WorldWideScience

Sample records for obscured structural defects

  1. 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

  2. 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

  3. Electronic structure of defects in semiconductor heterojunctions

    International Nuclear Information System (INIS)

    Haussy, Bernard; Ganghoffer, Jean Francois

    2002-01-01

    Full text.heterojunctions and semiconductors and superlattices are well known and well used by people interested in optoelectronics communications. Components based on the use of heterojunctions are interesting for confinement of light and increase of quantum efficiency. An heterojunction is the contact zone between two different semiconductors, for example GaAs and Ga 1-x Al x As. Superlattices are a succession of heterojunctions (up to 10 or 20). These systems have been the subjects of many experiments ao analyse the contact between semiconductors. They also have been theoretically studied by different types of approach. The main result of those studies is the prediciton of band discontinuities. Defects in heterojunctions are real traps for charge carriers; they can affect the efficiency of the component decreasing the currents and the fluxes in it. the knowledge of their electronic structure is important, a great density of defects deeply modifies the electronic structure of the whole material creating real new bands of energy in the band structure of the component. in the first part of this work, we will describe the heterostructure and the defect in terms of quantum wells and discrete levels. This approach allows us to show the role of the width of the quantum well describing the structure but induces specific behaviours due to the one dimensional modelling. Then a perturbative treatment is proposed using the Green's functions formalism. We build atomic chains with different types of atoms featuring the heterostructure and the defect. Densities of states of a structure with a defect and levels associated to the defect are obtained. Results are comparable with the free electrons work, but the modelling do not induce problems due to a one dimensional approach. To extend our modelling, a three dimensions approach, based on a cavity model, is investigated. The influence of the defect, - of hydrogenoid type - introduced in the structure, is described by a cavity

  4. Defect structure of electrodeposited chromium layers

    International Nuclear Information System (INIS)

    Marek, T.; Suevegh, K.; Vertes, A.; El-Sharif, M.; McDougall, J.; Chisolm, C.U.

    2000-01-01

    Positron annihilation spectroscopy was applied to study the effects of pre-treatment and composition of substrates on the quality and defect structure of electrodeposited thick chromium coatings. The results show that both parameters are important, and a scenario is proposed why the mechanically polished substrate gives more defective film than the electro polished one.

  5. Defect structure of electrodeposited chromium layers

    Energy Technology Data Exchange (ETDEWEB)

    Marek, T. E-mail: marek@para.chem.elte.hu; Suevegh, K.; Vertes, A.; El-Sharif, M.; McDougall, J.; Chisolm, C.U

    2000-06-01

    Positron annihilation spectroscopy was applied to study the effects of pre-treatment and composition of substrates on the quality and defect structure of electrodeposited thick chromium coatings. The results show that both parameters are important, and a scenario is proposed why the mechanically polished substrate gives more defective film than the electro polished one.

  6. Defect structure in proton-irradiated copper and nickel

    International Nuclear Information System (INIS)

    Tsukuda, Noboru; Ehrhart, P.; Jaeger, W.; Schilling, W.; Dworschak, F.; Gadalla, A.A.

    1987-01-01

    This single crystals of copper or nickel with a thickness of about 10 μm are irradiated with 3 MeV protons at room temperature and the structures of resultant defects are investigated based on measurements of the effects of irradiation on the electrical resistivity, length, lattice constants, x-ray diffraction line profile and electron microscopic observations. The measurements show that the electrical resistivity increases with irradiation dose, while leveling off at high dose due to overlapping of irradiation cascades. The lattice constants decreases, indicating that many vacancies still remain while most of the interstitial stoms are eliminated, absorbed or consumed for dislocation loop formation. The x-ray line profile undergoes broadening, which is the result of dislocation loops, dislocation networks and SFT's introduced by the proton irradiation. Various defects have different effects though they cannot be identified separately from the profile alone. A satellite peak appears at a low angle, which seems to arise from periodic defect structures that are found in electron microscopic observations. In both copper and nickel, such periodic defect structures are seen over a wide range from high to low dose. Defect-free and defect-rich domains (defect walls), 0.5 to several μm in size, are alingned parallel to the {001} plane at intervals of 60 nm. The defect walls, which consist of dislocations, dislocation loops and SFT's, is 20 - 40 nm thick. (Nogami, K.)

