in four points around the defect at 48-h intervals and repeated for 2weeks. At both 15th and 30th days following sacrifice, samples were taken and analyzed by light microscopy. Many similarities were observed histologically between groups on regards bone reabsorption and neoformation, inflammatory infiltrate and collagen deposition. The criterion degree of maturation, marked by the presence of basophilic lines, indicated that the use of LPT associated with HA+Beta TCP graft, resulted in more advanced stage of bone repair at the end of the experiment. Copyright © 2014 Elsevier B.V. All rights reserved.

  8. Continuous improvements of defectivity rates in immersion photolithography via functionalized membranes in point-of-use photochemical filtration

    Science.gov (United States)

    D'Urzo, Lucia; Bayana, Hareen; Vandereyken, Jelle; Foubert, Philippe; Wu, Aiwen; Jaber, Jad; Hamzik, James

    2017-03-01

    Specific "killer-defects", such as micro-line-bridges are one of the key challenges in photolithography's advanced applications, such as multi-pattern. These defects generate from several sources and are very difficult to eliminate. Pointof-use filtration (POU) plays a crucial role on the mitigation, or elimination, of such defects. Previous studies have demonstrated how the contribution of POU filtration could not be studied independently from photoresists design and track hardware settings. Specifically, we investigated how an effective combination of optimized photoresist, filtration rate, filtration pressure, membrane and device cleaning, and single and multilayer filter membranes at optimized pore size could modulate the occurrence of such defects [1, 2, 3 and 4]. However, the ultimate desired behavior for POU filtration is the selective retention of defect precursor molecules contained in commercially available photoresist. This optimal behavior can be achieved via customized membrane functionalization. Membrane functionalization provides additional non-sieving interactions which combined with efficient size exclusion can selectively capture certain defect precursors. The goal of this study is to provide a comprehensive assessment of membrane functionalization applied on an asymmetric ultra-high molecular weight polyethylene (UPE) membrane at different pore size. Defectivity transferred in a 45 nm line 55 nm space (45L/55S) pattern, created through 193 nm immersion (193i) lithography with a positive tone chemically amplified resist (PT-CAR), has been evaluated on organic under-layer coated wafers. Lithography performance, such as critical dimensions (CD), line width roughness (LWR) and focus energy matrix (FEM) is also assessed.

  9. High energy ion irradiated III-N semiconductors (AlN, GaN, InN): study of point defect and extended defect creation

    International Nuclear Information System (INIS)

    Sall, Mamour

    2013-01-01

    Nitride semiconductors III N (AlN, GaN, InN) have interesting properties for micro-and opto-electronic applications. In use, they may be subjected to different types of radiation in a wide range of energy. In AlN, initially considered insensitive to electronic excitations (Se), we have demonstrated a novel type of synergy between Se and nuclear collisions (Sn) for the creation of defects absorbing at 4.7 eV. In addition, another effect of Se is highlighted in AlN: climb of screw dislocations under the influence of Se, at high fluence. In GaN, two mechanisms can explain the creation of defects absorbing at 2.8 eV: a synergy between Se and Sn, or a creation only due to Sn but with a strong effect of the size of displacement cascades. The study, by TEM, of the effects of Se in the three materials, exhibits behaviors highly dependent on the material while they all belong to the same family with the same atomic structure. Under monoatomic ion irradiations (velocity between 0.4 and 5 MeV/u), while discontinuous tracks are observed in GaN and InN, no track is observed in AlN with the highest electronic stopping power (33 keV/nm). Only fullerene clusters produce tracks in AlN. The inelastic thermal spike model was used to calculate the energies required to produce track in AlN, GaN and InN, they are 4.2 eV/atom, 1.5 eV/atom and 0.8 eV/atom, respectively. This sensitivity difference according to Se, also occurs at high fluence. (author)

  10. Direct observation of the point-defect structure of depleted-zones in ion-irradiated metals

    International Nuclear Information System (INIS)

    Wei, C.

    1978-01-01

    The point-defect structure of individual depleted zones has been studied systematically. Four-pass zone-refined tungsten field-ion microscope (FIM) specimens were irradiated in-situ at 10 K with 30 keV Cr + , Mo + , or W + ions to a total dose of (2 to 10) x 10 12 ion cm -2 and examined by the pulse field-evaporation technique at 10 K. The experimental conditions were such that each depleted zone was created by a single incident-ion. The number of vacant lattice sites within a depleted zone was compared with a modified Kinchin--Pease model. The radial distribution function was determined for each depleted zone; it was found that the vacant lattice sites within the volume of each depleted zone tended to exist in a highly clustered state. It was found that the diameter D of each depleted zone was described by the equation D approximately equal to [y 2 ]/sup 1 / 2 / where [y 2 ]/sup 1 / 2 / is the second moment of the theoretical distribution curve, of the fraction of incident ion energy deposited in atom motion, transverse to the direction of the incident ion-beam. The spatial distribution of self-interstitial atoms (SIAs) in a specimen irradiated with 30 keV Cr + ions and in a specimen irradiated with 18 keV Au + ions, at 10 K, was determined. A low bound to the average range of replacement collision sequences (RCSs) was found to be 175 +- 85 A. A detailed FIM study was also made of the vacancy structure of a (220) platelet created by a single 30 keV W + ion in a platinum-4.0 at. % gold alloy; the specimen was irradiated at 40 K and then isochronally warmed to 100 K. The (220) platelet was found to consist of 31 vacant lattice sites, lying in four (220) planes, and clustered in a disc-shaped region which is approximately 20 A in diameter. It was suggested that prismatic dislocation loops lying on (220) type planes in ion or fast neutron irradiated platinum can form as a result of the direct collapse of (220) type vacancy platelets

  11. Mechanical Defects of Muscle Fibers with Myosin Light Chain Mutants that Cause Cardiomyopathy

    OpenAIRE

    Roopnarine, Osha

    2003-01-01

    Familial hypertrophic cardiomyopathy is a disease caused by single mutations in several sarcomeric proteins, including the human myosin ventricular regulatory light chain (vRLC). The effects of four of these mutations (A13T, F18L, E22K, and P95A) in vRLC on force generation were determined as a function of Ca2+ concentration. The endogenous RLC was removed from skinned rabbit psoas muscle fibers, and replaced with either rat wildtype vRLC or recombinant rat vRLC (G13T, F18L, E22K, and P95A). ...

  12. Thermal equilibrium concentration of intrinsic point defects in heavily doped silicon crystals - Theoretical study of formation energy and formation entropy in area of influence of dopant atoms-

    Science.gov (United States)

    Kobayashi, K.; Yamaoka, S.; Sueoka, K.; Vanhellemont, J.

    2017-09-01

    It is well known that p-type, neutral and n-type dopants affect the intrinsic point defect (vacancy V and self-interstitial I) behavior in single crystal Si. By the interaction with V and/or I, (1) growing Si crystals become more V- or I-rich, (2) oxygen precipitation is enhanced or retarded, and (3) dopant diffusion is enhanced or retarded, depending on the type and concentration of dopant atoms. Since these interactions affect a wide range of Si properties ranging from as-grown crystal quality to LSI performance, numerical simulations are used to predict and to control the behavior of both dopant atoms and intrinsic point defects. In most cases, the thermal equilibrium concentrations of dopant-point defect pairs are evaluated using the mass action law by taking only the binding energy of closest pair to each other into account. The impacts of dopant atoms on the formation of V and I more distant than 1st neighbor and on the change of formation entropy are usually neglected. In this study, we have evaluated the thermal equilibrium concentrations of intrinsic point defects in heavily doped Si crystals. Density functional theory (DFT) calculations were performed to obtain the formation energy (Ef) of the uncharged V and I at all sites in a 64-atom supercell around a substitutional p-type (B, Ga, In, and Tl), neutral (C, Ge, and Sn) and n-type (P, As, and Sb) dopant atom. The formation (vibration) entropies (Sf) of free I, V and I, V at 1st neighboring site from B, C, Sn, P and As atoms were also calculated with the linear response method. The dependences of the thermal equilibrium concentrations of trapped and total intrinsic point defects (sum of free I or V and I or V trapped with dopant atoms) on the concentrations of B, C, Sn, P and As in Si were obtained. Furthermore, the present evaluations well explain the experimental results of the so-called ;Voronkov criterion; in B and C doped Si, and also the observed dopant dependent void sizes in P and As doped Si

  13. Gamma-rays and heat-treatment conversions of point defects in massive rose quartz from the Borborema Pegmatite Province, Northeast Brazil

    Science.gov (United States)

    Guzzo, Pedro L.; Barreto, Sandra B.; Miranda, Milena R.; Gonzaga, Raysa S. G.; Casals, Sandra A.

    2017-11-01

    An extensive characterization of trace elements and point defects in rose quartz from the Borborema Pegmatite Province (BPP) in the northeast of Brazil was carried out by complementary spectroscopic methods. The aim here was to document the change in the configuration of point defects into the quartz lattice induced by heat-treatment and ionizing radiation. The samples were extracted from the core of two granitic rare element (REL) pegmatites, Taboa (Carnaúba dos Dantas, RN) and Alto do Feio (Pedra Lavrada, PB). The contents of Al, P, Ti, Ni, Fe, Ge, Li, Be, B and K were measured by laser-ablation inductively coupled plasma mass spectrometry (LA-ICP-MS). Polished plates were heat-treated at 500 and 1000 °C and then irradiated with 50 kGy of γ rays. Point defects were characterized by optical (UV-Vis), infrared (IR), and electron paramagnetic resonance (EPR) spectroscopies. In the as-received condition, [AlO4/H]0 centers, Li- and B-dependent OH defects were observed. Point defects related to Al and Li species were significantly affected by heat-treatment at 1000 °C and/or γ radiation. Paramagnetic centers such as [AlO4]0, [GeO4/Li]0, [TiO4/Li]0 and [O2 3-/Li]0 were created by the diffusion of Li+ ions from their original diamagnetic centers related to substitutional Al3+ and OH-species. The smoky color developed after irradiation and the signal intensities of the paramagnetic centers were independent from the original rose color grade. The samples from the Taboa (TB) pegmatite showed the highest concentration of Al, Ti, Fe and Li elements as well as the highest signal intensities for [AlO4]0, [AlO4/H]0, [GeO4/Li]0 and [TiO4/Li]0 centers. Although TB also showed the higher concentration of B element, the intensity of the 3597 cm-1 IR band related to [BO4/H]0 centers was higher for Alto do Feio (AF) samples. This result suggests that the uptake of B into the quartz core of each pegmatite took place through different mechanisms. It was concluded that the change in

  14. Broadening of white-light continuum by filamentation in BK7 glass at its zero-dispersion point

    International Nuclear Information System (INIS)

    Jiang, Jiaming; Zhong, Yue; Zheng, Yinghui; Zeng, Zhinan; Ge, Xiaochun; Li, Ruxin

    2015-01-01

    Broadening of white-light continuum is observed by filamentation of near-infrared femtosecond laser pulses with peak power exceeding the megawatt level in BK7 glass with the presence of the zero-dispersion point. The simulated results show that, due to the low dispersion at the zero-dispersion point, the broadening of white-light continuum can be wider and the filament can persist in propagating stably longer distance. - Highlights: • We observed the white-light continuum by filamentation at the zero-dispersion point. • Peak power significantly exceeding the critical value of self-focusing was used. • Wider spectral broadening was obtained around the zero-dispersion point

  15. Breakthrough of ultraviolet light from various brands of fluorescent lamps: Lethal effects on DNA repair-defective bacteria

    International Nuclear Information System (INIS)

    Hartman, P.E.; Biggley, W.H.

    1996-01-01

    In a comparative study of 17 pairs of 15 W fluorescent lamps intended for use in homes and purchased in local stores, we detect over 10-fold differences in UVB + UVC emissions between various lamps. This breakthrough of ultraviolet (UV) light is in part correlated with ability of lamps to kill DNA repair-defective recA - uvrB - Salmonella. Relative proficiency of lamps in eliciting photoreactivation of UV-induced DNA lesions also plays a prominent role in the relative rates of bacterial inactivation by emissions from different lamps. Lamps made in Chile, such as Phillips brand lamps and one type of General Electric lamp, produce far less UVB + UVC and fail to kill recA - uvrB - bacteria. In contrast, all tested lamps manufactured in the USA, Hungary, and Japan exhibit readily observed deleterious biological effects. When an E. coli recA - uvrB - phr - (photolyase-negative) triple mutant is used for assay, lethal radiations are detected from all lamps, and single-hit exponential inactivation rates rather closely correlate to amount of directly measured UVB + UVC output of each pair of lamps. Although all lamps tested may meet international and Unite States standards for radiation safely, optimal practices in lamp manufacture are clearly capable of decreasing human exposure to indoor UV light. 38 refs., 3 figs., 1 tab

  16. Strain effects on point defects and chain-oxygen order-disorder transition in 123 cuprate compounds

    International Nuclear Information System (INIS)

    Su Haibin; Welch, David O.; Wong-Ng, Winnie

    2004-01-01

    The energetics of Schottky defects in 123 cuprate superconductor series RBa 2 Cu 3 O 7 (where R=lanthandies) and YA 2 Cu 3 O 7 (A=alkali earths), were found to have unusual relations if one considers only the volumetric strain. Our calculations reveal the effect of nonuniform changes of interatomic distances within the R-123 structures, introduced by doping homovalent elements, on the Schottky defect formation energy. The energy of formation of Frenkel pair defects, which is an elementary disordering event, in 123 compounds can be substantially altered under both stress and chemical doping. Scaling the oxygen-oxygen short-range repulsive parameter using the calculated formation energy of Frenkel pair defects, the transition temperature between orthorhombic and tetragonal phases is computed by quasichemical approximations (QCA's). The theoretical results illustrate the same trend as the experimental measurements in that the larger the ionic radius of R, the lower the orthorhombic/tetragonal phase transition temperature. This study provides strong evidence of the strain effects on order-disorder transition due to oxygens in the CuO chain sites

  17. Study of the point defect creation and of the excitonic luminescence in alkali halides irradiated by swift heavy ions

    International Nuclear Information System (INIS)

    Protin, L.

    1994-01-01

    The aim of this experimental thesis is to study the excitonic mechanisms and of the defect creation, in NaCl and KBr, under dense electronic excitations induced by swift heavy ion irradiations. In the first part, we present the main features of the interaction of swift heavy ions with solid targets, and after we review the well known radiolytic processes of the defect creation during X-ray irradiation. In the second chapter, we describe our experimental set-up. In the chapter III, we present our results of the in-situ optical absorption measurements. This results show that defect creation is less sensitive to the temperature than during a classical irradiation. Besides, we observe new mechanisms concerning the defect aggregation. In the chapter IV, we present the results of excitonic luminescence induced by swift by swift heavy ions. We observe that the luminescence yields only change with the highest electronic stopping power. In the chapter V, we perform thermal spike and luminescence yields calculations and we compare the numerical results to the experiments presented in the chapter IV. (author). 121 refs., 65 figs., 30 tabs

  18. Study of point defects in pure iron by means of electrical resistivity; Etude au moyen de la resistivite electrique des defauts ponctuels dans le fer pur

    Energy Technology Data Exchange (ETDEWEB)

    Minier-Cassayre, C [Commissariat a l' Energie Atomique, Grenoble (France). Centre d' Etudes Nucleaires

    1965-04-01

    In the first part of this work, after having reviewed the production, observation and the annealing of point defects In metals, we resume the present state of research. In the second part, we explain the techniques we have employed to produce point defects at low temperatures: irradiation, quenching and cold-work; and go on to the study of their migration and annealing. The experimental results obtained for pure iron and for iron containing certain impurities are presented in the third part. In the fourth part we suggest a model which explains the different stages of annealing observed, and their properties. We then compare the energies of interaction between point defects with the values deduced from the theory of elasticity. (author) [French] Dans la premiere partie de cette etude, apres avoir passe en revue la production, l'observation et les modes de guerison des defauts ponctuels dans les metaux, nous exposons l'etat actuel des recherches. La seconde partie est consacree aux techniques que nous avons employees pour produire des defauts ponctuels a basse temperature: irradiations, trempe et ecrouissage puis a l'etude de leur migration et de leur guerison. Les resultats experimentaux obtenus dans le fer pur et le fer contenant certaines impuretes sont presentes dans le troisieme chapitre. Nous proposons ensuite un modele qui explique les differents stades de guerison observes et leurs nombreuses proprietes: nous comparons les energies d'interaction entre defauts ponctuels aux valeurs que l'on pourrait deduire d'un modele elastique. (auteur)

  19. Non-invasive three-dimension control of light between turbid layers using a surface quasi-point light source for precorrection.

    Science.gov (United States)

    Qiao, Mu; Liu, Honglin; Pang, Guanghui; Han, Shensheng

    2017-08-29

    Manipulating light non-invasively through inhomogeneous media is an attractive goal in many disciplines. Wavefront shaping and optical phase conjugation can focus light to a point. Transmission matrix method can control light on multiple output modes simultaneously. Here we report a non-invasive approach which enables three-dimension (3D) light control between two turbid layers. A digital optical phase conjugation mirror measured and conjugated the diffused wavefront, which originated from a quasi-point source on the front turbid layer and passed through the back turbid layer. And then, because of memory effect, the phase-conjugated wavefront could be used as a carrier wave to transport a pre-calculated wavefront through the back turbid layer. The pre-calculated wavefront could project a desired 3D light field inside the sample, which, in our experiments, consisted of two 220-grid ground glass plates spaced by a 20 mm distance. The controllable range of light, according to the memory effect, was calculated to be 80 mrad in solid angle and 16 mm on z-axis. Due to the 3D light control ability, our approach may find applications in photodynamic therapy and optogenetics. Besides, our approach can also be combined with ghost imaging or compressed sensing to achieve 3D imaging between turbid layers.

  20. OH-point defects in quartz in B- and Li-bearing systems and their application to pegmatites

    Science.gov (United States)

    Baron, M. A.; Stalder, R.; Konzett, J.; Hauzenberger, C. A.

    2015-01-01

    OH incorporation in quartz in Al-, B- and Li-bearing systems (granitic systems containing tourmaline or spodumene) was studied experimentally in order to investigate the effect of pressure, temperature and chemical impurities on the generation of OH-defects. High-pressure experiments were carried out at pressures between 5 and 25 kbar and temperatures between 800 and 900 °C, and OH-contents in quartz were calculated from IR absorption spectra measured on oriented quartz crystals. IR absorption features were assigned to impurity substitutions, such as AlOH (3,420, 3,379 and 3,315 cm-1) and BOH (3,595 cm-1), LiOH (3,483 cm-1), and hydrogarnet substitution (4H)Si defects (3,583 cm-1). Results indicate a negative correlation of incorporated Al-specific OH-defect content versus pressure (630 ± 130 wt ppm H2O at 5 kbar to 102 ± 6 wt ppm H2O at 25 kbar), but no clear correlation of B-specific OH-defects with pressure. In runs initially containing spodumene, virtually OH-free quartzes were observed at pressures ≥10 kbar, where impurity cations compensate each other forming an anhydrous eucryptite-defect component. In contrast, at 5 kbar, both Li- ad Al-specific OH-defects are observed (corresponding to 470 ± 75 wt ppm H2O). Results from this study may therefore be used to monitor formation conditions of quartz in terms of pressure and trace metal saturation of the crystallizing petrological system. IR spectra obtained from natural quartz grains from a tourmaline-bearing pegmatite exhibit B- and Al-related OH-bands. The B-related OH-band is also exhibited in quartz from a tourmaline + spodumene-bearing pegmatite. Li- and Al-related OH-bands, however, are subordinate or not observed at all in the spodumene-bearing system, which suggests that OH-vibrations do not reflect absolute Li-contents in quartz due to efficient coupled substitution involving Al. Data from experimental runs and natural specimens indicate that the B-related OH-band can be used as a rough proxy for

  1. Cathodoluminescence studies of anomalous ion implantation defect introduction in lightly and heavily doped liquid phase epitaxial GaAs:Sn

    International Nuclear Information System (INIS)

    Norris, C.B.; Barnes, C.E.

    1980-01-01

    The anomalous postrange defect introduction produced by shallow ion implantation in GaAs has been investigated in Sn-doped liquid phase epitaxial (LPE) material using depth-resolved cathodoluminescence in conjunction with layer removal by chemical etching. 100-keV Ne + or 200-keV Zn + ions were implanted into lightly or heavily Sn-doped LPE layers at temperatures between 80 and 300 K. All implantations were subsequently annealed at 300 K. Although the projected ion ranges for the implants were on the order of 1000 A, significant postrange damage was observed at far greater depths. At depths up to several microns, the damage introduction produced severe nonradiative recombination but simultaneously caused an apparent increase in the concentration of incumbent luminescence centers responsible for an extrinsic band near 1.39 eV. A weak damage-related band near 1.2 eV could also be seen in one instance. At depths of 5--30 μm, the postrange damage had the opposite effect of annihilating incumbent 1.39-eV luminescence centers. The efficiency of the damage introduction has a complicated temperature dependence which is significantly different for the ion/substrate combinations investigated. However, no conditions were found for which the damage introduction could be inhibited. While our measurements are the most extensive to date concerning the anomalous ion implant damage introduction in GaAs, the detailed mechanisms responsible for this effect still remain obscure owing in part to the limited understanding of defects in GaAs

  2. Study of the point defects formed in cobalt by electron bombardment; Etude des defauts ponctuels crees par bombardement electronique dans le cobalt

    Energy Technology Data Exchange (ETDEWEB)

    Sulpice, G [Commissariat a l' Energie Atomique, 38 - Grenoble (France). Centre d' Etudes Nucleaires

    1968-12-01

    A study of the point defects formed in cobalt by electron bombardment is presented. The results are compared with those previously obtained for two other ferromagnetic metals of different structure, iron and nickel. In the first part we give a review of the literature concerning the creation of point defects, their contribution to resistivity and their annihilation mode in the three structure types. We then describe the experimental techniques adapted, in particular the study of the resistivity increase during a linear temperature rise. Our investigations concern the following, essential points : the observation of the successive annihilation stages of the point defects formed in pure cobalt, a study of the variations with respect to the doses and energy of the incident particles, and the determination of the annealing kinetics and the corresponding activation energies. The results are finally compared with the various models of point defect annihilation proposed for other metals: none of these interpretations is in perfect agreement with our results. In the case of cobalt we are thus led to modify the model proposed by our laboratory for iron an nickel. The difference between these three metals is explained by the anisotropic character of the cobalt matrix. (author) [French] Nous presentons une etude des defauts ponctuels crees par bombardement electronique dans le cobalt et comparons nos resultats a ceux obtenus precedemment dans deux autres metaux ferromagnetiques de structure differente, le fer et le nickel. Dans une premiere partie nous faisons une mise au point bibliographique comparee sur la creation des defauts, leur contribution a la resistivite et leur mode d'annihilation dans les trois types de structure. Nous decrivons ensuite les techniques experimentales mises au point, en particulier l'etude du revenu de la resistivite au cours d'une montee lineaire de temperature. Au cours de ce travail, nous avons mis en evidence les stades successifs d

  3. Visual tuning and metrical perception of realistic point-light dance movements

    Science.gov (United States)

    Su, Yi-Huang

    2016-01-01

    Humans move to music spontaneously, and this sensorimotor coupling underlies musical rhythm perception. The present research proposed that, based on common action representation, different metrical levels as in auditory rhythms could emerge visually when observing structured dance movements. Participants watched a point-light figure performing basic steps of Swing dance cyclically in different tempi, whereby the trunk bounced vertically at every beat and the limbs moved laterally at every second beat, yielding two possible metrical periodicities. In Experiment 1, participants freely identified a tempo of the movement and tapped along. While some observers only tuned to the bounce and some only to the limbs, the majority tuned to one level or the other depending on the movement tempo, which was also associated with individuals’ preferred tempo. In Experiment 2, participants reproduced the tempo of leg movements by four regular taps, and showed a slower perceived leg tempo with than without the trunk bouncing simultaneously in the stimuli. This mirrors previous findings of an auditory ‘subdivision effect’, suggesting the leg movements were perceived as beat while the bounce as subdivisions. Together these results support visual metrical perception of dance movements, which may employ similar action-based mechanisms to those underpinning auditory rhythm perception. PMID:26947252

  4. Visual tuning and metrical perception of realistic point-light dance movements.

    Science.gov (United States)

    Su, Yi-Huang

    2016-03-07

    Humans move to music spontaneously, and this sensorimotor coupling underlies musical rhythm perception. The present research proposed that, based on common action representation, different metrical levels as in auditory rhythms could emerge visually when observing structured dance movements. Participants watched a point-light figure performing basic steps of Swing dance cyclically in different tempi, whereby the trunk bounced vertically at every beat and the limbs moved laterally at every second beat, yielding two possible metrical periodicities. In Experiment 1, participants freely identified a tempo of the movement and tapped along. While some observers only tuned to the bounce and some only to the limbs, the majority tuned to one level or the other depending on the movement tempo, which was also associated with individuals' preferred tempo. In Experiment 2, participants reproduced the tempo of leg movements by four regular taps, and showed a slower perceived leg tempo with than without the trunk bouncing simultaneously in the stimuli. This mirrors previous findings of an auditory 'subdivision effect', suggesting the leg movements were perceived as beat while the bounce as subdivisions. Together these results support visual metrical perception of dance movements, which may employ similar action-based mechanisms to those underpinning auditory rhythm perception.

  5. The study of membrane formation via phase inversion method by cloud point and light scattering experiment

    Science.gov (United States)

    Arahman, Nasrul; Maimun, Teuku; Mukramah, Syawaliah

    2017-01-01

    The composition of polymer solution and the methods of membrane preparation determine the solidification process of membrane. The formation of membrane structure prepared via non-solvent induced phase separation (NIPS) method is mostly determined by phase separation process between polymer, solvent, and non-solvent. This paper discusses the phase separation process of polymer solution containing Polyethersulfone (PES), N-methylpirrolidone (NMP), and surfactant Tetronic 1307 (Tet). Cloud point experiment is conducted to determine the amount of non-solvent needed on induced phase separation. Amount of water required as a non-solvent decreases by the addition of surfactant Tet. Kinetics of phase separation for such system is studied by the light scattering measurement. With the addition of Tet., the delayed phase separation is observed and the structure growth rate decreases. Moreover, the morphology of fabricated membrane from those polymer systems is analyzed by scanning electron microscopy (SEM). The images of both systems show the formation of finger-like macrovoids through the cross-section.

  6. X-ray and optical study on point defect formation and interaction under irradiation adn doping of KCl

    Energy Technology Data Exchange (ETDEWEB)

    Braude, I S; Rogozyanskaya, L M [AN Ukrainskoj SSR, Kharkov. Fiziko-Tekhnicheskij Inst. Nizkikh Temperatur

    1978-08-01

    Optical and X-ray diffuse scattering methods have been applied to investigate structural changes, taking place in KCl crystals during irradiation with ..gamma..-quanta and doping with barium. It is shown that ..gamma..-irradiation of ''pure'' and doped KCl crystals mainly leads to formation of F-centers and spherical vacancy complexes. F-center concentration in irradiated addition crystals (3x10/sup -6/) has turned out to be 25% lower, than in irradiated pure ones (4x10/sup -6/), which is connected with interaction of radiation and addition defects. The type of defects, causing assymetry in the distribution of diffuse scattering has been determined. Appearance of scattering ability modulation over direction < 100 > during irradiation of KCl pure crystals has been found. Critical radius of spherical complexes formed during irradiation has been estimated, it appeared to be 2.5 a, where a is a lattice period.