  7. Subsurface defects structural evolution in nano-cutting of single crystal copper

    International Nuclear Information System (INIS)

    Wang, Quanlong; Bai, Qingshun; Chen, Jiaxuan; Sun, Yazhou; Guo, Yongbo; Liang, Yingchun

    2015-01-01

    Highlights: • An innovative analysis method is adopted to analyze nano-cutting process accurately. • A characteristic SFT and stair-rod dislocation are found in subsurface defect layer. • The formation mechanism of stair-rod dislocation is investigated. • The local atomic structure of subsurface defects is introduced. - Abstract: In this work, molecular dynamics simulation is performed to study the subsurface defects structural distribution and its evolution during nano-cutting process of single crystal copper. The formation mechanism of chip and machined surface is interviewed by analyzing the dislocation evolution and atomic migration. The centro-symmetry parameter and spherical harmonics method are adopted to characterize the distribution and evolution of the subsurface defect structures and local atomic structures. The results show that stacking faults, dislocation loops, “V-shaped” dislocation loops, and plenty of point defects are formed during the machined surface being formed in shear-slip zone. In subsurface damage layers, stair-rod dislocation, stacking fault tetrahedra, atomic cluster defect, and vacancy defect are formed. And the formation mechanism of stair-rod dislocation is investigated by atomic-scale structure evolution. The local atomic structures of subsurface defects are icosahedrons, hexagonal close packed, body-centered cubic, and defect face center cubic, and the variations of local atomic structures are investigated

  8. Subsurface defects structural evolution in nano-cutting of single crystal copper

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Quanlong [School of Mechatronics Engineering, Harbin Institute of Technology, Harbin 150001 (China); Center for Precision Engineering, Harbin Institute of Technology, Harbin 150001 (China); Bai, Qingshun [School of Mechatronics Engineering, Harbin Institute of Technology, Harbin 150001 (China); Chen, Jiaxuan, E-mail: wangquanlong0@hit.edu.cn [Center for Precision Engineering, Harbin Institute of Technology, Harbin 150001 (China); Sun, Yazhou [School of Mechatronics Engineering, Harbin Institute of Technology, Harbin 150001 (China); Guo, Yongbo [Center for Precision Engineering, Harbin Institute of Technology, Harbin 150001 (China); Liang, Yingchun [School of Mechatronics Engineering, Harbin Institute of Technology, Harbin 150001 (China)

    2015-07-30

    Highlights: • An innovative analysis method is adopted to analyze nano-cutting process accurately. • A characteristic SFT and stair-rod dislocation are found in subsurface defect layer. • The formation mechanism of stair-rod dislocation is investigated. • The local atomic structure of subsurface defects is introduced. - Abstract: In this work, molecular dynamics simulation is performed to study the subsurface defects structural distribution and its evolution during nano-cutting process of single crystal copper. The formation mechanism of chip and machined surface is interviewed by analyzing the dislocation evolution and atomic migration. The centro-symmetry parameter and spherical harmonics method are adopted to characterize the distribution and evolution of the subsurface defect structures and local atomic structures. The results show that stacking faults, dislocation loops, “V-shaped” dislocation loops, and plenty of point defects are formed during the machined surface being formed in shear-slip zone. In subsurface damage layers, stair-rod dislocation, stacking fault tetrahedra, atomic cluster defect, and vacancy defect are formed. And the formation mechanism of stair-rod dislocation is investigated by atomic-scale structure evolution. The local atomic structures of subsurface defects are icosahedrons, hexagonal close packed, body-centered cubic, and defect face center cubic, and the variations of local atomic structures are investigated.

  9. "Cet obscur objet du Désir"

    Directory of Open Access Journals (Sweden)

    Reto Melchior

    1996-09-01

    Full Text Available Luis Bunuel’s last film is based on Pierre Louÿs’ La Femme et le Pantin. This now forgotten bestseller, published in 1898, is drawn from Goya s painting El Pelele, in which four women are playing with a male puppet. In Pierre Louÿs’ novel this scene is inverted so that one woman with two faces plays with four men. In Cet Obscur Objet du Désir this “femme fatale” is interpreted by two actresses. The concentric structure of the film puts focus on a scene of being excluded from knowing. The technique of continually interrupting the flash-back sequences frustrates the audience because of its exclusion from the “real” course of events and gives rise to doubts whether the male protagonist tells the truth about his love-affair or whether he satisfies the curiosity of the audience by telling them Pierre Louÿs’ novel as his own story. This ambiguous art of narration mirrors Bunuel’s claim that the main topic of Cet Obscur Objet du Désir is frustration.

  10. Electron spin resonance signal from a tetra-interstitial defect in silicon

    CERN Document Server

    Mchedlidze, T

    2003-01-01

    The Si-B3 electron spin resonance (ESR) signal from agglomerates of self-interstitials was detected for the first time in hydrogen-doped float-zone-grown silicon samples subjected to annealing after electron irradiation. Previously this signal had been detected only in neutron- or proton-irradiated silicon samples. The absence of obscuring ESR peaks for the investigated samples at applied measurement conditions allowed an investigation of the hyperfine structure of the Si-B3 spectra. The analysis supports assignment of a tetra-interstitial defect as the origin of the signal.