  7. The impact of trench defects in InGaN/GaN light emitting diodes and implications for the “green gap” problem

    Energy Technology Data Exchange (ETDEWEB)

    Massabuau, F. C.-P., E-mail: fm350@cam.ac.uk; Oehler, F.; Pamenter, S. K.; Thrush, E. J.; Kappers, M. J.; Humphreys, C. J.; Oliver, R. A. [Department of Materials Science and Metallurgy, University of Cambridge, 22 Charles Babbage Road, Cambridge CB3 0FS (United Kingdom); Davies, M. J.; Dawson, P. [Photon Science Institute, School of Physics and Astronomy, Alan Turing Building, University of Manchester, Manchester M13 9PL (United Kingdom); Kovács, A.; Dunin-Borkowski, R. E. [Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons, Forschungszentrum Jülich GmbH, Leo-Brandt- Straße, D-52425 Jülich (Germany); Williams, T.; Etheridge, J. [Monash Centre for Electron Microscopy, Monash University, Clayton Campus, VIC 3800 (Australia); Hopkins, M. A.; Allsopp, D. W. E. [Department of Electronic and Electrical Engineering, University of Bath, Bath BA2 7AY (United Kingdom)

    2014-09-15

    The impact of trench defects in blue InGaN/GaN light emitting diodes (LEDs) has been investigated. Two mechanisms responsible for the structural degradation of the multiple quantum well (MQW) active region were identified. It was found that during the growth of the p-type GaN capping layer, loss of part of the active region enclosed within a trench defect occurred, affecting the top-most QWs in the MQW stack. Indium platelets and voids were also found to form preferentially at the bottom of the MQW stack. The presence of high densities of trench defects in the LEDs was found to relate to a significant reduction in photoluminescence and electroluminescence emission efficiency, for a range of excitation power densities and drive currents. This reduction in emission efficiency was attributed to an increase in the density of non-radiative recombination centres within the MQW stack, believed to be associated with the stacking mismatch boundaries which form part of the sub-surface structure of the trench defects. Investigation of the surface of green-emitting QW structures found a two decade increase in the density of trench defects, compared to its blue-emitting counterpart, suggesting that the efficiency of green-emitting LEDs may be strongly affected by the presence of these defects. Our results are therefore consistent with a model that the “green gap” problem might relate to localized strain relaxation occurring through defects.

  8. The impact of trench defects in InGaN/GaN light emitting diodes and implications for the “green gap” problem

    International Nuclear Information System (INIS)

    Massabuau, F. C.-P.; Oehler, F.; Pamenter, S. K.; Thrush, E. J.; Kappers, M. J.; Humphreys, C. J.; Oliver, R. A.; Davies, M. J.; Dawson, P.; Kovács, A.; Dunin-Borkowski, R. E.; Williams, T.; Etheridge, J.; Hopkins, M. A.; Allsopp, D. W. E.

    2014-01-01

    The impact of trench defects in blue InGaN/GaN light emitting diodes (LEDs) has been investigated. Two mechanisms responsible for the structural degradation of the multiple quantum well (MQW) active region were identified. It was found that during the growth of the p-type GaN capping layer, loss of part of the active region enclosed within a trench defect occurred, affecting the top-most QWs in the MQW stack. Indium platelets and voids were also found to form preferentially at the bottom of the MQW stack. The presence of high densities of trench defects in the LEDs was found to relate to a significant reduction in photoluminescence and electroluminescence emission efficiency, for a range of excitation power densities and drive currents. This reduction in emission efficiency was attributed to an increase in the density of non-radiative recombination centres within the MQW stack, believed to be associated with the stacking mismatch boundaries which form part of the sub-surface structure of the trench defects. Investigation of the surface of green-emitting QW structures found a two decade increase in the density of trench defects, compared to its blue-emitting counterpart, suggesting that the efficiency of green-emitting LEDs may be strongly affected by the presence of these defects. Our results are therefore consistent with a model that the “green gap” problem might relate to localized strain relaxation occurring through defects.

  9. Properties of point defects either native or induced by irradiation in the 3C and 6H polytypes of silicon carbide determined by positron annihilation and EPR

    International Nuclear Information System (INIS)

    Kerbiriou, X.

    2006-02-01

    Potential applications of silicon carbide (SiC) in micro-electronics have justified many studies on point defects, which play an important role in the electrical compensation. Moreover, this material has many assets to take part in the fissile materials confining in the gas cooled reactors of the future (4. generation). In this thesis, we have used Electronic Paramagnetic Resonance and Positron Annihilation Spectroscopy to study the properties of point defects (nature, size, charge state, migration and agglomeration during annealing), either native or induced by irradiation with various particles (H + , e - , carbon ions), in the 3C and 6H polytypes of SiC. The positron annihilation study of native defects in 6H-SiC has shown the presence of a strong concentration of non-vacancy traps of acceptor type, which are not present in the 3C-SiC crystals. The nature of the defects detected after irradiation with low energy electrons (190 keV) depends on the polytype. Indeed, while silicon Frenkel pairs and carbon mono-vacancies are detected in the 6H crystals, only carbon mono-vacancies are detected in the 3C crystals. We propose that these differences concerning the populations of detected point defects result from different values of the silicon displacement threshold energy for the two polytypes (approximately 20 eV for 6H and 25 V for 3C). In addition, the irradiations with 12 MeV protons and 132 MeV carbon ions have created silicon mono-vacancies as well as VSi-VC di-vacancies. Neither the particle (protons or ions carbon), nor the polytype (3C or 6H) influence the nature of the generated defects. Finally the study of the annealing of 6H-SiC monocrystals irradiated with 12 MeV protons have revealed several successive processes. The most original result is the agglomeration of the silicon mono-vacancies with the VSi-VC di-vacancies which leads to the formation of VSi-VC-VSi tri-vacancies. (author)

  10. Effect of ion velocity on creation of point defects halos of latent tracks in LiF

    Czech Academy of Sciences Publication Activity Database

    Volkov, A.E.; Schwartz, K.; Medvedev, Nikita; Trautmann, C.

    2017-01-01

    Roč. 407, Sep (2017), s. 80-85 ISSN 0168-583X R&D Projects: GA MŠk LG15013; GA MŠk(CZ) LM2015083 Institutional support: RVO:68378271 Keywords : swift heavy ion * electronic stopping * track * LiF * color centers * defect halo Subject RIV: BL - Plasma and Gas Discharge Physics OBOR OECD: Fluids and plasma physics (including surface physics) Impact factor: 1.109, year: 2016

  11. The critical role of point defects in improving the specific capacitance of δ-MnO2 nanosheets

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Peng; Metz, Peter; Hey, Trevyn; Gong, Yuxuan; Liu, Dawei; Edwards, Doreen D.; Howe, Jane Y.; Huang, Rong; Misture, Scott T.

    2017-02-23

    3D porous nanostructures built from 2D δ-MnO2 nanosheets are an environmentally friendly and industrially scalable class of supercapacitor electrode material. While both the electrochemistry and defects of this material have been studied, the role of defects in improving the energy storage density of these materials has not been addressed. In this work, δ-MnO2 nanosheet assemblies with 150 m2 g-1 specific surface area are prepared by exfoliation of crystalline KxMnO2 and subsequent reassembly. Equilibration at different pH introduces intentional Mn vacancies into the nanosheets, increasing pseudocapacitance to over 300 F g-1, reducing charge transfer resistance as low as 3 Ω, and providing a 50% improvement in cycling stability. X-ray absorption spectroscopy and high-energy X-ray scattering demonstrate a correlation between the defect content and the improved electrochemical performance. The results show that Mn vacancies provide ion intercalation sites which concurrently improve specific capacitance, charge transfer resistance and cycling stability.

  12. Point-of-use water disinfection using ultraviolet and visible light-emitting diodes

    Energy Technology Data Exchange (ETDEWEB)

    Lui, Gough Yumu, E-mail: gough@student.unsw.edu.au [UNSW Water Research Centre, School of Civil and Environmental Engineering, University of New South Wales, Sydney, NSW 2052 (Australia); School of Photovoltaics and Renewable Energy Engineering, University of New South Wales, Sydney, NSW 2052 (Australia); Roser, David, E-mail: djroser@unsw.edu.au [UNSW Water Research Centre, School of Civil and Environmental Engineering, University of New South Wales, Sydney, NSW 2052 (Australia); Corkish, Richard, E-mail: r.corkish@unsw.edu.au [School of Photovoltaics and Renewable Energy Engineering, University of New South Wales, Sydney, NSW 2052 (Australia); Ashbolt, Nicholas J., E-mail: ashbolt@ualberta.ca [UNSW Water Research Centre, School of Civil and Environmental Engineering, University of New South Wales, Sydney, NSW 2052 (Australia); School of Public Health, South Academic Building, University of Alberta, Edmonton, Alberta T6G 2G7 (Canada); Stuetz, Richard, E-mail: r.stuetz@unsw.edu.au [UNSW Water Research Centre, School of Civil and Environmental Engineering, University of New South Wales, Sydney, NSW 2052 (Australia)

    2016-05-15

    Improvements in point-of-use (POU) drinking water disinfection technologies for remote and regional communities are urgently needed. Conceptually, UV-C light-emitting diodes (LEDs) overcome many drawbacks of low-pressure mercury tube based UV devices, and UV-A or visible light LEDs also show potential. To realistically evaluate the promise of LED disinfection, our study assessed the performance of a model 1.3 L reactor, similar in size to solar disinfection bottles. In all, 12 different commercial or semi-commercial LED arrays (270–740 nm) were compared for their ability to inactivate Escherichia coli K12 ATCC W3110 and Enterococcus faecalis ATCC 19433 over 6 h. Five log{sub 10} and greater reductions were consistently achieved using the 270, 365, 385 and 405 nm arrays. The output of the 310 nm array was insufficient for useful disinfection while 430 and 455 nm performance was marginal (≈ 4.2 and 2.3-log{sub 10}s E. coli and E. faecalis over the 6 h). No significant disinfection was observed with the 525, 590, 623, 660 and 740 nm arrays. Delays in log-phase inactivation of E. coli were observed, particularly with UV-A wavelengths. The radiation doses required for > 3-log{sub 10} reduction of E. coli and E. faecalis differed by 10 fold at 270 nm but only 1.5–2.5 fold at 365–455 nm. Action spectra, consistent with the literature, were observed with both indicators. The design process revealed cost and technical constraints pertaining to LED electrical efficiency, availability and lifetime. We concluded that POU LED disinfection using existing LED technology is already technically possible. UV-C LEDs offer speed and energy demand advantages, while UV-A/violet units are safer. Both approaches still require further costing and engineering development. Our study provides data needed for such work. - Highlights: • Disinfection of E. coli and E. faecalis achieved with 270 and 365–455 nm LEDs • No significant disinfection was found with 310 and > 455 nm LEDs

  13. Point-of-use water disinfection using ultraviolet and visible light-emitting diodes

    International Nuclear Information System (INIS)

    Lui, Gough Yumu; Roser, David; Corkish, Richard; Ashbolt, Nicholas J.; Stuetz, Richard

    2016-01-01

    Improvements in point-of-use (POU) drinking water disinfection technologies for remote and regional communities are urgently needed. Conceptually, UV-C light-emitting diodes (LEDs) overcome many drawbacks of low-pressure mercury tube based UV devices, and UV-A or visible light LEDs also show potential. To realistically evaluate the promise of LED disinfection, our study assessed the performance of a model 1.3 L reactor, similar in size to solar disinfection bottles. In all, 12 different commercial or semi-commercial LED arrays (270–740 nm) were compared for their ability to inactivate Escherichia coli K12 ATCC W3110 and Enterococcus faecalis ATCC 19433 over 6 h. Five log_1_0 and greater reductions were consistently achieved using the 270, 365, 385 and 405 nm arrays. The output of the 310 nm array was insufficient for useful disinfection while 430 and 455 nm performance was marginal (≈ 4.2 and 2.3-log_1_0s E. coli and E. faecalis over the 6 h). No significant disinfection was observed with the 525, 590, 623, 660 and 740 nm arrays. Delays in log-phase inactivation of E. coli were observed, particularly with UV-A wavelengths. The radiation doses required for > 3-log_1_0 reduction of E. coli and E. faecalis differed by 10 fold at 270 nm but only 1.5–2.5 fold at 365–455 nm. Action spectra, consistent with the literature, were observed with both indicators. The design process revealed cost and technical constraints pertaining to LED electrical efficiency, availability and lifetime. We concluded that POU LED disinfection using existing LED technology is already technically possible. UV-C LEDs offer speed and energy demand advantages, while UV-A/violet units are safer. Both approaches still require further costing and engineering development. Our study provides data needed for such work. - Highlights: • Disinfection of E. coli and E. faecalis achieved with 270 and 365–455 nm LEDs • No significant disinfection was found with 310 and > 455 nm LEDs. • UV

  14. Analysed a defective of the machine for a cap-tube nuclear fuel element ME-27 from its electricity point of view

    International Nuclear Information System (INIS)

    Achmad Suntoro

    2009-01-01

    It has been analysed a defective of the machine for a cap-tube nuclear fuel element ME-27 from its electricity point of view. The machine uses magnetic force resistance welding technique. A short circuit was happened within the machine because the nut for tightening high voltage cable for welding transformer was broken so that the cable touched the machine body and produced the short circuit. This condition made both the primary circuit breaker in the building down and produced high voltage pulse induction to the electronic circuit within the machine so that one of its electronic components was defective. This case becomes warnings on how important of tightening a nut according to its strength specification (using wrench torque) and the necessity of voltage transient limitation circuit to be installed. Both of the warnings are necessary for any equipment consuming high electric current oriented such as the ME-27 machine. (author)

  15. Point defects in the 1 T' and 2 H phases of single-layer MoS2: A comparative first-principles study

    Science.gov (United States)

    Pizzochero, Michele; Yazyev, Oleg V.

    2017-12-01

    The metastable 1 T' phase of layered transition metal dichalcogenides has recently attracted considerable interest due to electronic properties, possible topological phases, and catalytic activity. We report a comprehensive theoretical investigation of intrinsic point defects in the 1 T' crystalline phase of single-layer molybdenum disulfide (1 T'-MoS2 ) and provide comparison to the well-studied semiconducting 2 H phase. Based on density functional theory calculations, we explore a large number of configurations of vacancy, adatom, and antisite defects and analyze their atomic structure, thermodynamic stability, and electronic and magnetic properties. The emerging picture suggests that, under thermodynamic equilibrium, 1 T'-MoS2 is more prone to hosting lattice imperfections than the 2 H phase. More specifically, our findings reveal that the S atoms that are closer to the Mo atomic plane are the most reactive sites. Similarly to the 2 H phase, S vacancies and adatoms in 1 T'-MoS2 are very likely to occur while Mo adatoms and antisites induce local magnetic moments. Contrary to the 2 H phase, Mo vacancies in 1 T'-MoS2 are expected to be an abundant defect due to the structural relaxation that plays a major role in lowering the defect formation energy. Overall, our study predicts that the realization of high-quality flakes of 1 T'-MoS2 should be carried out under very careful laboratory conditions but at the same time the facile defects introduction can be exploited to tailor physical and chemical properties of this polymorph.

  16. A study on density functional theory of the effect of pressure on the formation and migration enthalpies of intrinsic point defects in growing single crystal Si

    Science.gov (United States)

    Sueoka, Koji; Kamiyama, Eiji; Kariyazaki, Hiroaki

    2012-05-01

    In 1982, Voronkov presented a model describing point defect behavior during the growth of single crystal Si from a melt and derived an expression to predict if the crystal was vacancy- or self-interstitial-rich. Recently, Vanhellemont claimed that one should take into account the impact of compressive stress introduced by the thermal gradient at the melt/solid interface by considering the hydrostatic pressure dependence of the formation enthalpy of the intrinsic point defects. To evaluate the impact of thermal stress more correctly, the pressure dependence of both the formation enthalpy (Hf) and the migration enthalpy (Hm) of the intrinsic point defects should be taken into account. Furthermore, growing single crystal Si is not under hydrostatic pressure but almost free of external pressure (generally in Ar gas under reduced pressure). In the present paper, the dependence of Hf and Hm on the pressure P, or in other words, the pressure dependence of the formation energy (Ef) and the relaxation volume (vf), is quantified by density functional theory calculations. Although a large number of ab initio calculations of the properties of intrinsic point defects have been published during the last years, calculations for Si crystals under pressure are rather scarce. For vacancies V, the reported pressure dependences of HfV are inconsistent. In the present study, by using 216-atom supercells with a sufficient cut-off energy and mesh of k-points, the neutral I and V are found to have nearly constant formation energies EfI and EfV for pressures up to 1 GPa. For the relaxation volume, vfI is almost constant while vfV decreases linearly with increasing pressure P. In case of the hydrostatic pressure Ph, the calculated formation enthalpy HfI and migration enthalpy HmI at the [110] dumbbell site are given by HfI = 3.425 - 0.057 × Ph (eV) and HmI = 0.981 - 0.039 × Ph (eV), respectively, with Ph given in GPa. The calculated HfV and HmV dependencies on Ph given by HfV = 3.543 - 0

  17. Formation of radiation-induced point defects in silicon doped thin films upon ion implantation and activating annealing

    International Nuclear Information System (INIS)

    Bublik, V.T.; Shcherbachev, K.D.; Komarnitskaya, E.A.; Parkhomenko, Yu.N.; Vygovskaya, E.A.; Evgen'ev, S.B.

    1999-01-01

    The formation and relaxation processes for radiation-induced defects in the implantation of 50 keV Si + ions into gallium arsenide and subsequent 10-min annealing in arsine at 850 deg. C have been studied by the triple-crystal X-ray diffractometry and secondary-ion mass spectroscopy techniques. It is shown that the existence of the vacancy-enriched layer stimulating diffusion of introduced dopants into the substrate surface can significantly affect the distribution profile of the dopant in the course of preparation of thin implanted layers

  18. Sensorimotor synchronization with different metrical levels of point-light dance movements

    Directory of Open Access Journals (Sweden)

    Yi-Huang eSu

    2016-04-01

    Full Text Available Rhythm perception and synchronization have been extensively investigated in the auditory domain, as they underlie means of human communication such as music and speech. Although recent studies suggest comparable mechanisms for synchronizing with periodically moving visual objects, the extent to which it applies to ecologically relevant information, such as the rhythm of complex biological motion, remains unknown. The present study addressed this issue by linking rhythm of music and dance in the framework of action-perception coupling. As a previous study showed that observers perceived multiple metrical periodicities in dance movements that embodied this structure, the present study examined whether sensorimotor synchronization (SMS to dance movements resembles what is known of auditory SMS. Participants watched a point-light figure performing two basic steps of Swing dance cyclically, in which the trunk bounced at every beat and the limbs moved at every second beat, forming two metrical periodicities. Participants tapped synchronously to the bounce of the trunk with or without the limbs moving in the stimuli (Experiment 1, or tapped synchronously to the leg movements with or without the trunk bouncing simultaneously (Experiment 2. Results showed that, while synchronization with the bounce (lower-level pulse was not influenced by the presence or absence of limb movements (metrical accent, synchronization with the legs (beat was improved by the presence of the bounce (metrical subdivision across different movement types. The latter finding parallels the subdivision benefit often demonstrated in auditory tasks, suggesting common sensorimotor mechanisms for visual rhythms in dance and auditory rhythms in music.

  19. Sensorimotor Synchronization with Different Metrical Levels of Point-Light Dance Movements

    Science.gov (United States)

    Su, Yi-Huang

    2016-01-01

    Rhythm perception and synchronization have been extensively investigated in the auditory domain, as they underlie means of human communication such as music and speech. Although recent studies suggest comparable mechanisms for synchronizing with periodically moving visual objects, the extent to which it applies to ecologically relevant information, such as the rhythm of complex biological motion, remains unknown. The present study addressed this issue by linking rhythm of music and dance in the framework of action-perception coupling. As a previous study showed that observers perceived multiple metrical periodicities in dance movements that embodied this structure, the present study examined whether sensorimotor synchronization (SMS) to dance movements resembles what is known of auditory SMS. Participants watched a point-light figure performing two basic steps of Swing dance cyclically, in which the trunk bounced at every beat and the limbs moved at every second beat, forming two metrical periodicities. Participants tapped synchronously to the bounce of the trunk with or without the limbs moving in the stimuli (Experiment 1), or tapped synchronously to the leg movements with or without the trunk bouncing simultaneously (Experiment 2). Results showed that, while synchronization with the bounce (lower-level pulse) was not influenced by the presence or absence of limb movements (metrical accent), synchronization with the legs (beat) was improved by the presence of the bounce (metrical subdivision) across different movement types. The latter finding parallels the “subdivision benefit” often demonstrated in auditory tasks, suggesting common sensorimotor mechanisms for visual rhythms in dance and auditory rhythms in music. PMID:27199709

  20. Study on the performance of infrared thermal imaging light source for detection of impact defects in CFRP composite sandwich panels

    Energy Technology Data Exchange (ETDEWEB)

    Park, Hee Sang [R and D, Korea Research Institute of Smart Material and Structures System Association, Daejeon (Korea, Republic of); Choi, Man Yong; Kwon, Koo Ahn; Park, Jeong Hak; Choi, Won Jae [Safety measurement center, Korea research Institute of Standards and Science, Daejeon (Korea, Republic of); Jung, Hyun Chul [Dept. of Mechanical Engineering Chosun University, Gwangju (Korea, Republic of)

    2017-04-15

    Recently, composite materials have been mainly used in the main wings, ailerons, and fuselages of aircraft and rotor blades of helicopters. Composite materials used in rapid moving structures are subject to impact by hail, lightning, and bird strike. Such an impact can destroy fiber tissues in the composite materials as well as deform the composite materials, resulting in various problems such as weakened rigidity of the composite structure and penetration of water into tiny cracks. In this study, experiments were conducted using a 2 kW halogen lamp which is most frequently used as a light source, a 2 kW near-infrared lamp, which is used for heating to a high temperature, and a 6 kW xenon flash lamp which emits a large amount of energy for a moment. CFRP composite sandwich panels using Nomex honeycomb core were used as the specimens. Experiments were carried out under impact damages of 1, 4 and 8 J. It was found that the detection of defects was fast when the xenon flash lamp was used. The detection of damaged regions was excellent when the halogen lamp was used. Furthermore, the near-infrared lamp is an effective technology for showing the surface of a test object.

  1. Study on the performance of infrared thermal imaging light source for detection of impact defects in CFRP composite sandwich panels

    International Nuclear Information System (INIS)

    Park, Hee Sang; Choi, Man Yong; Kwon, Koo Ahn; Park, Jeong Hak; Choi, Won Jae; Jung, Hyun Chul

    2017-01-01

    Recently, composite materials have been mainly used in the main wings, ailerons, and fuselages of aircraft and rotor blades of helicopters. Composite materials used in rapid moving structures are subject to impact by hail, lightning, and bird strike. Such an impact can destroy fiber tissues in the composite materials as well as deform the composite materials, resulting in various problems such as weakened rigidity of the composite structure and penetration of water into tiny cracks. In this study, experiments were conducted using a 2 kW halogen lamp which is most frequently used as a light source, a 2 kW near-infrared lamp, which is used for heating to a high temperature, and a 6 kW xenon flash lamp which emits a large amount of energy for a moment. CFRP composite sandwich panels using Nomex honeycomb core were used as the specimens. Experiments were carried out under impact damages of 1, 4 and 8 J. It was found that the detection of defects was fast when the xenon flash lamp was used. The detection of damaged regions was excellent when the halogen lamp was used. Furthermore, the near-infrared lamp is an effective technology for showing the surface of a test object

  2. Investigation of 3C-SiC/SiO2 interfacial point defects from ab initio g-tensor calculations and electron paramagnetic resonance measurements

    Science.gov (United States)

    Nugraha, T. A.; Rohrmueller, M.; Gerstmann, U.; Greulich-Weber, S.; Stellhorn, A.; Cantin, J. L.; von Bardeleben, J.; Schmidt, W. G.; Wippermann, S.

    SiC is widely used in high-power, high-frequency electronic devices. Recently, it has also been employed as a building block in nanocomposites used as light absorbers in solar energy conversion devices. Analogous to Si, SiC features SiO2 as native oxide that can be used for passivation and insulating layers. However, a significant number of defect states are reported to form at SiC/SiO2 interfaces, limiting mobility and increasing recombination of free charge carriers. We investigated the growth of oxide on different 3C-SiC surfaces from first principles. Carbon antisite Csi defects are found to be strongly stabilized in particular at the interface, because carbon changes its hybridization from sp3 in the SiC-bulk to sp2 at the interface, creating a dangling bond inside a porous region of the SiO2 passivating layer. Combining ab initio g-tensor calculations and electron paramagnetic resonance (EPR) measurements, we show that Csi defects explain the measured EPR signatures, while the hyperfine structure allows to obtain local structural information of the oxide layer. Financial support from BMBF NanoMatFutur Grant 13N12972 and DFG priority program SPP-1601 is gratefully acknowledged.

  3. High-voltage electron-microscope investigation of point-defect agglomerates in irradiated copper during in-situ annealing

    International Nuclear Information System (INIS)

    Jaeger, W.; Urban, K.; Frank, W.

    1980-01-01

    Thin copper foils were irradiated with 650 keV electrons at 10 K in a high-voltage electron microscope (HVEM) to doses phi in the range 2 x 10 23 electrons/m 2 approximately 25 electrons /m 2 and then annealed in situ up to room temperature and outside the HVEM between room temperature and 470 K. During irradiation visible defect clusters were formed only at phi >= 2.5 x 10 24 electrons/m 2 . At smaller doses defect clusters became visible after annealing at 50 K. Between 50 K and 120 K further clusters, mainly dislocation loops on brace111 planes, appeared. Above 120 K, particularly between 160 K and 300 K, some of the dislocation loops became glissile. They glided out of the specimens or agglomerated to larger clusters of frequently complex shapes. As a consequence between 160 K and 300 K the cluster density decreased strongly, whereas the mean cluster size increased monotonously through the entire range of annealing temperatures covered. Contrast analyses between 180 K and 400 K revealed that the great majority of the dislocation loops were of interstitial type. At 470 K a new type of small clusters emerged, presumably of vacancy type. These observations are compared with other studies on electron-irradiated copper and with the current models of radiation damage in metals. (author)

  4. On the interplay of point defects and Cd in non-polar ZnCdO films

    International Nuclear Information System (INIS)

    Zubiaga, A.; Reurings, F.; Tuomisto, F.; Plazaola, F.; García, J. A.; Kuznetsov, A. Yu.; Egger, W.; Zúñiga-Pérez, J.; Muñoz-Sanjosé, V.

    2013-01-01

    Non-polar ZnCdO films, grown over m- and r-sapphire with a Cd concentration ranging between 0.8% and 5%, have been studied by means of slow positron annihilation spectroscopy (PAS) combined with chemical depth profiling by secondary ion mass spectroscopy and Rutherford back-scattering. Vacancy clusters and Zn vacancies with concentrations up to 10 17 cm −3 and 10 18 cm −3 , respectively, have been measured inside the films. Secondary ion mass spectroscopy results show that most Cd stays inside the ZnCdO film but the diffused atoms can penetrate up to 1.3 μm inside the ZnO buffer. PAS results give an insight to the structure of the meta-stable ZnCdO above the thermodynamical solubility limit of 2%. A correlation between the concentration of vacancy clusters and Cd has been measured. The concentration of Zn vacancies is one order of magnitude larger than in as-grown non-polar ZnO films and the vacancy cluster are, at least partly, created by the aggregation of smaller Zn vacancy related defects. The Zn vacancy related defects and the vacancy clusters accumulate around the Cd atoms as a way to release the strain induced by the substitutional Cd Zn in the ZnO crystal.

  5. On the interplay of point defects and Cd in non-polar ZnCdO films

    Energy Technology Data Exchange (ETDEWEB)

    Zubiaga, A.; Reurings, F.; Tuomisto, F. [Department of Applied Physics, Aalto University, P.O. Box 11100, 00076 Aalto, Espoo (Finland); Plazaola, F. [Elektrizitatea eta Elektronika/Fisika Aplikatua II Sailak, Euskal Herriko Unibertsitatea, Posta Kutxatila 644, 48080 Bilbao (Spain); Garcia, J. A. [Fisika Aplikatua II Saila, Euskal Herriko Unibertsitatea, Posta Kutxatila 644, 48080 Bilbao (Spain); Kuznetsov, A. Yu. [Department of Physics, University of Oslo, P.O. Box 1048 Blindern, NO-0316 Oslo (Norway); Egger, W. [Inst. fuer Angewandte Physik und Messtechnik, Univ. der Bundeswehr Muenchen, 87755 Neubiberg (Germany); Zuniga-Perez, J. [CRHEA CNRS, F-06560 Valbonne (France); Munoz-Sanjose, V. [Dept. de Fisica Aplicada i Electromagnetisme, c/ Doctor Moliner 50, E-46100 Burjassot (Valencia) (Spain)

    2013-01-14

    Non-polar ZnCdO films, grown over m- and r-sapphire with a Cd concentration ranging between 0.8% and 5%, have been studied by means of slow positron annihilation spectroscopy (PAS) combined with chemical depth profiling by secondary ion mass spectroscopy and Rutherford back-scattering. Vacancy clusters and Zn vacancies with concentrations up to 10{sup 17} cm{sup -3} and 10{sup 18} cm{sup -3}, respectively, have been measured inside the films. Secondary ion mass spectroscopy results show that most Cd stays inside the ZnCdO film but the diffused atoms can penetrate up to 1.3 {mu}m inside the ZnO buffer. PAS results give an insight to the structure of the meta-stable ZnCdO above the thermodynamical solubility limit of 2%. A correlation between the concentration of vacancy clusters and Cd has been measured. The concentration of Zn vacancies is one order of magnitude larger than in as-grown non-polar ZnO films and the vacancy cluster are, at least partly, created by the aggregation of smaller Zn vacancy related defects. The Zn vacancy related defects and the vacancy clusters accumulate around the Cd atoms as a way to release the strain induced by the substitutional Cd{sub Zn} in the ZnO crystal.

  6. On the interplay of point defects and Cd in non-polar ZnCdO films

    Science.gov (United States)

    Zubiaga, A.; Reurings, F.; Tuomisto, F.; Plazaola, F.; García, J. A.; Kuznetsov, A. Yu.; Egger, W.; Zúñiga-Pérez, J.; Muñoz-Sanjosé, V.

    2013-01-01

    Non-polar ZnCdO films, grown over m- and r-sapphire with a Cd concentration ranging between 0.8% and 5%, have been studied by means of slow positron annihilation spectroscopy (PAS) combined with chemical depth profiling by secondary ion mass spectroscopy and Rutherford back-scattering. Vacancy clusters and Zn vacancies with concentrations up to 1017 cm-3 and 1018 cm-3, respectively, have been measured inside the films. Secondary ion mass spectroscopy results show that most Cd stays inside the ZnCdO film but the diffused atoms can penetrate up to 1.3 μm inside the ZnO buffer. PAS results give an insight to the structure of the meta-stable ZnCdO above the thermodynamical solubility limit of 2%. A correlation between the concentration of vacancy clusters and Cd has been measured. The concentration of Zn vacancies is one order of magnitude larger than in as-grown non-polar ZnO films and the vacancy cluster are, at least partly, created by the aggregation of smaller Zn vacancy related defects. The Zn vacancy related defects and the vacancy clusters accumulate around the Cd atoms as a way to release the strain induced by the substitutional CdZn in the ZnO crystal.

  7. a Positron 2D-ACAR Study of the Silicon-Dioxide Interface and the Point Defects in the Semi-Insulating Gallium Arsenide

    Science.gov (United States)

    Peng, Jianping

    The SiO_2-Si system has been the subject of extensive study for several decades. Particular interest has been paid to the interface between Si single crystal and the amorphous SiO_2 which determines the properties and performances of devices. This is significant because of the importance of Si technology in the semiconductor industry. The development of the high-intensity slow positron beam at Brookhaven National Laboratory make it possible to study this system for the first time using the positron two-dimensional angular correlation of annihilation radiation (2D-ACAR) technique. 2D-ACAR is a well established and is a non-destructive microscopic probe for studying the electronic structure of materials, and for doing the depth-resolved measurements. Some unique information was obtained from the measurements performed on the SiO_2-Si system: Positronium (Ps) atoms formation and trapping in microvoids in both oxide and interface regions; and positron annihilation at vacancy-like defects in the interface region which can be attributed to the famous Pb centers. The discovery of the microvoids in the interface region may have some impact on the fabrication of the next generation electronic devices. Using the conventional 2D-ACAR setup with a ^{22}Na as positron source, we also studied the native arsenic (As) vacancy in the semi -insulating gallium-arsenide (SI-GaAs), coupled with in situ infrared light illumination. The defect spectrum was obtained by comparing the spectrum taken without photo -illumination to the spectrum taken with photo-illumination. The photo-illumination excited electrons from valence band to the defect level so that positrons can become localized in the defects. The two experiments may represent a new direction of the application of positron 2D-ACAR technique on the solid state physics and materials sciences.

  8. Study by electronic structure calculations of the radiation damage in the UO2 nuclear fuel: behaviour of the point defects and fission gases

    International Nuclear Information System (INIS)

    Vathonne, Emerson

    2014-01-01

    Uranium dioxide (UO 2 ) is worldwide the most widely used fuel in nuclear plants in the world and in particular in pressurized water reactors (PWR). In-pile the fission of uranium nuclei creates fission products and point defects in the fuel. The understanding of the evolution of these radiation damages requires a multi-scale modelling approach of the nuclear fuel, from the scale of the pellet to the atomic scale. We used an electronic structure calculation method based on the density functional theory (DFT) to model radiation damage in UO 2 at the atomic scale. A Hubbard-type Coulomb interaction term is added to the standard DFT formalism to take into account the strong correlations of the 5f electrons in UO 2 . This method is used to study point defects with various charge states and the incorporation and diffusion of krypton in uranium dioxide. This study allowed us to obtain essential data for higher scale models but also to interpret experimental results. In parallel of this study, three ways to improve the state of the art of electronic structure calculations of UO 2 have been explored: the consideration of the spin-orbit coupling neglected in current point defect calculations, the application of functionals allowing one to take into account the non-local interactions such as van der Waals interactions important for rare gases and the use of the Dynamical Mean Field Theory combined to the DFT method in order to take into account the dynamical effects in the 5f electron correlations. (author) [fr

  9. The effect of correlated and point defects on the vortex lattice melting transition in single-crystal YBa2Cu3O7-δ

    International Nuclear Information System (INIS)

    Kwok, W.K.; Fendrich, J.; Fleshler, S.; Welp, U.; Downey, J.; Crabtree, G.W.; Giapintzakis, J.

    1994-01-01

    The vortex melting transition T m in several untwinned and twinned crystals is measured resistively in fields up to 8T. A Lindemann criterion for vortex lattice melting is obtained in addition to a sharp hysteresis in the magnetoresistance at B m supporting a first-order phase transition. The anisotropy of twin boundary pinning and its reduction of the 'kink' in ρ(T) associated with the first-order melting transition is discussed in samples with very dilute twin boundaries. We also report on the direct suppression of the the melting transition by intrinsic pinning for H parallel ab and by electron-irradiation-induced point defects. (orig.)

  10. The effect of correlated and point defects on the vortex lattice melting transition in single crystal YBa2Cu3O7-δ

    International Nuclear Information System (INIS)

    Kwok, W.K.; Fleshler, S.; Welp, U.; Downey, J.; Crabtree, G.W.; Fendrich, J. Giapintzakis, J.

    1993-08-01

    The vortex melting transition T m in several untwinned and twinned crystals measured resistively in fields up to 8 Tesla. A Lindemann criterion for vortex lattice melting is obtained in addition to a sharp hysteresis in the magnetoresistance at B m supporting a first order phase transition. The anisotropy of twin boundary pinning and its reduction of the ''kink'' in ρ(T) associated with the first order melting transition is discussed in samples with very dilute twin boundaries. We also report on direct suppression of melting transition by intrinsic pinning for H parallel ab and by electron-irradiation-induced point defects

  11. In situ observation of modulated light emission of fiber fuse synchronized with void train over hetero-core splice point.

    Directory of Open Access Journals (Sweden)

    Shin-ichi Todoroki

    Full Text Available BACKGROUND: Fiber fuse is a process of optical fiber destruction under the action of laser radiation, found 20 years ago. Once initiated, opical discharge runs along the fiber core region to the light source and leaves periodic voids whose shape looks like a bullet pointing the direction of laser beam. The relation between damage pattern and propagation mode of optical discharge is still unclear even after the first in situ observation three years ago. METHODOLOGY/PRINCIPAL FINDINGS: Fiber fuse propagation over hetero-core splice point (Corning SMF-28e and HI 1060 was observed in situ. Sequential photographs obtained at intervals of 2.78 micros recorded a periodic emission at the tail of an optical discharge pumped by 1070 nm and 9 W light. The signal stopped when the discharge ran over the splice point. The corresponding damage pattern left in the fiber core region included a segment free of periodicity. CONCLUSIONS: The spatial modulation pattern of the light emission agreed with the void train formed over the hetero-core splice point. Some segments included a bullet-shaped void pointing in the opposite direction to the laser beam propagation although the sequential photographs did not reveal any directional change in the optical discharge propagation.

  12. Effect of cladding defect size on the oxidation of irradiated spent LWR [light-water reactor] fuel below 3690C

    International Nuclear Information System (INIS)

    Einziger, R.E.; Strain, R.V.

    1984-01-01

    Tests on spent fuel fragments and rod segments were conducted between 250 and 360 0 C to relate temperature, defect size, and fuel oxidation rate with time-to-cladding-splitting. Defect sizes from 760 μm diameter down to 8 μm, the size of an SCC type breach, were used. Above 283 0 C, the time-to-cladding-splitting was longer for the smaller defects. The enhancement of the incubation time by smaller defects steadily decreased with temperature and was not detected at 250 0 C. 18 refs., 10 figs., 4 tabs

  13. Dynamics in discrete two-dimensional nonlinear Schrödinger equations in the presence of point defects

    DEFF Research Database (Denmark)

    Christiansen, Peter Leth; Gaididei, Yuri Borisovich; Rasmussen, Kim

    1996-01-01

    The dynamics of two-dimensional discrete structures is studied in the framework of the generalized two-dimensional discrete nonlinear Schrodinger equation. The nonlinear coupling in the form of the Ablowitz-Ladik nonlinearity and point impurities is taken into account. The stability properties...... of the stationary solutions are examined. The essential importance of the existence of stable immobile solitons in the two-dimensional dynamics of the traveling pulses is demonstrated. The typical scenario of the two-dimensional quasicollapse of a moving intense pulse represents the formation of standing trapped...... narrow spikes. The influence of the point impurities on this dynamics is also investigated....

  14. Quantifying He-point defect interactions in Fe through coordinated experimental and modeling studies of He-ion implanted single-crystal Fe

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Xunxiang, E-mail: xunxianghu@berkeley.edu [Department of Nuclear Engineering, University of California, Berkeley, CA 94720-1730 (United States); Xu, Donghua; Wirth, Brian D. [Department of Nuclear Engineering, University of California, Berkeley, CA 94720-1730 (United States); Department of Nuclear Engineering, University of Tennessee, Knoxville, TN 37996-2300 (United States)

    2013-11-15

    Understanding the effects of helium on the microstructural evolution and mechanical properties of structural materials are among the most challenging issues in fusion materials research. In this work, we combine thermal helium desorption spectroscopy (THDS) with positron annihilation spectroscopy (PAS) and a spatially dependent cluster dynamics model to investigate the energetics of helium-point defect interactions in helium-implanted single-crystal iron. The combination of modeling and thermal desorption measurements allows identification of the binding energies of small He–V clusters, the migration energy of single vacancy and possible mechanisms (e.g., shrinkage of He{sub 3}V{sub 2} clusters) responsible for measured Helium desorption peaks, and the effect of impurities (e.g., carbon) on these values. Furthermore, the model predicts the depth dependence of the helium and helium–vacancy clusters as a function of time and temperature during the thermal desorption measurement. Here, we report the THDS measurement results as a function of He implantation energy from 10 to 40 keV at a fluence level of 1 × 10{sup 15} He/cm{sup 2}, along with selected PAS measurements. The experimental results are compared to the modeling predictions to evaluate the extent to which self-consistent values of the He-point defect binding and interaction energies and diffusivities can explain the data.

  15. A Point Mutation in p190A RhoGAP Affects Ciliogenesis and Leads to Glomerulocystic Kidney Defects.

    Directory of Open Access Journals (Sweden)

    Katherine Stewart

    2016-02-01

    Full Text Available Rho family GTPases act as molecular switches regulating actin cytoskeleton dynamics. Attenuation of their signaling capacity is provided by GTPase-activating proteins (GAPs, including p190A, that promote the intrinsic GTPase activity of Rho proteins. In the current study we have performed a small-scale ENU mutagenesis screen and identified a novel loss of function allele of the p190A gene Arhgap35, which introduces a Leu1396 to Gln substitution in the GAP domain. This results in decreased GAP activity for the prototypical Rho-family members, RhoA and Rac1, likely due to disrupted ordering of the Rho binding surface. Consequently, Arhgap35-deficient animals exhibit hypoplastic and glomerulocystic kidneys. Investigation into the cystic phenotype shows that p190A is required for appropriate primary cilium formation in renal nephrons. P190A specifically localizes to the base of the cilia to permit axoneme elongation, which requires a functional GAP domain. Pharmacological manipulations further reveal that inhibition of either Rho kinase (ROCK or F-actin polymerization is able to rescue the ciliogenesis defects observed upon loss of p190A activity. We propose a model in which p190A acts as a modulator of Rho GTPases in a localized area around the cilia to permit the dynamic actin rearrangement required for cilia elongation. Together, our results establish an unexpected link between Rho GTPase regulation, ciliogenesis and glomerulocystic kidney disease.

  16. Color point tuning for (Sr,Ca,Ba)Si2O2N2:Eu2+ for white light LEDs

    NARCIS (Netherlands)

    Bachmann, V.M.; Ronda, R.C.; Meijerink, A.; Oeckler, O.; Schnick, W.

    2009-01-01

    Color point tuning is an important challenge for improving white light LEDs. In this paper, the possibilities of color tuning with the efficient LED phosphor Sr1-x-y-zCaxBaySi2O2N2:Euz 2+ (0 e x, y e 1; 0.005 e z e 0.16) are investigated. The emission color can be tuned in two ways: by changing Eu2+

  17. A portable low-cost 3D point cloud acquiring method based on structure light

    Science.gov (United States)

    Gui, Li; Zheng, Shunyi; Huang, Xia; Zhao, Like; Ma, Hao; Ge, Chao; Tang, Qiuxia

    2018-03-01

    A fast and low-cost method of acquiring 3D point cloud data is proposed in this paper, which can solve the problems of lack of texture information and low efficiency of acquiring point cloud data with only one pair of cheap cameras and projector. Firstly, we put forward a scene adaptive design method of random encoding pattern, that is, a coding pattern is projected onto the target surface in order to form texture information, which is favorable for image matching. Subsequently, we design an efficient dense matching algorithm that fits the projected texture. After the optimization of global algorithm and multi-kernel parallel development with the fusion of hardware and software, a fast acquisition system of point-cloud data is accomplished. Through the evaluation of point cloud accuracy, the results show that point cloud acquired by the method proposed in this paper has higher precision. What`s more, the scanning speed meets the demand of dynamic occasion and has better practical application value.

  18. Defect induced photoluminescence in MoS2 quantum dots and effect of Eu3+/Tb3+ co-doping towards efficient white light emission

    Science.gov (United States)

    Haldar, Dhrubaa; Ghosh, Arnab; Bose, Saptasree; Mondal, Supriya; Ghorai, Uttam Kumar; Saha, Shyamal K.

    2018-05-01

    Intensive research has been carried out on optical properties of MoS2 quantum dots for versatile applications in photo catalytic, sensing and optoelectronic devices. However, white light generation from MoS2 quantum dots particularly using doping effect is relatively unexplored. Herein we report successful synthesis of Europium (Eu)/Terbium (Tb) co-doped MoS2 quantum dots to achieve white light for potential applications in optoelectronic devices. The dopant ions are introduced into the host lattice to retain the emission colors to cover the entire range of visible light of solar spectrum. Perfect white light (CIE = 0.31, 0.33) with high intensity (quantum yield = 28.29%) is achieved in these rare earth elements co-doped quantum dot system. A new peak is observed in the NIR region which is attributed to the defects present in MoS2 quantum dots. Temperature dependent study has been carried out to understand the origin of this new peak in the NIR region. It is seen that the 'S' defects in the QDs cause the appearance of this peak which shows a blue shift at higher temperature.

  19. ''Anomalous'' air showers from point sources: Mass limits and light curves

    International Nuclear Information System (INIS)

    Domokos, G.; Elliott, B.; Kovesi-Domokos, S.

    1993-01-01

    We describe a method to obtain upper limits on the mass of the primaries of air showers associated with point sources. One also obtains the UHE pulse shape of a pulsar if its period is observed in the signal. As an example, we analyze the data obtained during a recent burst of Hercules-X1

  20. Contribution to the study of point defects formed in nickel by electron bombardment; Contribution a l'etude des defauts ponctuels crees par bombardement electronique dans le nickel

    Energy Technology Data Exchange (ETDEWEB)

    Oddou, J L [Commissariat a l' Energie Atomique, 38 - Grenoble (France). Centre d' Etudes Nucleaires

    1968-12-01

    After a short account of the experimental techniques employed in our studies, the experimental results obtained on pure nickel samples are exposed. The apparition of the successive annihilation stages of point defects created by electron bombardment is established by isochronal heat treatments: the annihilation kinetics and the corresponding activation energies are determined. The effect of the incident particle doses is also studied. The experimental results are then compared with R.A. Johnson's theoretical calculations of the stability and the migration of point defects in nickel, and taking into account the results obtained by Peretto in magnetic after effect measurements. This leads us to a model in good agreement with calculations and experiment for the first stages. In a second chapter the behaviour of nickel doped by certain impurities is studied. First, the results concerning the rate of increase of resistivity (function of sample purity) is investigated. Two possible explanations of the observed phenomenon are proposed: either a deviation with respect to Mathiessen's law, or an increase of the number of defects formed in the presence of impurity atoms. Finally, a study of the resistivity recovery of the doped samples permits us to suggest an order of magnitude for the binding energy interstitial/impurity atom in the nickel matrix. (author) [French] Apres avoir brievement rappele les techniques experimentales que nous avons utilisees pour cette etude, nous exposons les resultats experimentaux obtenus sur des echantillons de nickel pur. Les stades successifs d'annihilation des defauts ponctuels crees par bombardement electronique sont mis en evidence par traitements thermiques isochrones; les cinetiques de disparition, et les energies d'activation correspondantes sont determinees. Nous etudions egalement l'effet de la dose des particules incidentes. Les resultats experimentaux sont ensuite compares avec les calculs theoriques de R.A JOHNSON sur la stabilite

  1. Study on Scattered Data Points Interpolation Method Based on Multi-line Structured Light

    International Nuclear Information System (INIS)

    Fan, J Y; Wang, F G; W, Y; Zhang, Y L

    2006-01-01

    Aiming at the range image obtained through multi-line structured light, a regional interpolation method is put forward in this paper. This method divides interpolation into two parts according to the memory format of the scattered data, one is interpolation of the data on the stripes, and the other is interpolation of data between the stripes. Trend interpolation method is applied to the data on the stripes, and Gauss wavelet interpolation method is applied to the data between the stripes. Experiments prove regional interpolation method feasible and practical, and it also promotes the speed and precision

  2. Compact collimators designed with a modified point approximation for light-emitting diodes

    Science.gov (United States)

    Luo, Tao; Wang, Gang

    2017-09-01

    We present a novel freeform lens design method for an application to LED collimating illumination. The method is derived from a basic geometric-optics analysis and construction approach. By using this method, a compact collimated lenses with Aspect Ratio = 0.219 is presented. Moreover, the utility efficiency (UE) inside the angle defined by ideal concentrator hypothesis with different lens-to-LED size ratios for both this lens and TIR lens are presented. A prototype of the collimator lens is also made to verify the practical performance of the lens, which has light distribution very compatible with the simulation results.

  3. Comparison of one-dimensional and point kinetics for various light water reactor transients

    International Nuclear Information System (INIS)

    Naser, J.A.; Lin, C.; Gose, G.C.; McClure, J.A.; Matsui, Y.

    1985-01-01

    The object of this paper is to compare the results from the three kinetics options: 1) point kinetics; 2) point kinetics by not changing the shape function; and 3) one-dimensional kinetics for various transients on both BWRs and PWRs. A systematic evaluation of the one-dimensional kinetics calculation and its alternatives is performed to determine the status of these models and to identify additional development work. In addition, for PWRs, the NODEP-2 - NODETRAN and SIMULATE - SIMTRAN paths for calculating kinetics parameters are compared. This type of comparison has not been performed before and is needed to properly evaluate the RASP methodology of which these codes are a part. It should be noted that RASP is in its early pre-release stage and this is the first serious attempt to examine the consistency between these two similar but different methods of generating physics parameters for the RETRAN computer code

  4. Lighting.

    Energy Technology Data Exchange (ETDEWEB)

    United States. Bonneville Power Administration.

    1992-09-01

    Since lighting accounts for about one-third of the energy used in commercial buildings, there is opportunity to conserve. There are two ways to reduce lighting energy use: modify lighting systems so that they used less electricity and/or reduce the number of hours the lights are used. This booklet presents a number of ways to do both. Topics covered include: reassessing lighting levels, reducing lighting levels, increasing bulb & fixture efficiency, using controls to regulate lighting, and taking advantage of daylight.

  5. The rise of the photosynthetic rate when light intensity increases is delayed in ndh gene-defective tobacco at high but not at low CO2 concentrations

    Directory of Open Access Journals (Sweden)

    Mercedes eMartin

    2015-02-01

    Full Text Available The 11 plastid ndh genes have hovered frequently on the edge of dispensability, being absent in the plastid DNA of many algae and certain higher plants. We have compared the photosynthetic activity of tobacco (Nicotiana tabacum, cv. Petit Havana with five transgenic lines (ndhF, pr-ndhF, T181D, T181A and ndhF FC and found that photosynthetic performance is impaired in transgenic ndhF-defective tobacco plants at rapidly fluctuating light intensities and higher than ambient CO2 concentrations. In contrast to wild type and ndhF FC, which reach the maximum photosynthetic rate in less than one min when light intensity suddenly increases, ndh defective plants (ndhF and T181A show up to a 5 min delay in reaching the maximum photosynthetic rate at CO2 concentrations higher than the ambient 360 ppm. Net photosynthesis was determined at different CO2 concentrations when sequences of 130, 870, 61, 870 and 130 μmol m−2 s−1 PAR sudden light changes were applied to leaves and photosynthetic efficiency and entropy production were determined as indicators of photosynthesis performance. The two ndh-defective plants, ndhF and T181A, had lower photosynthetic efficiency and higher entropy production than wt, ndhF FC and T181D tobacco plants, containing full functional ndh genes, at CO2 concentrations above 400 ppm. We propose that the Ndh complex improves cyclic electron transport by adjusting the redox level of transporters during the low light intensity stage. In ndhF-defective strains, the supply of electrons through the Ndh complex fails, transporters remain over-oxidized (specially at high CO2 concentrations and the rate of cyclic electron transport is low, impairing the ATP level required to rapidly reach high CO2 fixation rates in the following high light phase. Hence, ndh genes could be dispensable at low but not at high atmospheric concentrations of CO2.

  6. Correlation of point defects in CdZnTe with charge transport:application to room-temperature X-ray and gamma-ray detectors. Final Technical Report

    International Nuclear Information System (INIS)

    Giles, Nancy C.

    2003-01-01

    The primary goal of this project has been to characterize and identify point defects (e.g., impurities, vacancies, vacancy-impurity complexes, etc.) in CdZnTe and determine the mechanisms by which these defects influence the carrier μτproducts. Special attention is given to the role of shallow donors, shallow acceptors, and deeper acceptors. There are two experimental focus areas in the project: (1) liquid-helium photoluminescence (PL) and PL excitation spectroscopy are used to identify and characterize donors and acceptors and to determine zinc molar fraction; and (2) electron paramagnetic resonance (EPR) and photoinduced EPR experiments are performed at liquid-helium temperature to identify paramagnetic point defects and to determine the concentration of these defects. Results from the two experimental focus areas are correlated with detector performance parameters (e.g., electron and hole μτ products), crystal growth conditions, and microstructure analyses

  7. Major difference in visible-light photocatalytic features between perfect and self-defective Ta3N5 materials: A screened coulomb hybrid dft investigation

    KAUST Repository

    Harb, Moussab

    2014-09-11

    Relevant properties to visible-light overall water splitting reactions of perfect and self-defective bulk Ta3N5 semiconductor photocatalysts are investigated using accurate first-principles quantum calculations on the basis of density functional theory (DFT, including the perturbation theory DFPT) within the screened coulomb hybrid (HSE06) exchange-correlation formalism. Among the various explored self-defective structures, a strong stabilization is obtained for the configuration displaying a direct interaction between the created N- and Ta-vacancies. In the lowest-energy structure, each of the three created Ta-vacancies and the five created N-vacancies is found to be in aggregated disposition, leading to the formation of cages into the lattice. Although the calculated structural, electronic, and optical properties of the two materials are found to be very similar and in good agreement with available experimental works, their photocatalytic features for visible-light overall water splitting reactions show completely different behaviors. On the basis of calculated band edge positions relative to water redox potentials, the perfect Ta3N5 (calculated band gap of 2.2 eV) is predicted by HSE06 to be a good candidate only for H+ reduction while the self-defective Ta3N5 (calculated band gap of 2.0 eV) reveals suitable band positions for both water oxidation and H+ reduction similar to the experimental data reported on Ta3N5 powders. Its ability to reduce H+ is predicted to be lower than the perfect one. However, the strongly localized electronic characters of the valence band (VB) and conduction band (CB) edge states of the self-defective material only on the N 2p and Ta 5d orbitals surrounding the aggregated N- and Ta-vacancies are expected to strongly limit the probability of photogenerated carrier mobility through its crystal structure.

  8. Diagonal form factors and heavy-heavy-light three-point functions at weak coupling

    International Nuclear Information System (INIS)

    Hollo, Laszlo; Jiang, Yunfeng; Petrovskii, Andrei

    2015-01-01

    In this paper we consider a special kind of three-point functions of HHL type at weak coupling in N=4 SYM theory and analyze its volume dependence. At strong coupling this kind of three-point functions were studied recently by Bajnok, Janik and Wereszczynski http://dx.doi.org/10.1007/JHEP09(2014)050. The authors considered some cases of HHL correlator in the su(2) sector and, relying on their explicit results, formulated a conjecture about the form of the volume dependence of the symmetric HHL structure constant to be valid at any coupling up to wrapping corrections. In order to test this hypothesis we considered the HHL correlator in su(2) sector at weak coupling and directly showed that, up to one loop, the finite volume dependence has exactly the form proposed in http://dx.doi.org/10.1007/JHEP09(2014)050. Another side of the conjecture suggests that computation of the symmetric structure constant is equivalent to computing the corresponding set of infinite volume form factors, which can be extracted as the coefficients of finite volume expansion. In this sense, extracting appropriate coefficients from our result gives a prediction for the corresponding infinite volume form factors.

  9. Diagonal form factors and heavy-heavy-light three-point functions at weak coupling

    Energy Technology Data Exchange (ETDEWEB)

    Hollo, Laszlo [MTA Lendület Holographic QFT Group, Wigner Research Centre for Physics,H-1525 Budapest 114, P.O.B. 49 (Hungary); Jiang, Yunfeng; Petrovskii, Andrei [Institut de Physique Théorique, DSM, CEA, URA2306 CNRS,Saclay, F-91191 Gif-sur-Yvette (France)

    2015-09-18

    In this paper we consider a special kind of three-point functions of HHL type at weak coupling in N=4 SYM theory and analyze its volume dependence. At strong coupling this kind of three-point functions were studied recently by Bajnok, Janik and Wereszczynski http://dx.doi.org/10.1007/JHEP09(2014)050. The authors considered some cases of HHL correlator in the su(2) sector and, relying on their explicit results, formulated a conjecture about the form of the volume dependence of the symmetric HHL structure constant to be valid at any coupling up to wrapping corrections. In order to test this hypothesis we considered the HHL correlator in su(2) sector at weak coupling and directly showed that, up to one loop, the finite volume dependence has exactly the form proposed in http://dx.doi.org/10.1007/JHEP09(2014)050. Another side of the conjecture suggests that computation of the symmetric structure constant is equivalent to computing the corresponding set of infinite volume form factors, which can be extracted as the coefficients of finite volume expansion. In this sense, extracting appropriate coefficients from our result gives a prediction for the corresponding infinite volume form factors.

  10. The signer and the sign: cortical correlates of person identity and language processing from point-light displays.

    Science.gov (United States)

    Campbell, Ruth; Capek, Cheryl M; Gazarian, Karine; MacSweeney, Mairéad; Woll, Bencie; David, Anthony S; McGuire, Philip K; Brammer, Michael J

    2011-09-01

    In this study, the first to explore the cortical correlates of signed language (SL) processing under point-light display conditions, the observer identified either a signer or a lexical sign from a display in which different signers were seen producing a number of different individual signs. Many of the regions activated by point-light under these conditions replicated those previously reported for full-image displays, including regions within the inferior temporal cortex that are specialised for face and body-part identification, although such body parts were invisible in the display. Right frontal regions were also recruited - a pattern not usually seen in full-image SL processing. This activation may reflect the recruitment of information about person identity from the reduced display. A direct comparison of identify-signer and identify-sign conditions showed these tasks relied to a different extent on the posterior inferior regions. Signer identification elicited greater activation than sign identification in (bilateral) inferior temporal gyri (BA 37/19), fusiform gyri (BA 37), middle and posterior portions of the middle temporal gyri (BAs 37 and 19), and superior temporal gyri (BA 22 and 42). Right inferior frontal cortex was a further focus of differential activation (signer>sign). These findings suggest that the neural systems supporting point-light displays for the processing of SL rely on a cortical network including areas of the inferior temporal cortex specialized for face and body identification. While this might be predicted from other studies of whole body point-light actions (Vaina, Solomon, Chowdhury, Sinha, & Belliveau, 2001) it is not predicted from the perspective of spoken language processing, where voice characteristics and speech content recruit distinct cortical regions (Stevens, 2004) in addition to a common network. In this respect, our findings contrast with studies of voice/speech recognition (Von Kriegstein, Kleinschmidt, Sterzer

  11. Defects in conformal field theory

    International Nuclear Information System (INIS)

    Billò, Marco; Gonçalves, Vasco; Lauria, Edoardo; Meineri, Marco

    2016-01-01

    We discuss consequences of the breaking of conformal symmetry by a flat or spherical extended operator. We adapt the embedding formalism to the study of correlation functions of symmetric traceless tensors in the presence of the defect. Two-point functions of a bulk and a defect primary are fixed by conformal invariance up to a set of OPE coefficients, and we identify the allowed tensor structures. A correlator of two bulk primaries depends on two cross-ratios, and we study its conformal block decomposition in the case of external scalars. The Casimir equation in the defect channel reduces to a hypergeometric equation, while the bulk channel blocks are recursively determined in the light-cone limit. In the special case of a defect of codimension two, we map the Casimir equation in the bulk channel to the one of a four-point function without defect. Finally, we analyze the contact terms of the stress-tensor with the extended operator, and we deduce constraints on the CFT data. In two dimensions, we relate the displacement operator, which appears among the contact terms, to the reflection coefficient of a conformal interface, and we find unitarity bounds for the latter.

  12. Defects in conformal field theory

    Energy Technology Data Exchange (ETDEWEB)

    Billò, Marco [Dipartimento di Fisica, Università di Torino, and Istituto Nazionale di Fisica Nucleare - sezione di Torino,Via P. Giuria 1 I-10125 Torino (Italy); Gonçalves, Vasco [Centro de Física do Porto,Departamento de Física e Astronomia Faculdade de Ciências da Universidade do Porto, Rua do Campo Alegre 687, 4169-007 Porto (Portugal); ICTP South American Institute for Fundamental Research Instituto de Física Teórica,UNESP - University Estadual Paulista,Rua Dr. Bento T. Ferraz 271, 01140-070, São Paulo, SP (Brazil); Lauria, Edoardo [Institute for Theoretical Physics, KU Leuven, Celestijnenlaan 200D, B-3001 Leuven (Belgium); Meineri, Marco [Perimeter Institute for Theoretical Physics,Waterloo, Ontario, N2L 2Y5 (Canada); Scuola Normale Superiore, and Istituto Nazionale di Fisica Nucleare - sezione di Pisa,Piazza dei Cavalieri 7 I-56126 Pisa (Italy)

    2016-04-15

    We discuss consequences of the breaking of conformal symmetry by a flat or spherical extended operator. We adapt the embedding formalism to the study of correlation functions of symmetric traceless tensors in the presence of the defect. Two-point functions of a bulk and a defect primary are fixed by conformal invariance up to a set of OPE coefficients, and we identify the allowed tensor structures. A correlator of two bulk primaries depends on two cross-ratios, and we study its conformal block decomposition in the case of external scalars. The Casimir equation in the defect channel reduces to a hypergeometric equation, while the bulk channel blocks are recursively determined in the light-cone limit. In the special case of a defect of codimension two, we map the Casimir equation in the bulk channel to the one of a four-point function without defect. Finally, we analyze the contact terms of the stress-tensor with the extended operator, and we deduce constraints on the CFT data. In two dimensions, we relate the displacement operator, which appears among the contact terms, to the reflection coefficient of a conformal interface, and we find unitarity bounds for the latter.

  13. Topological defects from the multiverse

    Science.gov (United States)

    Zhang, Jun; Blanco-Pillado, Jose J.; Garriga, Jaume; Vilenkin, Alexander

    2015-05-01

    Many theories of the early universe predict the existence of a multiverse where bubbles continuously nucleate giving rise to observers in their interior. In this paper, we point out that topological defects of several dimensionalities will also be produced in de Sitter like regions of the multiverse. In particular, defects could be spontaneously nucleated in our parent vacuum. We study the evolution of these defects as they collide with and propagate inside of our bubble. We estimate the present distribution of defects in the observable part of the universe. The expected number of such nearby defects turns out to be quite small, even for the highest nucleation rate. We also study collisions of strings and domain walls with our bubble in our past light cone. We obtain simulated full-sky maps of the loci of such collisions, and find their angular size distribution. Similarly to what happens in the case of bubble collisions, the prospect of detecting any collisions of our bubble with ambient defects is greatly enhanced in the case where the cosmological constant of our parent vacuum is much higher than the vacuum energy density during inflation in our bubble.

  14. Topological defects from the multiverse

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Jun [Institute of Cosmology, Department of Physics and Astronomy, Tufts University, Medford, MA 02155 (United States); Blanco-Pillado, Jose J. [Department of Theoretical Physics, University of the Basque Country UPV/EHU, 48080 Bilbao (Spain); IKERBASQUE, Basque Foundation for Science, 48013, Bilbao (Spain); Garriga, Jaume [Departament de Fisica Fonamental i Institut de Ciencies del Cosmos, Universitat de Barcelona, Marti i Franques, 1, 08028, Barcelona (Spain); Vilenkin, Alexander [Institute of Cosmology, Department of Physics and Astronomy, Tufts University, Medford, MA 02155 (United States)

    2015-05-28

    Many theories of the early universe predict the existence of a multiverse where bubbles continuously nucleate giving rise to observers in their interior. In this paper, we point out that topological defects of several dimensionalities will also be produced in de Sitter like regions of the multiverse. In particular, defects could be spontaneously nucleated in our parent vacuum. We study the evolution of these defects as they collide with and propagate inside of our bubble. We estimate the present distribution of defects in the observable part of the universe. The expected number of such nearby defects turns out to be quite small, even for the highest nucleation rate. We also study collisions of strings and domain walls with our bubble in our past light cone. We obtain simulated full-sky maps of the loci of such collisions, and find their angular size distribution. Similarly to what happens in the case of bubble collisions, the prospect of detecting any collisions of our bubble with ambient defects is greatly enhanced in the case where the cosmological constant of our parent vacuum is much higher than the vacuum energy density during inflation in our bubble.

  15. Topological defects from the multiverse

    International Nuclear Information System (INIS)

    Zhang, Jun; Vilenkin, Alexander; Blanco-Pillado, Jose J.; Garriga, Jaume

    2015-01-01

    Many theories of the early universe predict the existence of a multiverse where bubbles continuously nucleate giving rise to observers in their interior. In this paper, we point out that topological defects of several dimensionalities will also be produced in de Sitter like regions of the multiverse. In particular, defects could be spontaneously nucleated in our parent vacuum. We study the evolution of these defects as they collide with and propagate inside of our bubble. We estimate the present distribution of defects in the observable part of the universe. The expected number of such nearby defects turns out to be quite small, even for the highest nucleation rate. We also study collisions of strings and domain walls with our bubble in our past light cone. We obtain simulated full-sky maps of the loci of such collisions, and find their angular size distribution. Similarly to what happens in the case of bubble collisions, the prospect of detecting any collisions of our bubble with ambient defects is greatly enhanced in the case where the cosmological constant of our parent vacuum is much higher than the vacuum energy density during inflation in our bubble

  16. Lighting

    Data.gov (United States)

    Federal Laboratory Consortium — Lighting Systems Test Facilities aid research that improves the energy efficiency of lighting systems. • Gonio-Photometer: Measures illuminance from each portion of...

  17. [Action of red polarized light on the acupuncture point E-36 increases analgesic effect of corvitin].

    Science.gov (United States)

    Tamarova, Z A; Lymans'kyĭ, Iu P; Kostiuk, O I; Mitruzaeva, V A; Lymans'ka, L I

    2010-01-01

    In experiments on mice of lines C57BL/6J and CBA/CaLac, the possibility of strengthening of analgesic effect of corvitin by the action of red polarized light (PL) on the acupoint (AP) E-36 was studied. The pain behavioral response (licking of the painful area) was caused by injection of 5% formalin in hind limb (0.25 microl subcutaneously). The duration of pain response was studied before and after systemic introduction of corvitin (10 mg/kg, intraperitoneal) or joint use of corvitin and red PL (10 minute session). It is established, that after application of red PL on the antinociceptive AP E-36 in all animals an authentic strengthening of antinociceptive effect of corvitin takes place. In C57BL/6J mice, application of corvitin alone weakened the pain response by 29.7% and during combined use of red PL and corvitin, it grew up to 53.1%. Mice of line CBA/CaLac were less sensitive both to corvitin, and PL. In this line, corvitin used alone reduced the duration of pain response by 14%, and by 32.4% during combined use with red PL. Non-traumatic, without side effects, the method of influence by low-intensive PL can be recommended to patients accepting corvitin for strengthening its efficiency.

  18. Study of points defects produced by irradiation of monocrystalline nickel and polycrystalline gadolinium; Etude des defauts ponctuels crees par irradiation dans: - le nickel monocristallin - le gadolinium polycristallin

    Energy Technology Data Exchange (ETDEWEB)

    Cope, R [Commissariat a l' Energie Atomique, Grenoble (France). Centre d' Etudes Nucleaires

    1969-07-01

    The work described in this thesis falls into two parts: the first comprises a study of magnetocrystalline nickel by resistivity measurements; the second is a description of resistivity and magnetic after effect measurements on an h.c.p. ferromagnetic crystal other than cobalt, namely gadolinium. For the first part we have demonstrated the existence of a small but definite orientation dependence in the creation of point defects by electron irradiation (20 deg. K) of a nickel single crystal. In particular, the effect is manifested in the form of the stage I{sub C}, II and III in the resistivity recovery. In the second part an important result has emerged: namely that there is no magnetic after effect phenomenon in a neutron irradiated (27 deg. K) ferromagnetic metal. Several considerations are discussed by way of a preliminary interpretation of this important difference between gadolinium and cobalt. (author) [French] Le travail qui a fait l'objet de ce memoire comporte deux parties distinctes: une premiere constituee de l'etude du nickel sous la forme de monocristaux, a l'aide de mesures de resistivite; la seconde partie est composee d'experiences de resistivite et de trainage magnetique sur un cristal h.c.p. ferromagnetique autre que le cobalt, le gadolinium. Dans la premiere partie, nous avons mis en evidence un effet sensible de la direction de l'irradiation electronique (a 20 deg. K) sur la creation des defauts ponctuels dans le nickel monocristallin, en particulier au niveau des stades I{sub C}, II et III des courbes de revenu de la resistivite. Dans la deuxieme partie, un point particulier a ete mis en evidence: l'absence de phenomene de trainage magnetique dans un metal ferromagnetique irradie par des neutrons (a 27 deg. K). Quelques points d'interpretations preliminaires sont avances pour expliquer la difference notable entre le gadolinium et le cobalt. (auteur)

  19. High-performance parallel approaches for three-dimensional light detection and ranging point clouds gridding

    Science.gov (United States)

    Rizki, Permata Nur Miftahur; Lee, Heezin; Lee, Minsu; Oh, Sangyoon

    2017-01-01

    With the rapid advance of remote sensing technology, the amount of three-dimensional point-cloud data has increased extraordinarily, requiring faster processing in the construction of digital elevation models. There have been several attempts to accelerate the computation using parallel methods; however, little attention has been given to investigating different approaches for selecting the most suited parallel programming model for a given computing environment. We present our findings and insights identified by implementing three popular high-performance parallel approaches (message passing interface, MapReduce, and GPGPU) on time demanding but accurate kriging interpolation. The performances of the approaches are compared by varying the size of the grid and input data. In our empirical experiment, we demonstrate the significant acceleration by all three approaches compared to a C-implemented sequential-processing method. In addition, we also discuss the pros and cons of each method in terms of usability, complexity infrastructure, and platform limitation to give readers a better understanding of utilizing those parallel approaches for gridding purposes.

  20. Light

    DEFF Research Database (Denmark)

    Prescott, N.B.; Kristensen, Helle Halkjær; Wathes, C.M.

    2004-01-01

    This chapter presents the effect of artificial light environments (light levels, colour, photoperiod and flicker) on the welfare of broilers in terms of vision, behaviour, lameness and mortality......This chapter presents the effect of artificial light environments (light levels, colour, photoperiod and flicker) on the welfare of broilers in terms of vision, behaviour, lameness and mortality...

  1. Cylindrical angular spectrum using Fourier coefficients of point light source and its application to fast hologram calculation.

    Science.gov (United States)

    Oh, Seungtaik; Jeong, Il Kwon

    2015-11-16

    We will introduce a new simple analytic formula of the Fourier coefficient of the 3D field distribution of a point light source to generate a cylindrical angular spectrum which captures the object wave in 360° in the 3D Fourier space. Conceptually, the cylindrical angular spectrum can be understood as a cylindrical version of the omnidirectional spectral approach of Sando et al. Our Fourier coefficient formula is based on an intuitive observation that a point light radiates uniformly in all directions. Our formula is defined over all frequency vectors lying on the entire sphere in the 3D Fourier space and is more natural and computationally more efficient for all around recording of the object wave than that of the previous omnidirectional spectral method. A generalized frequency-based occlusion culling method for an arbitrary complex object is also proposed to enhance the 3D quality of a hologram. As a practical application of the cylindrical angular spectrum, an interactive hologram example is presented together with implementation details.

  2. Acid-free co-operative self-assembly of graphene-ZnO nanocomposites and its defect mediated visible light photocatalytic activities

    Science.gov (United States)

    Parameshwari, R.; Jothivenkatachalam, K.; Banks, Craig E.; Jeganathan, K.

    2017-02-01

    We propose an acid-free and environmental friendly surfactant based approach to anchor zinc oxide (ZnO) nanoparticles on graphene. Herein, liquid-phase exfoliated graphene in water by ultrasonic waves has been used to prepare graphene-ZnO (G-ZnO) nanocomposites that circumvent the use of various toxic acids and chemicals which are generally used in the preparation of graphene-based nanocomposites. Oxygen vacancy related defect peaks observed by Raman and photoluminescence confirm the formation of C-O-Zn bond due to the synergistic interaction of carbon and zinc via oxygen atoms in G-ZnO nanocomposites. The enhanced photocatalytic behavior of G-ZnO under visible light as evaluated using the dye Rhodamine B holds its genesis from the intrinsic oxygen defects in G-ZnO. Furthermore, graphene acts as electron sink for accumulation of charges from defect levels of ZnO, which controls recombination of charge carriers. It is envisaged that the acid-free and facile strategy can be a potential route for the preparation of graphene-based hybrid materials using liquid-phase exfoliation methodology.

  3. Acid-free co-operative self-assembly of graphene-ZnO nanocomposites and its defect mediated visible light photocatalytic activities

    Energy Technology Data Exchange (ETDEWEB)

    Parameshwari, R. [Centre for Nanoscience and Nanotechnology, School of Physics, Bharathidasan University, Tiruchirappalli 620024, Tamil Nadu (India); Jothivenkatachalam, K. [Department of Chemistry, Anna University, Tiruchirappalli 620024, Tamil Nadu (India); Banks, Craig E. [Faculty of Science and Engineering, Manchester Metropolitan University, Chester Street, Manchester M1 5GD (United Kingdom); Jeganathan, K., E-mail: kjeganathan@yahoo.com [Centre for Nanoscience and Nanotechnology, School of Physics, Bharathidasan University, Tiruchirappalli 620024, Tamil Nadu (India)

    2017-02-01

    We propose an acid-free and environmental friendly surfactant based approach to anchor zinc oxide (ZnO) nanoparticles on graphene. Herein, liquid-phase exfoliated graphene in water by ultrasonic waves has been used to prepare graphene-ZnO (G-ZnO) nanocomposites that circumvent the use of various toxic acids and chemicals which are generally used in the preparation of graphene-based nanocomposites. Oxygen vacancy related defect peaks observed by Raman and photoluminescence confirm the formation of C–O–Zn bond due to the synergistic interaction of carbon and zinc via oxygen atoms in G-ZnO nanocomposites. The enhanced photocatalytic behavior of G-ZnO under visible light as evaluated using the dye Rhodamine B holds its genesis from the intrinsic oxygen defects in G-ZnO. Furthermore, graphene acts as electron sink for accumulation of charges from defect levels of ZnO, which controls recombination of charge carriers. It is envisaged that the acid-free and facile strategy can be a potential route for the preparation of graphene-based hybrid materials using liquid-phase exfoliation methodology.

  4. Photovoltaic powered ultraviolet and visible light-emitting diodes for sustainable point-of-use disinfection of drinking waters.

    Science.gov (United States)

    Lui, Gough Yumu; Roser, David; Corkish, Richard; Ashbolt, Nicholas; Jagals, Paul; Stuetz, Richard

    2014-09-15

    For many decades, populations in rural and remote developing regions will be unable to access centralised piped potable water supplies, and indeed, decentralised options may be more sustainable. Accordingly, improved household point-of-use (POU) disinfection technologies are urgently needed. Compared to alternatives, ultraviolet (UV) light disinfection is very attractive because of its efficacy against all pathogen groups and minimal operational consumables. Though mercury arc lamp technology is very efficient, it requires frequent lamp replacement, involves a toxic heavy metal, and their quartz envelopes and sleeves are expensive, fragile and require regular cleaning. An emerging alternative is semiconductor-based units where UV light emitting diodes (UV-LEDs) are powered by photovoltaics (PV). Our review charts the development of these two technologies, their current status, and challenges to their integration and POU application. It explores the themes of UV-C-LEDs, non-UV-C LED technology (e.g. UV-A, visible light, Advanced Oxidation), PV power supplies, PV/LED integration and POU suitability. While UV-C LED technology should mature in the next 10 years, research is also needed to address other unresolved barriers to in situ application as well as emerging research opportunities especially UV-A, photocatalyst/photosensitiser use and pulsed emission options. Copyright © 2014 Elsevier B.V. All rights reserved.

  5. Three dimensional indoor positioning based on visible light with Gaussian mixture sigma-point particle filter technique

    Science.gov (United States)

    Gu, Wenjun; Zhang, Weizhi; Wang, Jin; Amini Kashani, M. R.; Kavehrad, Mohsen

    2015-01-01

    Over the past decade, location based services (LBS) have found their wide applications in indoor environments, such as large shopping malls, hospitals, warehouses, airports, etc. Current technologies provide wide choices of available solutions, which include Radio-frequency identification (RFID), Ultra wideband (UWB), wireless local area network (WLAN) and Bluetooth. With the rapid development of light-emitting-diodes (LED) technology, visible light communications (VLC) also bring a practical approach to LBS. As visible light has a better immunity against multipath effect than radio waves, higher positioning accuracy is achieved. LEDs are utilized both for illumination and positioning purpose to realize relatively lower infrastructure cost. In this paper, an indoor positioning system using VLC is proposed, with LEDs as transmitters and photo diodes as receivers. The algorithm for estimation is based on received-signalstrength (RSS) information collected from photo diodes and trilateration technique. By appropriately making use of the characteristics of receiver movements and the property of trilateration, estimation on three-dimensional (3-D) coordinates is attained. Filtering technique is applied to enable tracking capability of the algorithm, and a higher accuracy is reached compare to raw estimates. Gaussian mixture Sigma-point particle filter (GM-SPPF) is proposed for this 3-D system, which introduces the notion of Gaussian Mixture Model (GMM). The number of particles in the filter is reduced by approximating the probability distribution with Gaussian components.

  6. Passivity of AISI 321 stainless steel in 0.5 M H2SO4 solution studied by Mott–Schottky analysis in conjunction with the point defect model

    Directory of Open Access Journals (Sweden)

    A. Fattah-alhosseini

    2016-11-01

    Full Text Available The passivity of AISI 321 stainless steel in 0.5 M H2SO4 solution, in the steady-state condition, has been explored using electrochemical impedance spectroscopy (EIS and Mott–Schottky analysis. Based on the Mott–Schottky analysis in conjunction with the point defect model (PDM, it was shown that the calculated donor density decreases exponentially with increasing passive film formation potential. The thickness of the passive film was increased linearly with the formation potential. These observations were consistent with the predictions of the PDM, noting that the point defects within the passive film are metal interstitials, oxygen vacancies, or both.

  7. The Effect of Eradication of Lice on the Occurrence of the Grain Defect Light Flecks and Spots on Cattle Hides

    Science.gov (United States)

    Nafstad, O; Grønstøl, H

    2001-01-01

    The influence of an eradication programme for lice on the prevalence of light flecks and spots on cattle hides was studied in 33 dairy cattle herds during a period of two and a half years. Lice were eradicated from the main group of herds after 9 to 12 months and the quality of the hides before and after treatment was compared. Hides from slaughtered animals were collected during the study period, tanned and examined with special emphasis on the occurrence of the grain damage light flecks and spots. The prevalence of hides without light flecks and spots increased from 24.2% before treatment to 61.6% after treatment. The prevalence of hides free from the damage increased significantly in all examined anatomical regions. The improvement in hide quality was most marked in the shoulders and neck region which corresponded to the major predilection site of cattle lice. The prevalence of hides with light flecks and spots started to decrease in the first period (2–40 days) after eradication. The changes after treatment suggested that most healing process took place over a period of about 4 months. The eradication programme eliminated the seasonal variation in the prevalence of light flecks and spots which was present before treatment. PMID:11455906

  8. The Effect of Eradication of Lice on the Occurrence of the Grain Defect Light Flecks and Spots on Cattle Hides

    Directory of Open Access Journals (Sweden)

    Grønstøl H

    2001-03-01

    Full Text Available The influence of an eradication programme for lice on the prevalence of light flecks and spots on cattle hides was studied in 33 dairy cattle herds during a period of two and a half years. Lice were eradicated from the main group of herds after 9 to 12 months and the quality of the hides before and after treatment was compared. Hides from slaughtered animals were collected during the study period, tanned and examined with special emphasis on the occurrence of the grain damage light flecks and spots. The prevalence of hides without light flecks and spots increased from 24.2% before treatment to 61.6% after treatment. The prevalence of hides free from the damage increased significantly in all examined anatomical regions. The improvement in hide quality was most marked in the shoulders and neck region which corresponded to the major predilection site of cattle lice. The prevalence of hides with light flecks and spots started to decrease in the first period (2–40 days after eradication. The changes after treatment suggested that most healing process took place over a period of about 4 months. The eradication programme eliminated the seasonal variation in the prevalence of light flecks and spots which was present before treatment.

  9. A new human photosensitive subject with a defect in the recovery of DNA synthesis after ultraviolet-light irradiation

    International Nuclear Information System (INIS)

    Fujiwara, Y.; Ichihashi, M.; Kano, Y.; Goto, K.; Shimizu, K.

    1981-01-01

    A non-sensitive, 8-yr-old male patient (termed UV81KO) with only acute recurrent sunburns and without any other physical or neuromental retardations was studied. The patient's skin exhibited lowered minimal erythema doses between 280 and 300 nm monochromatic wavelengths without delayed peaking of erythema. UV81KO skin fibroblasts in culture was 5-fold more sensitive to 254 nm UV killing than normal cells, though the response of obligatory heterozygotes was normal. UV81KO cells were also more sensitive to killings by fluorescent sunlamp (295-300 nm UV-B) radiation, 4-nitroquinoline-1-oxide, and N-hydroxy-acetyl aminofluorene, but not by monofunctional decarbamoyl mitomycin C, bifunctional mitomycin C, and alkylating agents (methyl methanesulfonate, ethyl methanesulfonate, N-methyl-N-nitrosourea). Assays for unscheduled DNA synthesis, T4 endonuclease V-susceptible sites (pyrimidine dimers), endogenous excision-break accumulation by arabinofuranosyl cytosine-plus-hydroxyurea, single-strand-break rejoining, and molecular-weight increase of pulse-chased DNA in irradiated cells indicated no apparently detectable defects in nucleotide-excision repair processes and in replicative bypass in UV81KO cells. Despite the repair proficiency as such, UV81KO cells showed the defective recovery of DNA synthesis after 254 nm UV irradiation with 1 and 5 J/m2, at which dose the recovery occurred in normal cells. The base line level of sister-chromatid exchanges (SCEs) was higher in UV81KO cells (10-12 SCEs/cell) than in normal cells (5 SCEs/cell), although the induction rate of SCEs by 254 nm UV in UV81KO cells was the same as in normal cells. Such clinical, cellular and molecular characteristics and comparison to those in the other photodermatoses (xeroderma pigmentosum, Cockayne's syndrome, the 11961 disorder, Bloom's syndrome) can make a clear distinction of UV81KO from the others

  10. A new human photosensitive subject with a defect in the recovery of DNA synthesis after ultraviolet-light irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Fujiwara, Y.; Ichihashi, M.; Kano, Y.; Goto, K.; Shimizu, K.

    1981-09-01

    A non-sensitive, 8-yr-old male patient (termed UV81KO) with only acute recurrent sunburns and without any other physical or neuromental retardations was studied. The patient's skin exhibited lowered minimal erythema doses between 280 and 300 nm monochromatic wavelengths without delayed peaking of erythema. UV81KO skin fibroblasts in culture was 5-fold more sensitive to 254 nm UV killing than normal cells, though the response of obligatory heterozygotes was normal. UV81KO cells were also more sensitive to killings by fluorescent sunlamp (295-300 nm UV-B) radiation, 4-nitroquinoline-1-oxide, and N-hydroxy-acetyl aminofluorene, but not by monofunctional decarbamoyl mitomycin C, bifunctional mitomycin C, and alkylating agents (methyl methanesulfonate, ethyl methanesulfonate, N-methyl-N-nitrosourea). Assays for unscheduled DNA synthesis, T4 endonuclease V-susceptible sites (pyrimidine dimers), endogenous excision-break accumulation by arabinofuranosyl cytosine-plus-hydroxyurea, single-strand-break rejoining, and molecular-weight increase of pulse-chased DNA in irradiated cells indicated no apparently detectable defects in nucleotide-excision repair processes and in replicative bypass in UV81KO cells. Despite the repair proficiency as such, UV81KO cells showed the defective recovery of DNA synthesis after 254 nm UV irradiation with 1 and 5 J/m2, at which dose the recovery occurred in normal cells. The base line level of sister-chromatid exchanges (SCEs) was higher in UV81KO cells (10-12 SCEs/cell) than in normal cells (5 SCEs/cell), although the induction rate of SCEs by 254 nm UV in UV81KO cells was the same as in normal cells. Such clinical, cellular and molecular characteristics and comparison to those in the other photodermatoses (xeroderma pigmentosum, Cockayne's syndrome, the 11961 disorder, Bloom's syndrome) can make a clear distinction of UV81KO from the others.

  11. Multi-point laser spark generation for internal combustion engines using a spatial light modulator

    International Nuclear Information System (INIS)

    Lyon, Elliott; Kuang, Zheng; Dearden, Geoff; Cheng, Hua; Page, Vincent; Shenton, Tom

    2014-01-01

    This paper reports on a technique demonstrating for the first time successful multi-point laser-induced spark generation, which is variable in three dimensions and derived from a single laser beam. Previous work on laser ignition of internal combustion engines found that simultaneously igniting in more than one location resulted in more stable and faster combustion – a key potential advantage over conventional spark ignition. However, previous approaches could only generate secondary foci at fixed locations. The work reported here is an experimental technique for multi-point laser ignition, in which several sparks with arbitrary spatial location in three dimensions are created by variable diffraction of a pulsed single laser beam source and transmission through an optical plug. The diffractive multi-beam arrays and patterns are generated using a spatial light modulator on which computer generated holograms are displayed. A gratings and lenses algorithm is used to accurately modulate the phase of the input laser beam and create multi-beam output. The underpinning theory, experimental arrangement and results obtained are presented and discussed. (paper)

  12. Defect production in ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Zinkle, S.J. [Oak Ridge National Lab., TN (United States); Kinoshita, C. [Kyushu Univ. (Japan)

    1997-08-01

    A review is given of several important defect production and accumulation parameters for irradiated ceramics. Materials covered in this review include alumina, magnesia, spinel silicon carbide, silicon nitride, aluminum nitride and diamond. Whereas threshold displacement energies for many ceramics are known within a reasonable level of uncertainty (with notable exceptions being AIN and Si{sub 3}N{sub 4}), relatively little information exists on the equally important parameters of surviving defect fraction (defect production efficiency) and point defect migration energies for most ceramics. Very little fundamental displacement damage information is available for nitride ceramics. The role of subthreshold irradiation on defect migration and microstructural evolution is also briefly discussed.

  13. Efficiency enhancement of blue light emitting diodes by eliminating V-defects from InGaN/GaN multiple quantum well structures through GaN capping layer control

    Science.gov (United States)

    Tsai, Sheng-Chieh; Li, Ming-Jui; Fang, Hsin-Chiao; Tu, Chia-Hao; Liu, Chuan-Pu

    2018-05-01

    A facile method for fabricating blue light-emitting diodes (B-LEDs) with small embedded quantum dots (QDs) and enhanced light emission is demonstrated by tuning the temperature of the growing GaN capping layer to eliminate V-defects. As the growth temperature increases from 770 °C to 840 °C, not only does the density of the V-defects reduce from 4.12 ∗ 108 #/cm2 nm to zero on a smooth surface, but the QDs also get smaller. Therefore, the growth mechanism of smaller QDs assisted by elimination of V-defects is discussed. Photoluminescence and electroluminescence results show that smaller embedded QDs can improve recombination efficiency, and thus achieve higher peak intensity with smaller peak broadening. Accordingly, the external quantum efficiency of the B-LEDs with smaller QDs is enhanced, leading to a 6.8% increase in light output power in lamp-form package LEDs.

  14. Defect-Free Large-Area (25 cm2 Light Absorbing Perovskite Thin Films Made by Spray Coating

    Directory of Open Access Journals (Sweden)

    Mehran Habibi

    2017-03-01

    Full Text Available In this work, we report on reproducible fabrication of defect-free large-area mixed halide perovskite (CH3NH3PbI3−xClx thin films by scalable spray coating with the area of 25 cm2. This is essential for the commercialization of the perovskite solar cell technology. Using an automated spray coater, the film thickness and roughness were optimized by controlling the solution concentration and substrate temperature. For the first time, the surface tension, contact angle, and viscosity of mixed halide perovskite dissolved in dimethylformamide (DMF are reported as a function of the solution concentration. A low perovskite solution concentration of 10% was selected as an acceptable value to avoid crystallization dewetting. The determined optimum substrate temperature of 150 °C, followed by annealing at 100 °C render the highest perovskite precursor conversion, as well as the highest possible droplet spreading, desired to achieve a continuous thin film. The number of spray passes was also tuned to achieve a fully-covered film, for the condition of the spray nozzle used in this work. This work demonstrates that applying the optimum substrate temperature decreases the standard deviation of the film thickness and roughness, leading to an increase in the quality and reproducibility of the large-area spray-on films. The optimum perovskite solution concentration and the substrate temperature are universally applicable to other spray coating systems.

  15. Light

    CERN Document Server

    Robertson, William C

    2003-01-01

    Why is left right and right left in the mirror? Baffled by the basics of reflection and refraction? Wondering just how the eye works? If you have trouble teaching concepts about light that you don t fully grasp yourself, get help from a book that s both scientifically accurate and entertaining with Light. By combining clear explanations, clever drawings, and activities that use easy-to-find materials, this book covers what science teachers and parents need to know to teach about light with confidence. It uses ray, wave, and particle models of light to explain the basics of reflection and refraction, optical instruments, polarization of light, and interference and diffraction. There s also an entire chapter on how the eye works. Each chapter ends with a Summary and Applications section that reinforces concepts with everyday examples. Whether you need a deeper understanding of how light bends or a good explanation of why the sky is blue, you ll find Light more illuminating and accessible than a college textbook...

  16. Confidence in emotion perception in point-light displays varies with the ability to perceive own emotions.

    Directory of Open Access Journals (Sweden)

    Britta Lorey

    Full Text Available One central issue in social cognitive neuroscience is that perceiving emotions in others relates to activating the same emotion in oneself. In this study we sought to examine how the ability to perceive own emotions assessed with the Toronto Alexithymia Scale related to both the ability to perceive emotions depicted in point-light displays and the confidence in these perceptions. Participants observed video scenes of human interactions, rated the depicted valence, and judged their confidence in this rating. Results showed that people with higher alexithymia scores were significantly less confident about their decisions, but did not differ from people with lower alexithymia scores in the valence of their ratings. Furthermore, no modulating effect of social context on the effect of higher alexithymia scores was found. It is concluded that the used stimuli are fit to investigate the kinematic aspect of emotion perception and possibly separate people with high and low alexithymia scores via confidence differences. However, a general difference in emotion perception was not detected in the present setting.

  17. Confidence in emotion perception in point-light displays varies with the ability to perceive own emotions.

    Science.gov (United States)

    Lorey, Britta; Kaletsch, Morten; Pilgramm, Sebastian; Bischoff, Matthias; Kindermann, Stefan; Sauerbier, Isabell; Stark, Rudolf; Zentgraf, Karen; Munzert, Jörn

    2012-01-01

    One central issue in social cognitive neuroscience is that perceiving emotions in others relates to activating the same emotion in oneself. In this study we sought to examine how the ability to perceive own emotions assessed with the Toronto Alexithymia Scale related to both the ability to perceive emotions depicted in point-light displays and the confidence in these perceptions. Participants observed video scenes of human interactions, rated the depicted valence, and judged their confidence in this rating. Results showed that people with higher alexithymia scores were significantly less confident about their decisions, but did not differ from people with lower alexithymia scores in the valence of their ratings. Furthermore, no modulating effect of social context on the effect of higher alexithymia scores was found. It is concluded that the used stimuli are fit to investigate the kinematic aspect of emotion perception and possibly separate people with high and low alexithymia scores via confidence differences. However, a general difference in emotion perception was not detected in the present setting.

  18. Observation of Point-Light-Walker Locomotion Induces Motor Resonance When Explicitly Represented; An EEG Source Analysis Study

    Directory of Open Access Journals (Sweden)

    Alberto Inuggi

    2018-03-01

    Full Text Available Understanding human motion, to infer the goal of others' actions, is thought to involve the observer's motor repertoire. One prominent class of actions, the human locomotion, has been object of several studies, all focused on manipulating the shape of degraded human figures like point-light walker (PLW stimuli, represented as walking on the spot. Nevertheless, since the main goal of the locomotor function is to displace the whole body from one position to the other, these stimuli might not fully represent a goal-directed action and thus might not be able to induce the same motor resonance mechanism expected when observing a natural locomotion. To explore this hypothesis, we recorded the event-related potentials (ERP of canonical/scrambled and translating/centered PLWs decoding. We individuated a novel ERP component (N2c over central electrodes, around 435 ms after stimulus onset, for translating compared to centered PLW, only when the canonical shape was preserved. Consistently with our hypothesis, sources analysis associated this component to the activation of trunk and lower legs primary sensory-motor and supplementary motor areas. These results confirm the role of own motor repertoire in processing human action and suggest that ERP can detect the associated motor resonance only when the human figure is explicitly involved in performing a meaningful action.

  19. Exploring atomic defects in molybdenum disulphide monolayers

    KAUST Repository

    Hong, Jinhua; Hu, Zhixin; Probert, Matt; Li, Kun; Lv, Danhui; Yang, Xinan; Gu, Lin; Mao, Nannan; Feng, Qingliang; Xie, Liming; Zhang, Jin; Wu, Dianzhong; Zhang, Zhiyong; Jin, Chuanhong; Ji, Wei; Zhang, Xixiang; Yuan, Jun; Zhang, Ze

    2015-01-01

    Defects usually play an important role in tailoring various properties of two-dimensional materials. Defects in two-dimensional monolayer molybdenum disulphide may be responsible for large variation of electric and optical properties. Here we present a comprehensive joint experiment-theory investigation of point defects in monolayer molybdenum disulphide prepared by mechanical exfoliation, physical and chemical vapour deposition. Defect species are systematically identified and their concentrations determined by aberration-corrected scanning transmission electron microscopy, and also studied by ab-initio calculation. Defect density up to 3.5 × 10 13 cm '2 is found and the dominant category of defects changes from sulphur vacancy in mechanical exfoliation and chemical vapour deposition samples to molybdenum antisite in physical vapour deposition samples. Influence of defects on electronic structure and charge-carrier mobility are predicted by calculation and observed by electric transport measurement. In light of these results, the growth of ultra-high-quality monolayer molybdenum disulphide appears a primary task for the community pursuing high-performance electronic devices.

  20. Exploring atomic defects in molybdenum disulphide monolayers

    KAUST Repository

    Hong, Jinhua

    2015-02-19

    Defects usually play an important role in tailoring various properties of two-dimensional materials. Defects in two-dimensional monolayer molybdenum disulphide may be responsible for large variation of electric and optical properties. Here we present a comprehensive joint experiment-theory investigation of point defects in monolayer molybdenum disulphide prepared by mechanical exfoliation, physical and chemical vapour deposition. Defect species are systematically identified and their concentrations determined by aberration-corrected scanning transmission electron microscopy, and also studied by ab-initio calculation. Defect density up to 3.5 × 10 13 cm \\'2 is found and the dominant category of defects changes from sulphur vacancy in mechanical exfoliation and chemical vapour deposition samples to molybdenum antisite in physical vapour deposition samples. Influence of defects on electronic structure and charge-carrier mobility are predicted by calculation and observed by electric transport measurement. In light of these results, the growth of ultra-high-quality monolayer molybdenum disulphide appears a primary task for the community pursuing high-performance electronic devices.

  1. Defect induced visible-light-activated near-infrared emissions in Gd3-x-y-zYbxBiyErzGa5O12

    Science.gov (United States)

    Tong, Liping; Saito, Katsuhiko; Guo, Qixin; Zhou, Han; Fan, Tongxiang; Zhang, Di

    2017-11-01

    Visible-light-activated near-infrared luminescent materials are promising photoluminescent materials due to their convenience and low cost. Crystal defects can seriously affect the performance of luminescent materials, and better understanding of the complexity of the structural disorder and electronic structures of such materials opens up new possibilities in luminescent material development. In this work, we successfully design a novel, effective, visible-light-activated near-infrared luminescent Gd3Ga5O12: 4.2%Yb3+, 8.4%Er3+, and 4.2%Bi3+ system based on first principles. This exhibits strong emission intensity and high luminous efficiency (0.993) and also has a lifetime (7.002 ms) that is at least twice as long as the longest lifetime reported in published papers. We utilize density functional theory with an effective LSDA + U method to study the structural properties of Gd3-x-y-zGa5O12: xYb3+, yBi3+, zEr3+ (GGG: Yb3+, Bi3+, Er3+). The d and f electron orbits of rare-earth ions are considered for an effective Hund exchange. Detailed analysis reveals that GGG: 4.2%Yb3+, 8.4%Er3+, 4.2%Bi3+ has the smallest cell volume because of the strong covalent bonds of Bi-O, Er-O, and Yb-O. Bi 3d is a hybridized state that acts as sensitizing ions during the process of luminescence in GGG: Yb3+, Bi3+, Er3+. Together with experimental and theoretical results, we analyze the influence of defects on emission intensity. The locations of Yb3+, Er3+, and Bi3+ are determined by X-ray absorption fine structure measurements, which are in agreement with the model constructed using first principles. This work may provide innovative guidance for the design of high-performance visible-light-activated near-infrared luminophores based on calculations and a new methodology for application of coherent laser radar and optical communication.

  2. Impact of Mg content on native point defects in Mg{sub x}Zn{sub 1−x}O (0 ≤ x ≤ 0.56)

    Energy Technology Data Exchange (ETDEWEB)

    Perkins, J.; Foster, G. M. [Department of Physics, The Ohio State University, 191 West Woodruff Ave., Columbus, Ohio 43210 (United States); Myer, M.; Mehra, S. [Columbus School for Girls, 56 S. Columbia Ave., Columbus, Ohio 43209 (United States); Chauveau, J. M. [Centre de Recherche sur l’Hetero-Epitaxie et ses Applications, Centre National de la Recherche Scientifique (CRHEA-CNRS), Rue B. Gregory, F-06560 Valbonne Sophia Antipolis (France); University of Nice Sophia Antipolis, Parc Valrose, F-06102 Nice Cedex 2 (France); Hierro, A. [Dpto. Ingeniería Electrónica and ISOM, Universidad Politécnica de Madrid, Ciudad Universitaria s/n, 28040 Madrid (Spain); Redondo-Cubero, A. [Dpto. Física Aplicada y Centro de Micro-Análisis de Materiales, Universidad Autónoma de Madrid, 28049 Madrid (Spain); Windl, W. [Department of Materials Science and Engineering, The Ohio State University, 2041 College Road N., Columbus, Ohio 43210 (United States); Brillson, L. J., E-mail: brillson.1@osu.edu [Department of Physics, The Ohio State University, 191 West Woodruff Ave., Columbus, Ohio 43210 (United States); Department of Electrical and Computer Engineering, The Ohio State University, 2015 Neil Avenue, Columbus, Ohio 43210-1272 (United States); Center for Materials Research, The Ohio State University, Columbus, Ohio 43210 (United States)

    2015-06-01

    We used depth-resolved cathodoluminescence spectroscopy and surface photovoltage spectroscopy to measure the densities, energy levels, and spatial distributions of zinc/magnesium cation and oxygen vacancies in isostructural, single-phase, non-polar Mg{sub x}Zn{sub 1−x}O alloys over a wide (0 ≤ x ≤ 0.56) range. Within this wide range, both defect types exhibit strong Mg content-dependent surface segregation and pronounced bulk density minima corresponding to unit cell volume minima, which can inhibit defect formation due to electrostatic repulsion. Mg in ZnO significantly reduces native defect densities and their non-polar surface segregation, both major factors in carrier transport and doping of these oxide semiconductors.

  3. Impact of Mg content on native point defects in MgxZn1−xO (0 ≤ x ≤ 0.56

    Directory of Open Access Journals (Sweden)

    J. Perkins

    2015-06-01

    Full Text Available We used depth-resolved cathodoluminescence spectroscopy and surface photovoltage spectroscopy to measure the densities, energy levels, and spatial distributions of zinc/magnesium cation and oxygen vacancies in isostructural, single-phase, non-polar MgxZn1−xO alloys over a wide (0 ≤ x ≤ 0.56 range. Within this wide range, both defect types exhibit strong Mg content-dependent surface segregation and pronounced bulk density minima corresponding to unit cell volume minima, which can inhibit defect formation due to electrostatic repulsion. Mg in ZnO significantly reduces native defect densities and their non-polar surface segregation, both major factors in carrier transport and doping of these oxide semiconductors.

  4. Light

    CERN Document Server

    Ditchburn, R W

    1963-01-01

    This classic study, available for the first time in paperback, clearly demonstrates how quantum theory is a natural development of wave theory, and how these two theories, once thought to be irreconcilable, together comprise a single valid theory of light. Aimed at students with an intermediate-level knowledge of physics, the book first offers a historical introduction to the subject, then covers topics such as wave theory, interference, diffraction, Huygens' Principle, Fermat's Principle, and the accuracy of optical measurements. Additional topics include the velocity of light, relativistic o

  5. Point-defect interactions in electron-irradiated titanomagnetites—as analysed by magnetic after-effect spectroscopy on annealing within 80 K

    NARCIS (Netherlands)

    Walz, F.; Brabers, V.A.M.; Kronmüller, H.

    2010-01-01

    During high-temperature growing of titanomagnetite single crystals (Fe2.8-¿Ti0.2O4, ¿ <0.005) in oxygen enriched atmospheres, specific Ti4+- and vacancy-based defect configurations are induced, giving rise to magnetic after-effect (MAE) spectra with peaks near 450, 200 and 65 K. The atomistic

  6. Hurricane Andrew causes major oil spill at Florida Power ampersand Light Company's Turkey Point Power Plant, Homestead, Florida

    International Nuclear Information System (INIS)

    Jones, M.A.; Butts, R.L.; Lindsay, J.R.; McCully, B.S.; Pickering, T.H.

    1993-01-01

    On August 24, 1992, Hurricane Andrew slammed into South Florida with wind gusts in excess of 160 mph. At 4:00 a.m. that day, the eye of this category four storm passed over Florida Power ampersand Light Company's Turkey Point power plant, south of Miami. Although the plant's two nuclear units escaped any significant damage, the storm caused extensive destruction to buildings and transmission facilities, and damaged two 400 foot tall emission stacks associated with the site's two fossil fuel generating units. In addition, a 90,000 to 110,000 gallon spill of No. 6 fuel oil resulted when a piece of wind-blown debris punctured the steel of the unit One 12,000 barrel fuel oil metering tank approximately 30 feet up from the tank bottom. Despite the presence of a secondary containment structure around the tank, the intense wind blew oil throughout the plant site. The damage to the metering tank apparently occurred during the first half hour of the hurricane. As the tank's oil level fell due to the puncture, transfer pumps from the bulk oil storage tanks received a low level alarm which automatically began transferring oil to the damaged metering tank. To prevent the further discharge of oil, plant personnel entered the power block and secured the pumps during the passage of the hurricane eye. Immediately following the storm, facility personnel deployed booms across the barge canal and the Units 1 and 2 intake canal to contain the oil which had entered the water. The response strategy and implementation is described in detail. The remediation costs were approximately $14/gallon spilled, including 54,000 gallons recovered for electricity generation

  7. Reorientational dynamics in molecular liquids as revealed by dynamic light scattering: from boiling point to glass transition temperature.

    Science.gov (United States)

    Schmidtke, B; Petzold, N; Kahlau, R; Rössler, E A

    2013-08-28

    We determine the reorientational correlation time τ of a series of molecular liquids by performing depolarized light scattering experiments (double monochromator, Fabry-Perot interferometry, and photon correlation spectroscopy). Correlation times in the range 10(-12) s-100 s are compiled, i.e., the full temperature interval between the boiling point and the glass transition temperature T(g) is covered. We focus on low-T(g) liquids for which the high-temperature limit τ ≅ 10(-12) s is easily accessed by standard spectroscopic equipment (up to 440 K). Regarding the temperature dependence three interpolation formulae of τ(T) with three parameters each are tested: (i) Vogel-Fulcher-Tammann equation, (ii) the approach recently discussed by Mauro et al. [Proc. Natl. Acad. Sci. U.S.A. 106, 19780 (2009)], and (iii) our approach decomposing the activation energy E(T) in a constant high temperature value E∞ and a "cooperative part" E(coop)(T) depending exponentially on temperature [Schmidtke et al., Phys. Rev. E 86, 041507 (2012)]. On the basis of the present data, approaches (i) and (ii) are insufficient as they do not provide the correct crossover to the high-temperature Arrhenius law clearly identified in the experimental data while approach (iii) reproduces the salient features of τ(T). It allows to discuss the temperature dependence of the liquid's dynamics in terms of a E(coop)(T)/E∞ vs. T/E∞ plot and suggests that E∞ controls the energy scale of the glass transition phenomenon.

  8. Defects in semiconductors

    CERN Document Server

    Romano, Lucia; Jagadish, Chennupati

    2015-01-01

    This volume, number 91 in the Semiconductor and Semimetals series, focuses on defects in semiconductors. Defects in semiconductors help to explain several phenomena, from diffusion to getter, and to draw theories on materials' behavior in response to electrical or mechanical fields. The volume includes chapters focusing specifically on electron and proton irradiation of silicon, point defects in zinc oxide and gallium nitride, ion implantation defects and shallow junctions in silicon and germanium, and much more. It will help support students and scientists in their experimental and theoret

  9. Birth Defects

    Science.gov (United States)

    A birth defect is a problem that happens while a baby is developing in the mother's body. Most birth defects happen during the first 3 months of ... in the United States is born with a birth defect. A birth defect may affect how the ...

  10. Measurement of the Four-Point Susceptibility of an Out-of-Equilibrium Colloidal Solution of Nanoparticles Using Time-Resolved Light Scattering

    DEFF Research Database (Denmark)

    Maggi, Claudio; Di Leonardo, Ricardo; ruocco, giancarlo

    2012-01-01

    The spatial fluctuations of the dynamics of a colloidal system composed of nanoparticles are probed by a novel experimental setup, which combines homodyne and heterodyne dynamic light scattering focused onto a micron-sized volume via a microscope objective. The technique is used to measure the four-point...

  11. Analogies between the Torque-Free Motion of a Rigid Body about a Fixed Point and Light Propagation in Anisotropic Media

    Science.gov (United States)

    Bellver-Cebreros, Consuelo; Rodriguez-Danta, Marcelo

    2009-01-01

    An apparently unnoticed analogy between the torque-free motion of a rotating rigid body about a fixed point and the propagation of light in anisotropic media is stated. First, a new plane construction for visualizing this torque-free motion is proposed. This method uses an intrinsic representation alternative to angular momentum and independent of…

  12. Prévision de l'épaisseur du film passif d'un acier inoxydable 316L soumis au fretting corrosion grâce au Point Defect Model, PDM Predicting the steady state thickness of passive films with the Point Defect Model in fretting corrosion experiments

    Directory of Open Access Journals (Sweden)

    Geringer Jean

    2013-11-01

    Full Text Available Les implants orthopédiques de hanche ont une durée de vie d'environ 15 ans. Par exemple, la tige fémorale d'un tel implant peut être réalisée en acier inoxydable 316L ou 316LN. Le fretting corrosion, frottement sous petits déplacements, peut se produire pendant la marche humaine en raison des chargements répétés entre le métal de la prothèse et l'os. Plusieurs investigations expérimentales du fretting corrosion ont été entreprises. Cette couche passive de quelques nanomètres, à température ambiante, est le point clef sur lequel repose le développement de notre civilisation, selon certains auteurs. Ce travail vise à prédire les épaisseurs de cette couche passive de l'acier inoxydable soumis au fretting corrosion, avec une attention spécifique sur le rôle des protéines. Le modèle utilisé est basé sur le Point Defect Model, PDM (à une échelle microscopique et une amélioration de ce modèle en prenant en compte le processus de frottement sous petits débattements. L'algorithme génétique a été utilisé pour optimiser la convergence du problème. Les résultats les plus importants sont, comme démontré avec les essais expérimentaux, que l'albumine, la protéine étudiée, empêche les dégradations de l'acier inoxydable aux plus faibles concentrations d'ions chlorure ; ensuite, aux plus fortes concentrations de chlorures, un temps d'incubation est nécessaire pour détruire le film passif. Some implants have approximately a lifetime of 15 years. The femoral stem, for example, should be made of 316L/316LN stainless steel. Fretting corrosion, friction under small displacements, should occur during human gait, due to repeated loadings and un-loadings, between stainless steel and bone for instance. Some experimental investigations of fretting corrosion have been practiced. As well known, metallic alloys and especially stainless steels are covered with a passive film that prevents from the corrosion and degradation

  13. Optical investigation of microscopic defect distribution in semi-polar (1-101 and 11-22) InGaN light-emitting diodes

    Science.gov (United States)

    Hafiz, Shopan; Andrade, Nicolas; Monavarian, Morteza; Izyumskaya, Natalia; Das, Saikat; Zhang, Fan; Avrutin, Vitaliy; Morkoç, Hadis; Özgür, Ümit

    2016-02-01

    Near-field scanning optical microscopy was applied to investigate the spatial variations of extended defects and their effects on the optical quality for semi-polar (1-101) and (11-22) InGaN light emitting diodes (LEDs). (1-101) and (11-22) oriented InGaN LEDs emitting at 450-470 nm were grown on patterned Si (001) 7° offcut substrates and m-sapphire substrates by means of nano-epitaxial lateral overgrowth (ELO), respectively. For (1-101) structures, the photoluminescence (PL) at 85 K from the near surface c+ wings was found to be relatively uniform and strong across the sample. However, emission from the c- wings was substantially weaker due to the presence of high density of threading dislocations (TDs) and basal plane stacking faults (BSFs) as revealed from the local PL spectra. In case of (11-22) LED structures, near-field PL intensity correlated with the surface features and the striations along the direction parallel to the c-axis projection exposed facets where the Indium content was higher as deduced from shift in the PL peak energy.

  14. Point defects as a test ground for the local density approximation +U theory: Mn, Fe, and V{sub Ga} in GaN

    Energy Technology Data Exchange (ETDEWEB)

    Volnianska, O.; Zakrzewski, T. [Institute of Physics PAS, 02-668 Warsaw (Poland); Boguslawski, P. [Institute of Physics PAS, 02-668 Warsaw (Poland); Institute of Physics, Kazimierz Wielki University, 85-072 Bydgoszcz (Poland)

    2014-09-21

    Electronic structure of the Mn and Fe ions and of the gallium vacancy V{sub Ga} in GaN was analysed within the GGA + U approach. First, the +U term was treated as a free parameter, and applied to p(N), d(Mn), and d(Fe). The band gap of GaN is reproduced for U(N) ≈ 4 eV. The electronic structure of defect states was found to be more sensitive to the value of U than that of the bulk states. Both the magnitude and the sign of the U-induced energy shifts of levels depend on occupancies, and thus on the defect charge state. The energy shifts also depend on the hybridization between defect and host states, and thus are different for different level symmetries. In the case of V{sub Ga}, these effects lead to stabilization of spin polarization and the “negative-U{sub eff}” behavior. The values of Us were also calculated using the linear response approach, which gives U(Fe) ≈ U(Mn) ≈ 4 eV. This reproduces well the results of previous hybrid functionals calculations. However, the best agreement with the experimental data is obtained for vanishing or even negative U(Fe) and U(Mn)

  15. Defect Characterization of Pyroelectric Materials

    National Research Council Canada - National Science Library

    Keeble, David

    2002-01-01

    Two methods for identify point defects applicable to the study of technologically relevant pyroelectric oxide materials have been investigated, namely Positron Annihilation Lifetime Spectroscopy (PALS...

  16. Congenital Heart Defects and CCHD

    Science.gov (United States)

    ... and more. Stony Point, NY 10980 Close X Home > Complications & Loss > Birth defects & other health conditions > Congenital heart defects and ... in congenital heart defects. You have a family history of congenital heart ... syndrome or VCF. After birth Your baby may be tested for CCHD as ...

  17. Cell-cycle kinetics and ultraviolet light survival in UV-1, a Chinese hamster ovary cell mutant defective in post-replication recovery

    International Nuclear Information System (INIS)

    Collins, A.

    1982-01-01

    UV-I, an ultraviolet-sensitive mutant of CHO-KI, is abnormally slow to recover from the inhibition of DNA synthesis caused by u.v. irradiation. When synchronized UV-I cells are irradiated in G 1 , their movement into S phase is unaltered, but thymidine incorporation is depressed. When irradiated in S phase, again incorporation is more depressed, and S phase suffers a greater delay in UV-I than in the parent cell. UV-I and its parent have similar capacities for excision repair of u.v.-induced damage inflicted in G 1 , and so enter S phase with similar amounts of unrepaired damage. The single-cell survival was measured after irradiation at different points in the cell cycle. The mutant and parent cells have similar values of D 0 (mean lethal dose) except in mitosis, when the parent cell shows markedly greater resistance to u.v. irradiation. Dsub(q) (quasi-threshold dose) is fairly constant for the parent cell, but in UV-I it falls to a minimum in S phase. The responses of UV-I to u.v. irradiation are generally consistent with its known defect in post-replication recovery, i.e. the ability to join up the abnormally small DNA fragments synthesized on a u.v.-damaged template. (author)

  18. Formation of topological defects

    International Nuclear Information System (INIS)

    Vachaspati, T.

    1991-01-01

    We consider the formation of point and line topological defects (monopoles and strings) from a general point of view by allowing the probability of formation of a defect to vary. To investigate the statistical properties of the defects at formation we give qualitative arguments that are independent of any particular model in which such defects occur. These arguments are substantiated by numerical results in the case of strings and for monopoles in two dimensions. We find that the network of strings at formation undergoes a transition at a certain critical density below which there are no infinite strings and the closed-string (loop) distribution is exponentially suppressed at large lengths. The results are contrasted with the results of statistical arguments applied to a box of strings in dynamical equilibrium. We argue that if point defects were to form with smaller probability, the distance between monopoles and antimonopoles would decrease while the monopole-to-monopole distance would increase. We find that monopoles are always paired with antimonopoles but the pairing becomes clean only when the number density of defects is small. A similar reasoning would also apply to other defects

  19. First-principles investigation of neutron-irradiation-induced point defects in B4C, a neutron absorber for sodium-cooled fast nuclear reactors

    Science.gov (United States)

    You, Yan; Yoshida, Katsumi; Yano, Toyohiko

    2018-05-01

    Boron carbide (B4C) is a leading candidate neutron absorber material for sodium-cooled fast nuclear reactors owing to its excellent neutron-capture capability. The formation and migration energies of the neutron-irradiation-induced defects, including vacancies, neutron-capture reaction products, and knocked-out atoms were studied by density functional theory calculations. The vacancy-type defects tend to migrate to the C–B–C chains of B4C, which indicates that the icosahedral cage structures of B4C have strong resistance to neutron irradiation. We found that lithium and helium atoms had significantly lower migration barriers along the rhombohedral (111) plane of B4C than perpendicular to this plane. This implies that the helium and lithium interstitials tended to follow a two-dimensional diffusion regime in B4C at low temperatures which explains the formation of flat disk like helium bubbles experimentally observed in B4C pellets after neutron irradiation. The knocked-out atoms are considered to be annihilated by the recombination of the close pairs of self-interstitials and vacancies.

  20. Local order dynamics: its application to the study of atomic mobility, of point defects in crystalline alloys, and of structural relaxation in amorphous alloys

    International Nuclear Information System (INIS)

    Balanzat, Emmanuel

    1983-01-01

    This research thesis addressed the study of the atomic mobility mechanism and of the atom movement dynamics in the case of crystalline alloys and of amorphous alloys. The first part is based on a previous study performed on an α-Cu 70 -Zn 30 crystalline alloy, and addresses the case of an α-Au 70 -Ni 30 alloy. The specificity of this case relies in the fact that the considered solid solution is metastable and susceptible to de-mixing in the considered temperature range. This case of off-equilibrium crystalline alloy is at the crossroad between steady crystalline alloys and metallic glasses which are studied in the second part. The third part addresses the irradiation of metallic amorphous alloys by fast particles (neutrons or electrons). The author tried to characterise atomic defects induced by irradiation and to compare them with pre-existing ones. He studied how these defects may change atomic mobility, and, more generally, to which extent the impact of energetic particles could modify local order status

  1. Defect modelling

    International Nuclear Information System (INIS)

    Norgett, M.J.

    1980-01-01

    Calculations, drawing principally on developments at AERE Harwell, of the relaxation about lattice defects are reviewed with emphasis on the techniques required for such calculations. The principles of defect modelling are outlined and various programs developed for defect simulations are discussed. Particular calculations for metals, ionic crystals and oxides, are considered. (UK)

  2. Accumulation patterns of proper point defects in thermo-regulating coatings based on ZnO for space vehicles under electron irradiation

    International Nuclear Information System (INIS)

    Mikhajlov, M.M.; Sharafutdinova, V.V.

    1998-01-01

    The expansion of the band of the induced absorption of zinc oxide powders and thermo-regulating coatings based on ZnO for space vehicles is carried out after the 30 keV electron irradiation. Singularities of the growth of the intensity of individual components as a function of the accelerated electron flow are studied. It is found that power and exponential dependences with one or two components are characteristic for different color centers and different thermo-regulating coatings. The kinetics of the accumulation of free electrons is characterized by the maximum value of the electron flows at which the generation of color centers on pre-radiation defects is realized by the radiolysis of the pigment lattice

  3. Linear-scaling density-functional simulations of charged point defects in Al2O3 using hierarchical sparse matrix algebra.

    Science.gov (United States)

    Hine, N D M; Haynes, P D; Mostofi, A A; Payne, M C

    2010-09-21

    We present calculations of formation energies of defects in an ionic solid (Al(2)O(3)) extrapolated to the dilute limit, corresponding to a simulation cell of infinite size. The large-scale calculations required for this extrapolation are enabled by developments in the approach to parallel sparse matrix algebra operations, which are central to linear-scaling density-functional theory calculations. The computational cost of manipulating sparse matrices, whose sizes are determined by the large number of basis functions present, is greatly improved with this new approach. We present details of the sparse algebra scheme implemented in the ONETEP code using hierarchical sparsity patterns, and demonstrate its use in calculations on a wide range of systems, involving thousands of atoms on hundreds to thousands of parallel processes.

  4. Cortical fMRI activation to opponents' body kinematics in sport-related anticipation: expert-novice differences with normal and point-light video.

    Science.gov (United States)

    Wright, M J; Bishop, D T; Jackson, R C; Abernethy, B

    2011-08-18

    Badminton players of varying skill levels viewed normal and point-light video clips of opponents striking the shuttle towards the viewer; their task was to predict in which quadrant of the court the shuttle would land. In a whole-brain fMRI analysis we identified bilateral cortical networks sensitive to the anticipation task relative to control stimuli. This network is more extensive and localised than previously reported. Voxel clusters responding more strongly in experts than novices were associated with all task-sensitive areas, whereas voxels responding more strongly in novices were found outside these areas. Task-sensitive areas for normal and point-light video were very similar, whereas early visual areas responded differentially, indicating the primacy of kinematic information for sport-related anticipation. Copyright © 2011 Elsevier Ireland Ltd. All rights reserved.

  5. Tilted light sheet microscopy with 3D point spread functions for single-molecule super-resolution imaging in mammalian cells

    Science.gov (United States)

    Gustavsson, Anna-Karin; Petrov, Petar N.; Lee, Maurice Y.; Shechtman, Yoav; Moerner, W. E.

    2018-02-01

    To obtain a complete picture of subcellular nanostructures, cells must be imaged with high resolution in all three dimensions (3D). Here, we present tilted light sheet microscopy with 3D point spread functions (TILT3D), an imaging platform that combines a novel, tilted light sheet illumination strategy with engineered long axial range point spread functions (PSFs) for low-background, 3D super localization of single molecules as well as 3D super-resolution imaging in thick cells. TILT3D is built upon a standard inverted microscope and has minimal custom parts. The axial positions of the single molecules are encoded in the shape of the PSF rather than in the position or thickness of the light sheet, and the light sheet can therefore be formed using simple optics. The result is flexible and user-friendly 3D super-resolution imaging with tens of nm localization precision throughout thick mammalian cells. We validated TILT3D for 3D superresolution imaging in mammalian cells by imaging mitochondria and the full nuclear lamina using the double-helix PSF for single-molecule detection and the recently developed Tetrapod PSF for fiducial bead tracking and live axial drift correction. We envision TILT3D to become an important tool not only for 3D super-resolution imaging, but also for live whole-cell single-particle and single-molecule tracking.

  6. Tilted Light Sheet Microscopy with 3D Point Spread Functions for Single-Molecule Super-Resolution Imaging in Mammalian Cells.

    Science.gov (United States)

    Gustavsson, Anna-Karin; Petrov, Petar N; Lee, Maurice Y; Shechtman, Yoav; Moerner, W E

    2018-02-01

    To obtain a complete picture of subcellular nanostructures, cells must be imaged with high resolution in all three dimensions (3D). Here, we present tilted light sheet microscopy with 3D point spread functions (TILT3D), an imaging platform that combines a novel, tilted light sheet illumination strategy with engineered long axial range point spread functions (PSFs) for low-background, 3D super localization of single molecules as well as 3D super-resolution imaging in thick cells. TILT3D is built upon a standard inverted microscope and has minimal custom parts. The axial positions of the single molecules are encoded in the shape of the PSF rather than in the position or thickness of the light sheet, and the light sheet can therefore be formed using simple optics. The result is flexible and user-friendly 3D super-resolution imaging with tens of nm localization precision throughout thick mammalian cells. We validated TILT3D for 3D super-resolution imaging in mammalian cells by imaging mitochondria and the full nuclear lamina using the double-helix PSF for single-molecule detection and the recently developed Tetrapod PSF for fiducial bead tracking and live axial drift correction. We envision TILT3D to become an important tool not only for 3D super-resolution imaging, but also for live whole-cell single-particle and single-molecule tracking.

  7. First principles calculations of point defect diffusion in CdS buffer layers: Implications for Cu(In,Ga)(Se,S){sub 2} and Cu{sub 2}ZnSn(Se,S){sub 4}-based thin-film photovoltaics

    Energy Technology Data Exchange (ETDEWEB)

    Varley, J. B.; Lordi, V. [Lawrence Livermore National Laboratory, Livermore, California 94550 (United States); He, X.; Rockett, A. [Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801 (United States)

    2016-01-14

    We investigate point defects in CdS buffer layers that may arise from intermixing with Cu(In,Ga)Se{sub 2} (CIGSe) or Cu{sub 2}ZnSn(S,Se){sub 4} (CZTSSe) absorber layers in thin-film photovoltaics (PV). Using hybrid functional calculations, we characterize the migration barriers of Cu, In, Ga, Se, Sn, Zn, Na, and K impurities and assess the activation energies necessary for their diffusion into the bulk of the buffer. We find that Cu, In, and Ga are the most mobile defects in CIGS-derived impurities, with diffusion expected to proceed into the buffer via interstitial-hopping and cadmium vacancy-assisted mechanisms at temperatures ∼400 °C. Cu is predicted to strongly favor migration paths within the basal plane of the wurtzite CdS lattice, which may facilitate defect clustering and ultimately the formation of Cu-rich interfacial phases as observed by energy dispersive x-ray spectroscopic elemental maps in real PV devices. Se, Zn, and Sn defects are found to exhibit much larger activation energies and are not expected to diffuse within the CdS bulk at temperatures compatible with typical PV processing temperatures. Lastly, we find that Na interstitials are expected to exhibit slightly lower activation energies than K interstitials despite having a larger migration barrier. Still, we find both alkali species are expected to diffuse via an interstitially mediated mechanism at slightly higher temperatures than enable In, Ga, and Cu diffusion in the bulk. Our results indicate that processing temperatures in excess of ∼400 °C will lead to more interfacial intermixing with CdS buffer layers in CIGSe devices, and less so for CZTSSe absorbers where only Cu is expected to significantly diffuse into the buffer.

  8. A new three-dimensional nonscanning laser imaging system based on the illumination pattern of a point-light-source array

    Science.gov (United States)

    Xia, Wenze; Ma, Yayun; Han, Shaokun; Wang, Yulin; Liu, Fei; Zhai, Yu

    2018-06-01

    One of the most important goals of research on three-dimensional nonscanning laser imaging systems is the improvement of the illumination system. In this paper, a new three-dimensional nonscanning laser imaging system based on the illumination pattern of a point-light-source array is proposed. This array is obtained using a fiber array connected to a laser array with each unit laser having independent control circuits. This system uses a point-to-point imaging process, which is realized using the exact corresponding optical relationship between the point-light-source array and a linear-mode avalanche photodiode array detector. The complete working process of this system is explained in detail, and the mathematical model of this system containing four equations is established. A simulated contrast experiment and two real contrast experiments which use the simplified setup without a laser array are performed. The final results demonstrate that unlike a conventional three-dimensional nonscanning laser imaging system, the proposed system meets all the requirements of an eligible illumination system. Finally, the imaging performance of this system is analyzed under defocusing situations, and analytical results show that the system has good defocusing robustness and can be easily adjusted in real applications.

  9. The relationship between the hardness and the point-defect-density in neutron-irradiated MgO·3.0Al2O3 and AlN

    International Nuclear Information System (INIS)

    Suematsu, H.; Yatsui, K.; Yano, T.

    2001-01-01

    MgO·3.0Al 2 O 3 single crystals and sintered AlN polycrystals were irradiated with fast neutrons in various conditions and the hardness of the irradiated and unirradiated samples was measured with a Vickers hardness tester. The hardness of as-irradiated MgO·3.0Al 2 O 3 and AlN samples increased by 23 and 51%, respectively. After isochronal annealing, the hardness gradually decreased and mostly recovered to that of the unirradiated one up to 1400degC. Volume of the sample also increased after the irradiation and changed in the same way as the hardness by annealing. A relationship between the hardness and the density of point defects is proposed and the experimental results agree with the relationship. It implies that the point defects generated by the irradiation pin down dislocations and increase the hardness of neutron irradiated MgO·3.0Al 2 O 3 samples. (author)

  10. Major difference in visible-light photocatalytic features between perfect and self-defective Ta3N5 materials: A screened coulomb hybrid dft investigation

    KAUST Repository

    Harb, Moussab; Cavallo, Luigi; Basset, Jean-Marie

    2014-01-01

    theory (DFT, including the perturbation theory DFPT) within the screened coulomb hybrid (HSE06) exchange-correlation formalism. Among the various explored self-defective structures, a strong stabilization is obtained for the configuration displaying a

  11. Research on an uplink carrier sense multiple access algorithm of large indoor visible light communication networks based on an optical hard core point process.

    Science.gov (United States)

    Nan, Zhufen; Chi, Xuefen

    2016-12-20

    The IEEE 802.15.7 protocol suggests that it could coordinate the channel access process based on the competitive method of carrier sensing. However, the directionality of light and randomness of diffuse reflection would give rise to a serious imperfect carrier sense (ICS) problem [e.g., hidden node (HN) problem and exposed node (EN) problem], which brings great challenges in realizing the optical carrier sense multiple access (CSMA) mechanism. In this paper, the carrier sense process implemented by diffuse reflection light is modeled as the choice of independent sets. We establish an ICS model with the presence of ENs and HNs for the multi-point to multi-point visible light communication (VLC) uplink communications system. Considering the severe optical ICS problem, an optical hard core point process (OHCPP) is developed, which characterizes the optical CSMA for the indoor VLC uplink communications system. Due to the limited coverage of the transmitted optical signal, in our OHCPP, the ENs within the transmitters' carrier sense region could be retained provided that they could not corrupt the ongoing communications. Moreover, because of the directionality of both light emitting diode (LED) transmitters and receivers, theoretical analysis of the HN problem becomes difficult. In this paper, we derive the closed-form expression for approximating the outage probability and transmission capacity of VLC networks with the presence of HNs and ENs. Simulation results validate the analysis and also show the existence of an optimal physical carrier-sensing threshold that maximizes the transmission capacity for a given emission angle of LED.

  12. A missense mutation in the agouti signaling protein gene (ASIP) is associated with the no light points coat phenotype in donkeys.

    Science.gov (United States)

    Abitbol, Marie; Legrand, Romain; Tiret, Laurent

    2015-04-08

    Seven donkey breeds are recognized by the French studbook and are characterized by a black, bay or grey coat colour including light cream-to-white points (LP). Occasionally, Normand bay donkeys give birth to dark foals that lack LP and display the no light points (NLP) pattern. This pattern is more frequent and officially recognized in American miniature donkeys. The LP (or pangare) phenotype resembles that of the light bellied agouti pattern in mouse, while the NLP pattern resembles that of the mammalian recessive black phenotype; both phenotypes are associated with the agouti signaling protein gene (ASIP). We used a panel of 127 donkeys to identify a recessive missense c.349 T > C variant in ASIP that was shown to be in complete association with the NLP phenotype. This variant results in a cysteine to arginine substitution at position 117 in the ASIP protein. This cysteine is highly-conserved among vertebrate ASIP proteins and was previously shown by mutagenesis experiments to lie within a functional site. Altogether, our results strongly support that the identified mutation is causative of the NLP phenotype. Thus, we propose to name the c.[349 T > C] allele in donkeys, the a(nlp) allele, which enlarges the panel of coat colour alleles in donkeys and ASIP recessive loss-of-function alleles in animals.

  13. Contribution to the study of point defects in uranium {alpha}; Contribution a l'etude des defauts ponctuels dans l'uranium {alpha}

    Energy Technology Data Exchange (ETDEWEB)

    Jousset, J [Commissariat a l' Energie Atomique, Fontenay-aux-Roses (France). Centre d' Etudes Nucleaires

    1967-07-01

    Uranium quenched from temperatures as low as 100 K shows an important increase in resistivity which disappears after annealing between 4.2 K and 41 K. This phenomenon is explained by a cold-work of the metal due to the rapid traversing of the temperature region where the lattice parameters exhibit an important and anisotropic increase. The annealing occurs in two stages (4.2 K - 26 K - 41 K). Purity of samples has an influence on the phenomenon. Model proposed is confirmed by the comparison with some experiments of annealing of defects created by irradiation of uranium at very low temperatures. Vacancies have been quenched in the metal from temperatures around 650 C (limit of the {alpha} phase). The formation energy so found is E{sub F} = 0. 5 {+-} 0.15 eV. The annealing out of the induced resistivity happens in two stages (300-390; 420-560 C). (authors) [French] La trempe de l'uranium dans l'helium liquide depuis des temperatures aussi basses que 100 K entraine une augmentation de resistivite qui disparait par recuit entre 4.2 K et 41 K. Ce phenomene est interprete comme un ecrouissage du metal provoque par la traversee rapide d'une region ou les parametres cristallins varient beaucoup et de facon anisotrope. Le recuit se fait en deux stades (4.2 K - 26 K - 41 K). La purete des echantillons a une influence sur le phenomene. Le modele propose a ete verifie par comparaison avec des experiences de recuit de defauts crees par irradiation de l'uranium a tres basse temperature. Des lacunes ont ete retenues a l'etat metastable par trempe du metal depuis des temperatures voisines de 650 C (limite de la phase {alpha}). L'energie de formation trouvee est E{sub F} = 0.5 {+-} 0.15 eV. La guerison se fait en deux stades (300-390 C; 420-560 C). (auteurs)

  14. Contribution to the study of point defects in uranium {alpha}; Contribution a l'etude des defauts ponctuels dans l'uranium {alpha}

    Energy Technology Data Exchange (ETDEWEB)

    Jousset, J. [Commissariat a l' Energie Atomique, Fontenay-aux-Roses (France). Centre d' Etudes Nucleaires

    1967-07-01

    Uranium quenched from temperatures as low as 100 K shows an important increase in resistivity which disappears after annealing between 4.2 K and 41 K. This phenomenon is explained by a cold-work of the metal due to the rapid traversing of the temperature region where the lattice parameters exhibit an important and anisotropic increase. The annealing occurs in two stages (4.2 K - 26 K - 41 K). Purity of samples has an influence on the phenomenon. Model proposed is confirmed by the comparison with some experiments of annealing of defects created by irradiation of uranium at very low temperatures. Vacancies have been quenched in the metal from temperatures around 650 C (limit of the {alpha} phase). The formation energy so found is E{sub F} = 0. 5 {+-} 0.15 eV. The annealing out of the induced resistivity happens in two stages (300-390; 420-560 C). (authors) [French] La trempe de l'uranium dans l'helium liquide depuis des temperatures aussi basses que 100 K entraine une augmentation de resistivite qui disparait par recuit entre 4.2 K et 41 K. Ce phenomene est interprete comme un ecrouissage du metal provoque par la traversee rapide d'une region ou les parametres cristallins varient beaucoup et de facon anisotrope. Le recuit se fait en deux stades (4.2 K - 26 K - 41 K). La purete des echantillons a une influence sur le phenomene. Le modele propose a ete verifie par comparaison avec des experiences de recuit de defauts crees par irradiation de l'uranium a tres basse temperature. Des lacunes ont ete retenues a l'etat metastable par trempe du metal depuis des temperatures voisines de 650 C (limite de la phase {alpha}). L'energie de formation trouvee est E{sub F} = 0.5 {+-} 0.15 eV. La guerison se fait en deux stades (300-390 C; 420-560 C). (auteurs)

  15. A traffic light food labeling intervention increases consumer awareness of health and healthy choices at the point-of-purchase.

    Science.gov (United States)

    Sonnenberg, Lillian; Gelsomin, Emily; Levy, Douglas E; Riis, Jason; Barraclough, Susan; Thorndike, Anne N

    2013-10-01

    We surveyed customers in a hospital cafeteria in Boston, Massachusetts before and after implementation of traffic light food labeling to determine the effect of labels on customers' awareness and purchase of healthy foods. Cafeteria items were identified as red (unhealthy), yellow (less healthy), or green (healthy). Customers were interviewed before (N=166) and after (N=223) labeling was implemented. Each respondent was linked to cash register data to determine the proportion of red, yellow, and green items purchased. Data were collected from February-April 2010. We compared responses to survey questions and mean proportion of red, yellow, and green items per transaction between customers interviewed during baseline and customers interviewed during the intervention. Survey response rate was 60%. Comparing responses during labeling intervention to baseline, more respondents identified health/nutrition as an important factor in their purchase (61% vs. 46%, p=0.004) and reported looking at nutrition information (33% vs. 15%, ppurchases were more likely to purchase healthier items than respondents who did not notice labels (ppoint-of-purchase. © 2013.

  16. Influence of ZnO seed layer precursor molar ratio on the density of interface defects in low temperature aqueous chemically synthesized ZnO nanorods/GaN light-emitting diodes

    Energy Technology Data Exchange (ETDEWEB)

    Alnoor, Hatim, E-mail: hatim.alnoor@liu.se; Iandolo, Donata; Willander, Magnus; Nur, Omer [Department of Science and Technology (ITN), Linköping University, SE-601 74 Norrköping (Sweden); Pozina, Galia; Khranovskyy, Volodymyr; Liu, Xianjie [Department of Physics, Chemistry and Biology (IFM), Linköping University, SE-583 81 Linköping (Sweden)

    2016-04-28

    Low temperature aqueous chemical synthesis (LT-ACS) of zinc oxide (ZnO) nanorods (NRs) has been attracting considerable research interest due to its great potential in the development of light-emitting diodes (LEDs). The influence of the molar ratio of the zinc acetate (ZnAc): KOH as a ZnO seed layer precursor on the density of interface defects and hence the presence of non-radiative recombination centers in LT-ACS of ZnO NRs/GaN LEDs has been systematically investigated. The material quality of the as-prepared seed layer as quantitatively deduced by the X-ray photoelectron spectroscopy is found to be influenced by the molar ratio. It is revealed by spatially resolved cathodoluminescence that the seed layer molar ratio plays a significant role in the formation and the density of defects at the n-ZnO NRs/p-GaN heterostructure interface. Consequently, LED devices processed using ZnO NRs synthesized with molar ratio of 1:5 M exhibit stronger yellow emission (∼575 nm) compared to those based on 1:1 and 1:3 M ratios as measured by the electroluminescence. Furthermore, seed layer molar ratio shows a quantitative dependence of the non-radiative defect densities as deduced from light-output current characteristics analysis. These results have implications on the development of high-efficiency ZnO-based LEDs and may also be helpful in understanding the effects of the ZnO seed layer on defect-related non-radiative recombination.

  17. Crystallite-conjugation regions in polycrystalline transition and noble metals. 1. Composition and properties of point defects in the cores of crystallite-conjugation regions in polycrystalline Cr, Ta and W

    International Nuclear Information System (INIS)

    Klotsman, S.M.; Kajgorodov, V.N.; Ermakov, A.V.; Rudenko, V.K.

    2004-01-01

    With the use of available results of theoretical investigations on structure and properties of crystallite conjugation regions (CCR) the types and relaxation volumes of point defects arising in a core of the CCR of polycrystalline Ta, W and Cr after vacuum annealing (10 -6 - 10 -5 torr) are determined. Temperature dependences are studied for isomer shifts δ 1 and δ 2 of -1 and -2 components of emission spectra of NGR-irradiation 57 Co( 57 Fe) atomic probes localized in a core of the CCR and in adjacent zones of the lattice of polycrystalline solid solutions of O(Ta), O(W) and O(Cr). A comparison of the dependences obtained is carried and the specific features observed are explained for O(Cr) [ru

  18. Impurity-related point defects and gamma-radiation response of massive quartz from the Borborema pegmatite province, in Brazil; Estudo da suscetibilidade ao escurecimento por radiacao gama de quartzo roseo-leitoso da provincia pegmatitica da Borborema

    Energy Technology Data Exchange (ETDEWEB)

    Miranda, Milena Ribas de [Universidade Federal de Pernambuco (UFPE), Recife, PE (Brazil). Programa de Pos-Graduacao em Engenharia Mineral; Gonzaga, Raysa Sthefany Gomes; Guzzo, Pedro Luiz [Universidade Federal de Pernambuco (UFPE), Recife, PE (Brazil). Dept. de Engenharia de Minas; Barreto, Sandra de Brito [Universidade Federal de Pernambuco (UFPE), Recife, PE (Brazil). Dept. de Geologia; Melgarejo, Joan Carles, E-mail: milaribas@hotmail.com, E-mail: raysagonzaga@hotmail.com, E-mail: pguzzo@ufpe.br, E-mail: sandrabrito@smart.net.br, E-mail: joan.carles.melgarejo.draper@ub.edu [Universidade de Barcelona, Barcelona (Spain). Dept. de Cristalografia, Mineralogia e Depositos Minerais

    2012-06-15

    This work has investigated the changes induced by {gamma}-radiation on impurity-related point defects in massive rose quartz from one deposit located at The Borborema Pegmatite Province (Northeast Region, in Brazil). Samples extracted from rose and colorless (milky) quartz blocks were irradiated with doses of {sup 60}Co, from 0.5 to 96 kGy. Point defects related to Al, Ge, Li and OH were measured by optical, infrared, and electron paramagnetic resonance spectroscopy, prior and after irradiation. The contents of Al, Li, Ge, Fe, Ti and other impurities were measured by inductively-coupled plasma mass spectrometry in quartz fragments exhibiting rose, pale-rose, and milky colorations. It was found that [AlO{sub 4}]{sup 0}, [AlO{sub 4}/H]{sup 0} and [GeO{sub 4}/Li]{sup 0} were generated by the dissociation of [AlO{sub 4}/Li]{sup 0} and [Li-OH] centers with doses as lower as 0.5 kGy. Above 8 kGy, the electron paramagnetic resonance signal related to [GeO{sub 4}/Li]{sup 0} decreases due to the intense mobility of Li species throughout the quartz lattice, giving rise to E'{sub 1} centers perturbed by Ge. The increase in [AlO{sub 4}]{sup 0} content with {gamma} doses and the consequent rise in the intensity of smoky color were similar for both rose and colorless quartz. Scanning electron microscopy carried out in insoluble residues obtained after chemical dissolution of each type of quartz revealed the presence of nanometric fibers only in rose specimens. These results suggested that the cause of rose color in massive quartz from Borborema Pegmatite Province is probably related to the presence of dumortierite inclusions. (author)

  19. How to 'visualize' lattice defects

    International Nuclear Information System (INIS)

    Doi, Kenji

    1974-01-01

    Methods to recognize objects are discussed. In case of optics, lenses are used, and light from objects passing through the lenses focuses on focal planes. The amplitude of light on the focal planes in given as a function of the structure factor of scattering light from objects, images of objects are made on image planes. In case of X-ray or neutron diffraction, lenses which make images by X-ray or neutrons can not be made, accordingly images cannot be obtained. Images can be seen with electron microscopes. By X-ray or thermal neutron diffraction, intensity on focal planes in observed, and the defects to be studied are recognized as diffuse scattering. Since it is necessary to minimize aberration in case of image observation with electron microscopes, slits are used to utilize electron beam near optical axis exclusively. Therefore large resolving power cannot be expected. The information concerning structure obtained from focal planes is of statistical nature, and that from image planes is local information. The principle of neutron topography, by which the informations concerning local points are obtained, is explained. A photograph of LiF irradiated by 0.5 MeV proton beam was taken by the topographic method, and shown in this paper. (Kato, T.)

  20. Defect induced structural inhomogeneity, ultraviolet light emission and near-band-edge photoluminescence broadening in degenerate In2O3 nanowires

    Science.gov (United States)

    Mukherjee, Souvik; Sarkar, Ketaki; Wiederrecht, Gary P.; Schaller, Richard D.; Gosztola, David J.; Stroscio, Michael A.; Dutta, Mitra

    2018-04-01

    We demonstrate here defect induced changes on the morphology and surface properties of indium oxide (In2O3) nanowires and further study their effects on the near-band-edge (NBE) emission, thereby showing the significant influence of surface states on In2O3 nanostructure based device characteristics for potential optoelectronic applications. In2O3 nanowires with cubic crystal structure (c-In2O3) were synthesized via carbothermal reduction technique using a gold-catalyst-assisted vapor-liquid-solid method. Onset of strong optical absorption could be observed at energies greater than 3.5 eV consistent with highly n-type characteristics due to unintentional doping from oxygen vacancy ({V}{{O}}) defects as confirmed using Raman spectroscopy. A combination of high resolution transmission electron microscopy, x-ray photoelectron spectroscopy and valence band analysis on the nanowire morphology and stoichiometry reveals presence of high-density of {V}{{O}} defects on the surface of the nanowires. As a result, chemisorbed oxygen species can be observed leading to upward band bending at the surface which corresponds to a smaller valence band offset of 2.15 eV. Temperature dependent photoluminescence (PL) spectroscopy was used to study the nature of the defect states and the influence of the surface states on the electronic band structure and NBE emission has been discussed. Our data reveals significant broadening of the NBE PL peak consistent with impurity band broadening leading to band-tailing effect from heavy doping.

  1. Defect induced structural inhomogeneity, ultraviolet light emission and near-band-edge photoluminescence broadening in degenerate In 2 O 3 nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Mukherjee, Souvik; Sarkar, Ketaki; Wiederrecht, Gary P.; Schaller, Richard D.; Gosztola, David J.; Stroscio, Michael A.; Dutta, Mitra

    2018-03-01

    We demonstrate here defect induced changes on the morphology and surface properties of indium oxide (In2O3) nanowires and further study their effects on the near-band-edge (NBE) emission, thereby showing the significant influence of surface states on In2O3 nanostructure based device characteristics for potential optoelectronic applications. In2O3 nanowires with cubic crystal structure (c-In2O3) were synthesized via carbothermal reduction technique using a gold-catalyst-assisted vapor–liquid–solid method. Onset of strong optical absorption could be observed at energies greater than 3.5 eV consistent with highly n-type characteristics due to unintentional doping from oxygen vacancy (VO) defects as confirmed using Raman spectroscopy. A combination of high resolution transmission electron microscopy, x-ray photoelectron spectroscopy and valence band analysis on the nanowire morphology and stoichiometry reveals presence of high-density of VO defects on the surface of the nanowires. As a result, chemisorbed oxygen species can be observed leading to upward band bending at the surface which corresponds to a smaller valence band offset of 2.15 eV. Temperature dependent photoluminescence (PL) spectroscopy was used to study the nature of the defect states and the influence of the surface states on the electronic band structure and NBE emission has been discussed. Our data reveals significant broadening of the NBE PL peak consistent with impurity band broadening leading to band-tailing effect from heavy doping.

  2. Defect identification using positrons

    International Nuclear Information System (INIS)

    Beling, C.D.; Fung, S.

    2001-01-01

    The current use of the lifetime and Doppler broadening techniques in defect identification is demonstrated with two studies, the first being the identification of carbon vacancy in n-6H SiC through lifetime spectroscopy, and the second the production of de-hydrogenated voids in α-Si:H through light soaking. Some less conventional ideas are presented for more specific defect identification, namely (i) the amalgamation of lifetime and Doppler techniques with conventional deep level transient spectroscopy in what may be called ''positron-deep level transient spectroscopy'', and (ii) the extraction of more spatial information on vacancy defects by means of what may be called ''Fourier transform Doppler broadening of annihilation radiation spectroscopy'' (orig.)

  3. Contribution to the theoretical study of the thermal diffusion of point defects in metals; Contribution a l'etude theorique et experimentale de la thermodiffusion de defauts ponctuels dans les metaux

    Energy Technology Data Exchange (ETDEWEB)

    Gerl, M [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1968-01-01

    An experimental study of diffusion under a thermal gradient shows that the heat of transport Q-bar* for self-diffusion in the noble metals is very low (a few hundredths of I eV) and relatively large in Fe{alpha} (+ 1,7 {+-} 0,8 eV). The apparent heat of transport of Sb in Cu, measured by the 'thin layer technique' is -0.21 {+-}0,05 eV.The influence of the density of sources and sinks of vacancies on the observed vacancy flux is determined by a calculation involving the thermodynamics of irreversible processes; when the mean distance between sources and sinks is larger than a certain limiting value, the vacancy flux vanishes.The contribution to the heat of transport of electron-defect (q*e) and phonon-defect (q*p) collisions is calculated using a semi-classical approach and by a quantum mechanical method; q*e is related to the resistivity {delta} -{rho}{sub d} and to the thermoelectric power of the defect at its stable position and at its saddle-point. A relation between q*e and the effective valency Z* of the defect allows a determination of {delta}{sub {rho}}{sub d} at the saddle-point. Numerical values of q*e are given for some impurities in noble metals. (author) [French] L'etude experimentale de la diffusion sous gradient de temperature montre que la chaleur de transport d'autodiffusion des metaux nobles est tres faible (quelques centiemes d'eV), alors que celle de Fe{alpha} est relativement elevee (+1,7 {+-} 0,8 eV). La chaleur de transport apparente de Sb dans Cu, mesuree par la technique de la couche mince, est (-0.21 {+-} 0.05 eV). L'influence de la densite de sources et puits de lacunes sur le flux de lacunes observe est determinee en appliquant le formalisme de la thermodynamique des processus irreversibles; si la distance moyenne entre sources et puits excede une certaine valeur limite, le flux de lacunes devient pratiquement nul. La contribution des chocs electrons-defaut (q*e) et phonons-defaut (q*p) a la chaleur de transport,est calcul theoriquement a

  4. Contribution to the theoretical study of the thermal diffusion of point defects in metals; Contribution a l'etude theorique et experimentale de la thermodiffusion de defauts ponctuels dans les metaux

    Energy Technology Data Exchange (ETDEWEB)

    Gerl, M. [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1968-01-01

    An experimental study of diffusion under a thermal gradient shows that the heat of transport Q-bar* for self-diffusion in the noble metals is very low (a few hundredths of I eV) and relatively large in Fe{alpha} (+ 1,7 {+-} 0,8 eV). The apparent heat of transport of Sb in Cu, measured by the 'thin layer technique' is -0.21 {+-}0,05 eV.The influence of the density of sources and sinks of vacancies on the observed vacancy flux is determined by a calculation involving the thermodynamics of irreversible processes; when the mean distance between sources and sinks is larger than a certain limiting value, the vacancy flux vanishes.The contribution to the heat of transport of electron-defect (q*e) and phonon-defect (q*p) collisions is calculated using a semi-classical approach and by a quantum mechanical method; q*e is related to the resistivity {delta} -{rho}{sub d} and to the thermoelectric power of the defect at its stable position and at its saddle-point. A relation between q*e and the effective valency Z* of the defect allows a determination of {delta}{sub {rho}}{sub d} at the saddle-point. Numerical values of q*e are given for some impurities in noble metals. (author) [French] L'etude experimentale de la diffusion sous gradient de temperature montre que la chaleur de transport d'autodiffusion des metaux nobles est tres faible (quelques centiemes d'eV), alors que celle de Fe{alpha} est relativement elevee (+1,7 {+-} 0,8 eV). La chaleur de transport apparente de Sb dans Cu, mesuree par la technique de la couche mince, est (-0.21 {+-} 0.05 eV). L'influence de la densite de sources et puits de lacunes sur le flux de lacunes observe est determinee en appliquant le formalisme de la thermodynamique des processus irreversibles; si la distance moyenne entre sources et puits excede une certaine valeur limite, le flux de lacunes devient pratiquement nul. La contribution des chocs electrons-defaut (q*e) et phonons-defaut (q*p) a la chaleur de

  5. Characterization of the structure and chemistry of defects in materials

    International Nuclear Information System (INIS)

    Larson, B.C.; Ruehle, M.; Seidman, D.N.

    1988-01-01

    Research programs, presented at the materials research symposium, on defects in materials are presented. Major areas include: point defects, defect aggregates, and ordering; defects in non-metals and semiconductors; atomic resolution imaging of defects; and gain boundaries, interfaces, and layered materials. Individual projects are processed separately for the data bases

  6. High resolution measurements supported by electronic structure calculations of two naphthalene derivatives: [1,5]- and [1,6]-naphthyridine—Estimation of the zero point inertial defect for planar polycyclic aromatic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Gruet, S., E-mail: sebastien.gruet@synchrotron-soleil.fr, E-mail: manuel.goubet@univ-lille1.fr; Pirali, O. [AILES Beamline, Synchrotron SOLEIL, Saint-Aubin, 91192 Gif-sur-Yvette (France); Institut des Sciences Moléculaires d’Orsay, UMR 8214 CNRS – Université Paris Sud, 91405 Orsay Cedex (France); Goubet, M., E-mail: sebastien.gruet@synchrotron-soleil.fr, E-mail: manuel.goubet@univ-lille1.fr [Laboratoire de Physique des Lasers, Atomes et Molécules, UMR 8523 CNRS – Université Lille 1, 59655 Villeneuve d’Ascq Cedex (France)

    2014-06-21

    the semi-empirical relations to estimate the zero-point inertial defect (Δ{sub 0}) of polycyclic aromatic molecules and confirmed the contribution of low frequency out-of-plane vibrational modes to the GS inertial defects of PAHs, which is indeed a key parameter to validate the analysis of such large molecules.

  7. Switching of the direction of reflectionless light propagation at exceptional points in non-PT-symmetric structures using phase-change materials.

    Science.gov (United States)

    Huang, Yin; Shen, Yuecheng; Min, Changjun; Veronis, Georgios

    2017-10-30

    We introduce a non-parity-time-symmetric three-layer structure, consisting of a gain medium layer sandwiched between two phase-change medium layers for switching of the direction of reflectionless light propagation. We show that for this structure unidirectional reflectionlessness in the forward direction can be switched to unidirectional reflectionlessness in the backward direction at the optical communication wavelength by switching the phase-change material Ge 2 Sb 2 Te 5 (GST) from its amorphous to its crystalline phase. We also show that it is the existence of exceptional points for this structure with GST in both its amorphous and crystalline phases which leads to unidirectional reflectionless propagation in the forward direction for GST in its amorphous phase, and in the backward direction for GST in its crystalline phase. Our results could be potentially important for developing a new generation of compact active free-space optical devices.

  8. Point defects and the creep of metals

    International Nuclear Information System (INIS)

    Nichols, F.A.

    1976-01-01

    Basic concepts felt to be important in diffusion-controlled creep of metals are reviewed and it is suggested that such creep is controlled by edge-dislocation climb under a rather wide range of conditions. The effect of a damage-producing flux on such creep processes is explored. It is shown that processes such as Herring-Nabarro creep are unaffected by irradiation. Evidence is presented for a climb-plus-glide mechanism of radiation creep for stresses above unirradiated yield or flow stresses. At lower stresses a preferential dislocation loop nucleation model is suggested

  9. Quantum computing with defects

    Science.gov (United States)

    Varley, Joel

    2011-03-01

    The development of a quantum computer is contingent upon the identification and design of systems for use as qubits, the basic units of quantum information. One of the most promising candidates consists of a defect in diamond known as the nitrogen-vacancy (NV-1) center, since it is an individually-addressable quantum system that can be initialized, manipulated, and measured with high fidelity at room temperature. While the success of the NV-1 stems from its nature as a localized ``deep-center'' point defect, no systematic effort has been made to identify other defects that might behave in a similar way. We provide guidelines for identifying other defect centers with similar properties. We present a list of physical criteria that these centers and their hosts should meet and explain how these requirements can be used in conjunction with electronic structure theory to intelligently sort through candidate systems. To elucidate these points, we compare electronic structure calculations of the NV-1 center in diamond with those of several deep centers in 4H silicon carbide (SiC). Using hybrid functionals, we report formation energies, configuration-coordinate diagrams, and defect-level diagrams to compare and contrast the properties of these defects. We find that the NC VSi - 1 center in SiC, a structural analog of the NV-1 center in diamond, may be a suitable center with very different optical transition energies. We also discuss how the proposed criteria can be translated into guidelines to discover NV analogs in other tetrahedrally coordinated materials. This work was performed in collaboration with J. R. Weber, W. F. Koehl, B. B. Buckley, A. Janotti, C. G. Van de Walle, and D. D. Awschalom. This work was supported by ARO, AFOSR, and NSF.

  10. Temporal patterning of the potential induced by localized corrosion of iron passivity in acid media. Growth and breakdown of the oxide film described in terms of a point defect model.

    Science.gov (United States)

    Sazou, Dimitra; Pavlidou, Maria; Pagitsas, Michael

    2009-10-21

    This work analyses the nature of temporal patterning of the anodic potential induced by chlorides during polarization of iron under current-controlled conditions in acid solutions. It is shown that potential oscillations emerged as a result of the local chloride attack of a thin oxide layer, which covers the iron surface in its passive state. The mechanism by which both the local oxide breakdown and the subsequent localized active dissolution (pitting) occur is explained by considering a point defect model (PDM) developed to describe the oxide growth and breakdown. According to the PDM, chlorides occupy oxygen vacancies resulting in the inhibition of oxide growth and autocatalytic generation of cation vacancies that destabilize the oxide layer. Simultaneous transformation of the outer surface of the inner oxide layer to non-adherent ferrous chloride or oxo-chloride species leads to a further thinning of the oxide layer and its lifting-on from the iron surface. The process repeats again yielding sustained oscillations of the anodic potential. Analysis of the oscillatory response obtained under current-controlled conditions as a function of either the current or the time allows the suggestion of a set of alternate diagnostic criteria, which might be used to characterize localized corrosion of iron in acid solutions.

  11. Large bandgap narrowing in rutile TiO2 aimed towards visible light applications and its correlation with vacancy-type defects history and transformation

    Science.gov (United States)

    Nair, Radhika V.; Gayathri, P. K.; Siva Gummaluri, Venkata; Nambissan, P. M. G.; Vijayan, C.

    2018-01-01

    Extension of photoactivity of TiO2 to the visible region is achievable via effective control over the intrinsic defects such as oxygen and Ti vacancies, which has several applications in visible photocatalysis and sensing. We present here the first observation of an apparent bandgap narrowing and bandgap tuning effect due to vacancy cluster transformation in rutile TiO2 structures to 1.84 eV from the bulk bandgap of 3 eV. A gradual transformation of divacancies (V Ti-O) to tri vacancies ({{V}Ti-O-T{{i-}}} ) achieved through a controlled solvothermal scheme appears to result in an apparent narrowing bandgap and tunability, as supported by positron annihilation lifetime and electron paramagnetic resonance spectroscopy measurements. Visible photocatalytic activity of the samples is demonstrated in terms of photodegradation of rhodamine B dye molecules.

  12. Channeling studies of impurity-defect interactions in silicon

    International Nuclear Information System (INIS)

    Wiggers, L.W.

    1978-01-01

    This thesis deals with the mechanism of defect production and interaction of introduced defects with impurity atoms in silicon single crystals. Defects are created by irradiation with energetic light particles (.2 - 3 MeV H + or He + ions). Mostly simple defects like vacancies and interstitials are produced during bombardment. (Auth.)

  13. Defect-detection algorithm for noncontact acoustic inspection using spectrum entropy

    Science.gov (United States)

    Sugimoto, Kazuko; Akamatsu, Ryo; Sugimoto, Tsuneyoshi; Utagawa, Noriyuki; Kuroda, Chitose; Katakura, Kageyoshi

    2015-07-01

    In recent years, the detachment of concrete from bridges or tunnels and the degradation of concrete structures have become serious social problems. The importance of inspection, repair, and updating is recognized in measures against degradation. We have so far studied the noncontact acoustic inspection method using airborne sound and the laser Doppler vibrometer. In this method, depending on the surface state (reflectance, dirt, etc.), the quantity of the light of the returning laser decreases and optical noise resulting from the leakage of light reception arises. Some influencing factors are the stability of the output of the laser Doppler vibrometer, the low reflective characteristic of the measurement surface, the diffused reflection characteristic, measurement distance, and laser irradiation angle. If defect detection depends only on the vibration energy ratio since the frequency characteristic of the optical noise resembles white noise, the detection of optical noise resulting from the leakage of light reception may indicate a defective part. Therefore, in this work, the combination of the vibrational energy ratio and spectrum entropy is used to judge whether a measured point is healthy or defective or an abnormal measurement point. An algorithm that enables more vivid detection of a defective part is proposed. When our technique was applied in an experiment with real concrete structures, the defective part could be extracted more vividly and the validity of our proposed algorithm was confirmed.

  14. Embedded defects

    International Nuclear Information System (INIS)

    Barriola, M.; Vachaspati, T.; Bucher, M.

    1994-01-01

    We give a prescription for embedding classical solutions and, in particular, topological defects in field theories which are invariant under symmetry groups that are not necessarily simple. After providing examples of embedded defects in field theories based on simple groups, we consider the electroweak model and show that it contains the Z string and a one-parameter family of strings called the W(α) string. It is argued that although the members of this family are gauge equivalent when considered in isolation, each member becomes physically distinct when multistring configurations are considered. We then turn to the issue of stability of embedded defects and demonstrate the instability of a large class of such solutions in the absence of bound states or condensates. The Z string is shown to be unstable for all values of the Higgs boson mass when θ W =π/4. W strings are also shown to be unstable for a large range of parameters. Embedded monopoles suffer from the Brandt-Neri-Coleman instability. Finally, we connect the electroweak string solutions to the sphaleron

  15. A new approach to reticle haze defect management in the fab

    Science.gov (United States)

    Gau, Yeu-Dong; Hsiao, Kevin; Hsu, Wen-Hao; Lu, Yu-Min; Chen, Chun-Chieh; Liu, Chen Min; Van Riet, Mike; Gaspar, Noah; Yu, Chien-Chun; Chan, Phillip

    2009-04-01

    The present practice of managing reticle haze defectivity involves reticle inspection at regular intervals, coupled with inspection of print-down wafers in between reticle inspections. The sensitivity of the reticle inspection tool allows it to detect haze defects before they are large enough to print on the wafer. Cleaning the reticle as soon as the reticle inspector detects haze defects could result in a shorter reticle lifetime. Thus there is strong motivation to develop a methodology to determine what size defect on the reticle results in a printable defect on the wafer. Printability depends upon several variables in the litho process as well as whether the defect resides in a high-MEEF (Mask Error Enhancement Factor) or low-MEEF area of the die.1 Trying to use wafer inspection to identify the first appearance of haze defects may require inspector recipe settings that are not suited to a practical wafer scan. A novel method of managing such defects is to map the coordinates of the defects from the reticle onto the wafer, and apply a separate, hyper-sensitive threshold to a small area surrounding the given coordinates. With this method, one can start to correlate the size of the defects printed on the wafer to the light transmission rate from the corresponding site on the reticle scan, and thus can predict the starting point at which the haze defects on the reticle are likely to print on the wafer. The experiment described in this paper is a first step in exploring the feasibility of this method to help track the growth of nascent haze defects and optimize the timing to rework the reticles. The methodology may have extendibility to other applications in which hyper-sensitive wafer inspection at localized areas within the die would be beneficial, such as monitoring weak spots found by Optical Rule Check, Process Window Qualification, electrical test or failure analysis.

  16. Holographic Chern-Simons defects

    International Nuclear Information System (INIS)

    Fujita, Mitsutoshi; Melby-Thompson, Charles M.; Meyer, René; Sugimoto, Shigeki

    2016-01-01

    We study SU(N) Yang-Mills-Chern-Simons theory in the presence of defects that shift the Chern-Simons level from a holographic point of view by embedding the system in string theory. The model is a D3-D7 system in Type IIB string theory, whose gravity dual is given by the AdS soliton background with probe D7 branes attaching to the AdS boundary along the defects. We holographically renormalize the free energy of the defect system with sources, from which we obtain the correlation functions for certain operators naturally associated to these defects. We find interesting phase transitions when the separation of the defects as well as the temperature are varied. We also discuss some implications for the Fractional Quantum Hall Effect and for 2-dimensional QCD.

  17. A study of point defects created by electron irradiation of dilute iron-carbon alloys; Etude des defauts crees par irradiation electronique dans les alliages de fer carbone dilues

    Energy Technology Data Exchange (ETDEWEB)

    Leveque, J L [Commissariat a l' Energie Atomique, Grenoble (France). Centre d' Etudes Nucleaires

    1969-10-01

    Resistivity and magnetic after effect (m.a.e.) measurements are used to study the influence of carbon atoms on the annealing process of point defects created by electron irradiation (3 MeV) at low temperature (20 deg. K). The presence of the carbon atoms has a strong influence on the recovery sub-stage I{sub E} and stage III. For the former, the carbon impurity traps the freely migrating iron interstitial. For the latter the effect is interpreted as being due to formation during annealing, of a carbon vacancy pair. A pronounced m.a.e. band is attributed to the reorientation of this carbon vacancy complex. All these results are coherent with the interpretation of a low temperature migrating free interstitial. (author) [French] L'influence des atomes de carbone sur le recuit des defauts ponctuels crees par irradiation electronique (3 MeV) a basse temperature (20 deg. K) dans le fer est mise en evidence par des mesures de resistivite electrique, et de trainage magnetique. Cette influence se manifeste principalement au cours du sous stade I{sub E} et du stade III de resistivite. Au sous stade I{sub E} les atomes de carbone piegeraient les interstitiels libres de fer au cours de leur migration. Le stade III est interprete comme etant du a la recombinaison du carbone dans les lacunes. Une importante bande de tramage magnetique etant attribuee a la reorientation de ce complexe. Ces resultats sont coherents avec l'interpretation faisant migrer a basse temperature l'interstitiel libre. (auteur)

  18. Quantum computing with defects.

    Science.gov (United States)

    Weber, J R; Koehl, W F; Varley, J B; Janotti, A; Buckley, B B; Van de Walle, C G; Awschalom, D D

    2010-05-11

    Identifying and designing physical systems for use as qubits, the basic units of quantum information, are critical steps in the development of a quantum computer. Among the possibilities in the solid state, a defect in diamond known as the nitrogen-vacancy (NV(-1)) center stands out for its robustness--its quantum state can be initialized, manipulated, and measured with high fidelity at room temperature. Here we describe how to systematically identify other deep center defects with similar quantum-mechanical properties. We present a list of physical criteria that these centers and their hosts should meet and explain how these requirements can be used in conjunction with electronic structure theory to intelligently sort through candidate defect systems. To illustrate these points in detail, we compare electronic structure calculations of the NV(-1) center in diamond with those of several deep centers in 4H silicon carbide (SiC). We then discuss the proposed criteria for similar defects in other tetrahedrally coordinated semiconductors.

  19. Enhanced photocatalytic degradation of dye under visible light on mesoporous microspheres by defects in manganese- and nitrogen-co-doped TiO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Feng, Lu; Jiang, Heng, E-mail: hjiang78@hotmail.com [Liaoning Shihua University, School of Chemistry and Materials Science (China); Zou, Mingming; Xiong, Fengqiang; Ganeshraja, Ayyakannu Sundaram; Pervaiz, Erum [Chinese Academy of Sciences, Dalian National Laboratory for Clean Energy, Dalian Institute of Chemical Physics (China); Liu, Yinan; Zou, Shunying [Dalian Environmental Protection Laboratory (China); Yang, Minghui, E-mail: myang@dicp.ac.cn [Chinese Academy of Sciences, Dalian National Laboratory for Clean Energy, Dalian Institute of Chemical Physics (China)

    2016-09-15

    Manganese- and nitrogen-co-doped mesoporous TiO{sub 2} microsphere photocatalysts are prepared by a simple sol–gel method with controllable sizes in the range of 400–500 nm and high surface area of 112 m{sup 2} g{sup −1}. Manganous acetate is the Mn source, and ammonia gas is the nitrogen source used. The dopants are found to be uniformly distributed in the TiO{sub 2} matrix. Interestingly, in (Mn,N)-co-doped TiO{sub 2}, we observe an effective indirect band gap of ~2.58 eV. (Mn,N)-co-doped mesoporous TiO{sub 2} microspheres show higher photocatalytic activity than Mn–TiO{sub 2} microspheres under visible light irradiation. Among the samples reported in this work, 0.2 at.% Mn doping and 500 °C 2-h nitriding condition give the highest photocatalytic activity. The observed photocatalytic activity in the (Mn,N)-co-doped TiO{sub 2} is attributed to the contribution from improved absorption due to trap levels of Mn, oxygen vacancies and N doping.Graphical AbstractManganese- and nitrogen-co-doped mesoporous TiO{sub 2} microspheres containing substitutional N, interstitial N and O vacancies show high visible light photocatalytic activity.

  20. Understanding the defect structure of solution grown zinc oxide

    Energy Technology Data Exchange (ETDEWEB)

    Liew, Laura-Lynn [Institute of Materials Research and Engineering, Agency for Science, Technology and Research (A-STAR), 3 Research Link, Singapore 117602 (Singapore); School of Materials Science and Engineering, Nanyang Technological University, Block N4.1 Nanyang Avenue, Singapore 639798 (Singapore); Sankar, Gopinathan, E-mail: g.sankar@ucl.ac.uk [Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ (United Kingdom); Handoko, Albertus D. [Institute of Materials Research and Engineering, Agency for Science, Technology and Research (A-STAR), 3 Research Link, Singapore 117602 (Singapore); Goh, Gregory K.L., E-mail: g-goh@imre.a-star.edu.sg [Institute of Materials Research and Engineering, Agency for Science, Technology and Research (A-STAR), 3 Research Link, Singapore 117602 (Singapore); School of Materials Science and Engineering, Nanyang Technological University, Block N4.1 Nanyang Avenue, Singapore 639798 (Singapore); Kohara, Shinji [Japan Synchrotron Radiation Research Institute (JASRI), Mikazuki, Sayo, Hyogo 679-5198 (Japan)

    2012-05-15

    Zinc oxide (ZnO) is a wide bandgap semiconducting oxide with many potential applications in various optoelectronic devices such as light emitting diodes (LEDs) and field effect transistors (FETs). Much effort has been made to understand the ZnO structure and its defects. However, one major issue in determining whether it is Zn or O deficiency that provides ZnO its unique properties remains. X-ray absorption spectroscopy (XAS) is an ideal, atom specific characterization technique that is able to probe defect structure in many materials, including ZnO. In this paper, comparative studies of bulk and aqueous solution grown ({<=}90 Degree-Sign C) ZnO powders using XAS and x-ray pair distribution function (XPDF) techniques are described. The XAS Zn-Zn correlation and XPDF results undoubtedly point out that the solution grown ZnO contains Zn deficiency, rather than the O deficiency that were commonly reported. This understanding of ZnO short range order and structure will be invaluable for further development of solid state lighting and other optoelectronic device applications. - Graphical abstract: Highlights: Black-Right-Pointing-Pointer ZnO powders have been synthesized through an aqueous solution method. Black-Right-Pointing-Pointer Defect structure studied using XAS and XPDF. Black-Right-Pointing-Pointer Zn-Zn correlations are less in the ZnO powders synthesized in solution than bulk. Black-Right-Pointing-Pointer Zn vacancies are present in the powders synthesized. Black-Right-Pointing-Pointer EXAFS and XPDF, when used complementary, are useful characterization techniques.

  1. Electrical fingerprint of pipeline defects

    International Nuclear Information System (INIS)

    Mica, Isabella; Polignano, Maria Luisa; Marco, Cinzia De

    2004-01-01

    Pipeline defects are dislocations that connect the source region of the transistor with the drain region. They were widely reported to occur in CMOS, BiCMOS devices and recently in SOI technologies. They can reduce device yield either by affecting the devices functionality or by increasing the current consumption under stand-by conditions. In this work the electrical fingerprint of these dislocations is studied, its purpose is to enable us to identify these defects as the ones responsible for device failure. It is shown that the pipeline defects are responsible for a leakage current from source to drain in the transistors. This leakage has a resistive characteristic and it is lightly modulated by the body bias. It is not sensitive to temperature; vice versa the off-current of a good transistor exhibits the well-known exponential dependence on 1/T. The emission spectrum of these defects was studied and compared with the spectrum of a good transistor. The paper aims to show that the spectrum of a defective transistor is quite peculiar; it shows well defined peaks, whereas the spectrum of a good transistor under saturation conditions is characterized by a broad spectral light emission distribution. Finally the deep-level transient spectroscopy (DLTS) is tried on defective diodes

  2. Intrinsic defects in 3D printed materials

    OpenAIRE

    Bolton, Christopher; Dagastine, Raymond

    2015-01-01

    We discuss the impact of bulk structural defects on the coherence, phase and polarisation of light passing through transparent 3D printed materials fabricated using a variety of commercial print technologies.

  3. Single ventricle cardiac defect

    International Nuclear Information System (INIS)

    Eren, B.; Turkmen, N.; Fedakar, R.; Cetin, V.

    2010-01-01

    Single ventricle heart is defined as a rare cardiac abnormality with a single ventricle chamber involving diverse functional and physiological defects. Our case is of a ten month-old baby boy who died shortly after admission to the hospital due to vomiting and diarrhoea. Autopsy findings revealed cyanosis of finger nails and ears. Internal examination revealed; large heart, weighing 60 grams, single ventricle, without a septum and upper membranous part. Single ventricle is a rare pathology, hence, this paper aims to discuss this case from a medico-legal point of view. (author)

  4. Formation and evolution of point defects created in alkali halogen compounds irradiated by heavy ions; Formation et evolution des defauts ponctuels crees dans certains halogenures alcalins irradies par des ions lourds

    Energy Technology Data Exchange (ETDEWEB)

    Hourdequin, E [Nantes Univ., 44 (France)

    1993-07-16

    The goal of this study was to achieve a better understanding of the heavy-ion material interaction. Alkali halogen crystals were chosen since the color centers produced by heavy ions can be distinguished easier from those generated by X rays. Measurements on KI irradiated at low temperature showed that the usual process of non radiative de-excitation of self-captured exciton is not prevailing. As the main objective of this work was the exact determination of the defects created by accelerated heavy ions, an important effort was dedicated to the spectrum deconvolution. Due to the high quality of the obtained spectra the V band analyse was possible. The defect stability was found to have the same nature in all the cubical alkali halogens and depend essentially on the crystal type. The defect evolution after irradiation is related to the diffusion coefficients corresponding to each mobile species and to the crystal lattice in which they move. Based on measurements made at different temperatures a simple modeling of the recombination kinetics was proposed. This effect was found to be specific to irradiation by heavy ions. It is difficult to determine the initial processes from the fossil defects, so, the defect history must be known as the described investigation methods do not permit to establish the transient aspect of defect creation. The important role of impurities should be stressed as the third intruder in the ion/crystal configuration; it can modify significantly the final state of the irradiated crystal, as it was found in KI, for instance. The open problems underlined in this study will probably be solved by using the atomic force microscopy and diffraction or on-line Raman measurements in ISOC chamber to avoid the passage to ambient conditions of the crystals irradiated at low temperatures 60 refs.

  5. Dual approaches for defects condensation

    Energy Technology Data Exchange (ETDEWEB)

    Rougemont, Romulo; Grigorio, Leonardo de Souza; Wotzasek, Clovis [Universidade Federal do Rio de Janeiro (UFRJ), RJ (Brazil); Guimaraes, Marcelo Santos [Universidade do Estado do Rio de Janeiro (UERJ), RJ (Brazil)

    2009-07-01

    Full text. Due to the fact that the QCD running coupling constant becomes larger as we go into the low energy (or large distance) limit of the theory, a perturbative treatment of its infrared (IR) region is impossible. In particular, a formal mathematical demonstration of color confinement and a complete physical understanding of the exact mechanism that confines quarks and gluons are two missing points in our current knowledge of the IR-QCD. It was known that due to the Meissner effect of expulsion of magnetic fields in a electric condensate that usual superconductors should confine magnetic monopoles. That point led to the conjecture that the QCD vacuum could be a condensate of chromomagnetic monopoles, a dual superconductor (DSC). Such a chromomagnetic condensate should be responsible for the dual Meissner effect which is expected to lead to the confinement of color charges immersed in this medium. In dual superconductor models of color confinement, magnetic monopoles appear as topological defects in points of the space where the abelian projection becomes singular. Also, condensation of other kinds of defects such as vortices in superfluids and line-like defects in solids are responsible for a great variety of phase transitions, which once more proves the relevance of the subject. In the present work we review two methods that allow us to approach the condensation of defects: the Kleinert Mechanism (KM) and the Julia-Toulouse Mechanism (JTM). We show that in the limit where the vortex gauge field goes to zero, which we identify as the signature of the condensation of defects in the dual picture, these are two equivalent dual prescriptions for obtaining an effective theory for a phase where defects are condensed, starting from the fundamental theory defined in the normal phase where defects are diluted. (author)

  6. Benign gastric filling defect

    International Nuclear Information System (INIS)

    Oh, K. K.; Lee, Y. H.; Cho, O. K.; Park, C. Y.

    1979-01-01

    The gastric lesion is a common source of complaints to Orientals, however, evaluation of gastric symptoms and laboratory examination offer little specific aid in the diagnosis of gastric diseases. Thus roentgenography of gastrointestinal tract is one of the most reliable method for detail diagnosis. On double contract study of stomach, gastric filling defect is mostly caused by malignant gastric cancer, however, other benign lesions can cause similar pictures which can be successfully treated by surgery. 66 cases of benign causes of gastric filling defect were analyzed at this point of view, which was verified pathologically by endoscope or surgery during recent 7 years in Yensei University College of Medicine, Severance Hospital. The characteristic radiological picture of each disease was discussed for precise radiologic diagnosis. 1. Of total 66 cases, there were 52 cases of benign gastric tumor 10 cases of gastric varices, 5 cases of gastric bezoar, 5 cases of corrosive gastritis, 3 cases of granulomatous disease and one case of gastric hematoma. 2. The most frequent causes of benign tumors were adenomatous polyp (35/42) and the next was leiomyoma (4/42). Others were one of case of carcinoid, neurofibroma and cyst. 3. Characteristic of benign adenomatous polyp were relatively small in size, smooth surface and were observed that large size, benign polyp was frequently type IV lesion with a stalk. 4. Submucosal tumors such as leiomyoma needed differential diagnosis with polypoid malignant cancer. However, the characteristic points of differentiation was well circumscribed smooth margined filling defect without definite mucosal destruction on surface. 5. Gastric varices showed multiple lobulated filling defected especially on gastric fundus that changed its size and shape by respiration and posture of patients. Same varices lesions on esophagus and history of liver disease were helpful for easier diagnosis. 6. Gastric bezoar showed well defined movable mass

  7. Benign gastric filling defect

    Energy Technology Data Exchange (ETDEWEB)

    Oh, K. K.; Lee, Y. H.; Cho, O. K.; Park, C. Y. [Yonsei University College of Medicine, Seoul (Korea, Republic of)

    1979-06-15

    The gastric lesion is a common source of complaints to Orientals, however, evaluation of gastric symptoms and laboratory examination offer little specific aid in the diagnosis of gastric diseases. Thus roentgenography of gastrointestinal tract is one of the most reliable method for detail diagnosis. On double contract study of stomach, gastric filling defect is mostly caused by malignant gastric cancer, however, other benign lesions can cause similar pictures which can be successfully treated by surgery. 66 cases of benign causes of gastric filling defect were analyzed at this point of view, which was verified pathologically by endoscope or surgery during recent 7 years in Yensei University College of Medicine, Severance Hospital. The characteristic radiological picture of each disease was discussed for precise radiologic diagnosis. 1. Of total 66 cases, there were 52 cases of benign gastric tumor 10 cases of gastric varices, 5 cases of gastric bezoar, 5 cases of corrosive gastritis, 3 cases of granulomatous disease and one case of gastric hematoma. 2. The most frequent causes of benign tumors were adenomatous polyp (35/42) and the next was leiomyoma (4/42). Others were one of case of carcinoid, neurofibroma and cyst. 3. Characteristic of benign adenomatous polyp were relatively small in size, smooth surface and were observed that large size, benign polyp was frequently type IV lesion with a stalk. 4. Submucosal tumors such as leiomyoma needed differential diagnosis with polypoid malignant cancer. However, the characteristic points of differentiation was well circumscribed smooth margined filling defect without definite mucosal destruction on surface. 5. Gastric varices showed multiple lobulated filling defected especially on gastric fundus that changed its size and shape by respiration and posture of patients. Same varices lesions on esophagus and history of liver disease were helpful for easier diagnosis. 6. Gastric bezoar showed well defined movable mass

  8. Benign gastric filling defect

    Energy Technology Data Exchange (ETDEWEB)

    Oh, K K; Lee, Y H; Cho, O K; Park, C Y [Yonsei University College of Medicine, Seoul (Korea, Republic of)

    1979-06-15

    The gastric lesion is a common source of complaints to Orientals, however, evaluation of gastric symptoms and laboratory examination offer little specific aid in the diagnosis of gastric diseases. Thus roentgenography of gastrointestinal tract is one of the most reliable method for detail diagnosis. On double contract study of stomach, gastric filling defect is mostly caused by malignant gastric cancer, however, other benign lesions can cause similar pictures which can be successfully treated by surgery. 66 cases of benign causes of gastric filling defect were analyzed at this point of view, which was verified pathologically by endoscope or surgery during recent 7 years in Yensei University College of Medicine, Severance Hospital. The characteristic radiological picture of each disease was discussed for precise radiologic diagnosis. 1. Of total 66 cases, there were 52 cases of benign gastric tumor 10 cases of gastric varices, 5 cases of gastric bezoar, 5 cases of corrosive gastritis, 3 cases of granulomatous disease and one case of gastric hematoma. 2. The most frequent causes of benign tumors were adenomatous polyp (35/42) and the next was leiomyoma (4/42). Others were one of case of carcinoid, neurofibroma and cyst. 3. Characteristic of benign adenomatous polyp were relatively small in size, smooth surface and were observed that large size, benign polyp was frequently type IV lesion with a stalk. 4. Submucosal tumors such as leiomyoma needed differential diagnosis with polypoid malignant cancer. However, the characteristic points of differentiation was well circumscribed smooth margined filling defect without definite mucosal destruction on surface. 5. Gastric varices showed multiple lobulated filling defected especially on gastric fundus that changed its size and shape by respiration and posture of patients. Same varices lesions on esophagus and history of liver disease were helpful for easier diagnosis. 6. Gastric bezoar showed well defined movable mass

  9. Facts about Birth Defects

    Science.gov (United States)

    ... label> Information For… Media Policy Makers Facts about Birth Defects Language: English (US) Español (Spanish) Recommend on ... having a baby born without a birth defect. Birth Defects Are Common Every 4 ½ minutes, a ...

  10. Neural Tube Defects

    Science.gov (United States)

    Neural tube defects are birth defects of the brain, spine, or spinal cord. They happen in the ... that she is pregnant. The two most common neural tube defects are spina bifida and anencephaly. In ...

  11. Detection of paint polishing defects

    Science.gov (United States)

    Rebeggiani, S.; Wagner, M.; Mazal, J.; Rosén, B.-G.; Dahlén, M.

    2018-06-01

    Surface finish plays a major role on perceived product quality, and is the first thing a potential buyer sees. Today end-of-line repairs of the body of cars and trucks are inevitably to secure required surface quality. Defects that occur in the paint shop, like dust particles, are eliminated by manual sanding/polishing which lead to other types of defects when the last polishing step is not performed correctly or not fully completed. One of those defects is known as ‘polishing roses’ or holograms, which are incredibly hard to detect in artificial light but are clearly visible in sunlight. This paper will present the first tests with a measurement set-up newly developed to measure and analyse polishing roses. The results showed good correlations to human visual evaluations where repaired panels were estimated based on the defects’ intensity, severity and viewing angle.

  12. Determination of defect content and defect profile in semiconductor heterostructures

    International Nuclear Information System (INIS)

    Zubiaga, A; Garcia, J A; Plazaola, F; Zuniga-Perez, J; Munoz-Sanjose, V

    2011-01-01

    In this article we present an overview of the technique to obtain the defects depth profile and width of a deposited layer and multilayer based on positron annihilation spectroscopy. In particular we apply the method to ZnO and ZnO/ZnCdO layers deposited on sapphire substrates. After introducing some terminology we first calculate the trend that the W/S parameters of the Doppler broadening measurements must follow, both in a qualitative and quantitative way. From this point we extend the results to calculate the width and defect profiles in deposited layer samples.

  13. Determination of defect content and defect profile in semiconductor heterostructures

    Energy Technology Data Exchange (ETDEWEB)

    Zubiaga, A [Laboratory of Physics, HUT, PO Box 1100, 02015 TKK, Espoo (Finland); Garcia, J A; Plazaola, F [Zientzia eta Teknologia Fakultatea, Euskal Herriko Unbertsitatea, P. K. 644, 48080, Bilbao (Spain); Zuniga-Perez, J; Munoz-Sanjose, V, E-mail: fernando.plazaola@ehu.es [Universitat de Valencia, Departamento de Fisica Aplicada i Electromagnetisme, Dr. Moliner 50, 46100 Burjassot, Valencia (Spain)

    2011-01-10

    In this article we present an overview of the technique to obtain the defects depth profile and width of a deposited layer and multilayer based on positron annihilation spectroscopy. In particular we apply the method to ZnO and ZnO/ZnCdO layers deposited on sapphire substrates. After introducing some terminology we first calculate the trend that the W/S parameters of the Doppler broadening measurements must follow, both in a qualitative and quantitative way. From this point we extend the results to calculate the width and defect profiles in deposited layer samples.

  14. Properties of point defects either native or induced by irradiation in the 3C and 6H polytypes of silicon carbide determined by positron annihilation and EPR; Proprietes des defauts ponctuels natifs et induits par irradiation dans les polytypes 3C et 6H du carbure de silicium determinees par annihilation de positons et RPE

    Energy Technology Data Exchange (ETDEWEB)

    Kerbiriou, X

    2006-02-15

    Potential applications of silicon carbide (SiC) in micro-electronics have justified many studies on point defects, which play an important role in the electrical compensation. Moreover, this material has many assets to take part in the fissile materials confining in the gas cooled reactors of the future (4. generation). In this thesis, we have used Electronic Paramagnetic Resonance and Positron Annihilation Spectroscopy to study the properties of point defects (nature, size, charge state, migration and agglomeration during annealing), either native or induced by irradiation with various particles (H{sup +}, e{sup -}, carbon ions), in the 3C and 6H polytypes of SiC. The positron annihilation study of native defects in 6H-SiC has shown the presence of a strong concentration of non-vacancy traps of acceptor type, which are not present in the 3C-SiC crystals. The nature of the defects detected after irradiation with low energy electrons (190 keV) depends on the polytype. Indeed, while silicon Frenkel pairs and carbon mono-vacancies are detected in the 6H crystals, only carbon mono-vacancies are detected in the 3C crystals. We propose that these differences concerning the populations of detected point defects result from different values of the silicon displacement threshold energy for the two polytypes (approximately 20 eV for 6H and 25 V for 3C). In addition, the irradiations with 12 MeV protons and 132 MeV carbon ions have created silicon mono-vacancies as well as VSi-VC di-vacancies. Neither the particle (protons or ions carbon), nor the polytype (3C or 6H) influence the nature of the generated defects. Finally the study of the annealing of 6H-SiC monocrystals irradiated with 12 MeV protons have revealed several successive processes. The most original result is the agglomeration of the silicon mono-vacancies with the VSi-VC di-vacancies which leads to the formation of VSi-VC-VSi tri-vacancies. (author)

  15. The role of defects in laser damage of multilayer coatings

    International Nuclear Information System (INIS)

    Kozlowski, M.R.; Chow, R.

    1993-01-01

    Laser induced damage to optical coatings is generally a localized phenomenon associated with coating defects. The most common of the defect types are the well-known nodule defect. This paper reviews the use of experiments and modeling to understand the formation of these defects and their interaction with laser light. Of particular interest are efforts to identify which defects are most susceptible to laser damage. Also discussed are possible methods for stabilizing these defects (laser conditioning) or preventing their initiation (source stabilization, spatter particle trapping)

  16. Defect-impurity interactions in ion-implanted metals

    International Nuclear Information System (INIS)

    Turos, A.

    1986-01-01

    An overview of defect-impurity interactions in metals is presented. When point defects become mobile they migrate towards the sinks and on the way can be captured by impurity atoms forming stable associations so-called complexes. In some metallic systems complexes can also be formed athermally during ion implantation by trapping point defects already in the collision cascade. An association of a point defect with an impurity atom leads to its displacement from the lattice site. The structure and stability of complexes are strongly temperature dependent. With increasing temperature they dissociate or grow by multiple defect trapping. The appearance of freely migrating point defects at elevated temperatures, due to ion bombardment or thermal annealing, causes via coupling with defect fluxes, important impurity redistribution. Because of the sensitivity of many metal-in-metal implanted systems to radiation damage the understanding of this processes is essential for a proper interpretation of the lattice occupancy measurements and the optimization of implantation conditions. (author)

  17. Historical overview of the synchrotron radiation research in Japan. From the view point of creative works in the development of light sources and related technology

    International Nuclear Information System (INIS)

    Kamitsubo, Hiromichi

    2007-01-01

    Synchrotron radiation research in Japan started in early 1960's when the first electron synchrotron was commissioned at the Institute of Nuclear Study (INS), University of Tokyo (UT). This review covers the parasite use of the INS electron synchrotron and research works done at the light sources in Japan such as SOR-RING, Photon Factory (KEK-PF) Accumulator Ring (KEK-AR), and SPring-8. History of synchrotron radiation research in Japan was overviewed by paying attention to the creative works in the development of light sources and related technology, as well as the pioneering works on the development of experimental techniques and methods. At present there are more than ten synchrotron radiation sources are in operation and the number of their users, especially users from industries in Japan is increasing very rapidly and the research fields of users are also developing. Accordingly the synchrotron radiation facility becomes more and more indispensable facility in the society in Japan. (author)

  18. Theory of Defects in Semiconductors

    CERN Document Server

    Drabold, David A

    2007-01-01

    Semiconductor science and technology is the art of defect engineering. The theoretical modeling of defects has improved dramatically over the past decade. These tools are now applied to a wide range of materials issues: quantum dots, buckyballs, spintronics, interfaces, amorphous systems, and many others. This volume presents a coherent and detailed description of the field, and brings together leaders in theoretical research. Today's state-of-the-art, as well as tomorrow’s tools, are discussed: the supercell-pseudopotential method, the GW formalism,Quantum Monte Carlo, learn-on-the-fly molecular dynamics, finite-temperature treatments, etc. A wealth of applications are included, from point defects to wafer bonding or the propagation of dislocation.

  19. Magnetoencephalography signals are influenced by skull defects.

    Science.gov (United States)

    Lau, S; Flemming, L; Haueisen, J

    2014-08-01

    Magnetoencephalography (MEG) signals had previously been hypothesized to have negligible sensitivity to skull defects. The objective is to experimentally investigate the influence of conducting skull defects on MEG and EEG signals. A miniaturized electric dipole was implanted in vivo into rabbit brains. Simultaneous recording using 64-channel EEG and 16-channel MEG was conducted, first above the intact skull and then above a skull defect. Skull defects were filled with agar gels, which had been formulated to have tissue-like homogeneous conductivities. The dipole was moved beneath the skull defects, and measurements were taken at regularly spaced points. The EEG signal amplitude increased 2-10 times, whereas the MEG signal amplitude reduced by as much as 20%. The EEG signal amplitude deviated more when the source was under the edge of the defect, whereas the MEG signal amplitude deviated more when the source was central under the defect. The change in MEG field-map topography (relative difference measure, RDM(∗)=0.15) was geometrically related to the skull defect edge. MEG and EEG signals can be substantially affected by skull defects. MEG source modeling requires realistic volume conductor head models that incorporate skull defects. Copyright © 2013 International Federation of Clinical Neurophysiology. Published by Elsevier Ireland Ltd. All rights reserved.

  20. Fibrous metaphyseal defects

    International Nuclear Information System (INIS)

    Hajek, P.C.; Ritschi, P.; Kramer, J.; Imhof, H.; Karnel, F.

    1988-01-01

    Eighty-two patients (107 fibrous metaphyseal defects [FMDs]) were investigated with standard radiography and MR imaging (N = 15). Twenty-two of these were followed up sequentially up to 10 years (mean, 7.3 years). Histologic studies proved that FMDs originate at the site of insertion of a tendon in the perichondrium of the epiphyseal cartilage. After normal bone growth is regained, all FMDs were found to move diaphysically, following a straight line parallel to the long axis of the FMDs. This line pointed to the insertion of the tendon originally involved, a fact that was proved with MR imaging. Four characteristic stages were found to define a typical radiomorphologic course of an FMD