  11. Defect Structure of Localized Excitons in a WSe2 Monolayer

    KAUST Repository

    Zhang, Shuai

    2017-07-26

    The atomic and electronic structure of intrinsic defects in a WSe2 monolayer grown on graphite was revealed by low temperature scanning tunneling microscopy and spectroscopy. Instead of chalcogen vacancies that prevail in other transition metal dichalcogenide materials, intrinsic defects in WSe2 arise surprisingly from single tungsten vacancies, leading to the hole (p-type) doping. Furthermore, we found these defects to dominate the excitonic emission of the WSe2 monolayer at low temperature. Our work provided the first atomic-scale understanding of defect excitons and paved the way toward deciphering the defect structure of single quantum emitters previously discovered in the WSe2 monolayer.

  12. Obscure phenomena in statistical analysis of quantitative structure-activity relationships. Part 1: Multicollinearity of physicochemical descriptors.

    Science.gov (United States)

    Mager, P P; Rothe, H

    1990-10-01

    Multicollinearity of physicochemical descriptors leads to serious consequences in quantitative structure-activity relationship (QSAR) analysis, such as incorrect estimators and test statistics of regression coefficients of the ordinary least-squares (OLS) model applied usually to QSARs. Beside the diagnosis of the known simple collinearity, principal component regression analysis (PCRA) also allows the diagnosis of various types of multicollinearity. Only if the absolute values of PCRA estimators are order statistics that decrease monotonically, the effects of multicollinearity can be circumvented. Otherwise, obscure phenomena may be observed, such as good data recognition but low predictive model power of a QSAR model.

  13. Obscurity of poetry in Paul Celan

    Directory of Open Access Journals (Sweden)

    Mauricio Mendonça Cardozo

    2012-07-01

    Full Text Available Tensioned between variations of the said and the unsaid, and between figures of light and shadow, Paul Celan's work performs a certain confrontation with the condition of silence and obscurity, breaking all at once with a certain way of making poetry and of relating to reality. In this sense, Celan's work can hardly be reduced to a kind of hermeticism, a category too vague to account for its singularity. In his work saying and silencing together articulate the tension that creates the poetic space in which the poem is inscribed. The poet himself tried to refuse the insistence of some critics on labeling his work as obscure. Despite of its fragmentary nature, the recently published manuscripts of his speech project Von der Dunkelheit des Dichterischen constitutes one of Celan’s most extensive discussions of the matter of obscurity in poetry. This paper aims at presenting the fragments of his speech project and pointing out its importance to the discussion of the notion of obscurity in Paul Celan's work.

  14. 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.

  15. Fracture mechanical evaluation of high temperature structure and creep-fatigue defect assessment

    Energy Technology Data Exchange (ETDEWEB)

    Park, Chang Gyu; Kim, Jong Bum; Lee, Jae Han

    2004-02-01

    This study proposed the evaluation procedure of high temperature structures from the viewpoint of fracture mechanics on the cylindrical structure applicable to the KALIMER, which is developed by KAERI. For the evaluation of structural integrity, linear and non-linear fracture mechanics parameters were analyzed. Parameters used in creep defect growth applicable to high temperature structure of liquid metal reactor and the evaluation codes with these parameters were analyzed. The evaluation methods of defect initiation and defect growth which were established in R5/R6 code(UK), JNC method (Japan) and RCC-MR A16(France) code were analyzed respectively. The evaluation procedure of leak before break applicable to KALIMER was preliminarily developed and proposed. As an application example of defect growth, the creep-fatigue defect growth on circumferential throughwall defect in high temperature cylindrical structure was evaluated by RCC-MR A16 and this application technology was established.

  16. Electronic structure properties of deep defects in hBN

    Science.gov (United States)

    Dev, Pratibha; Prdm Collaboration

    In recent years, the search for room-temperature solid-state qubit (quantum bit) candidates has revived interest in the study of deep-defect centers in semiconductors. The charged NV-center in diamond is the best known amongst these defects. However, as a host material, diamond poses several challenges and so, increasingly, there is an interest in exploring deep defects in alternative semiconductors such as hBN. The layered structure of hBN makes it a scalable platform for quantum applications, as there is a greater potential for controlling the location of the deep defect in the 2D-matrix through careful experiments. Using density functional theory-based methods, we have studied the electronic and structural properties of several deep defects in hBN. Native defects within hBN layers are shown to have high spin ground states that should survive even at room temperature, making them interesting solid-state qubit candidates in a 2D matrix. Partnership for Reduced Dimensional Material (PRDM) is part of the NSF sponsored Partnerships for Research and Education in Materials (PREM).

  17. Band Structure Characteristics of Nacreous Composite Materials with Various Defects

    Science.gov (United States)

    Yin, J.; Zhang, S.; Zhang, H. W.; Chen, B. S.

    2016-06-01

    Nacreous composite materials have excellent mechanical properties, such as high strength, high toughness, and wide phononic band gap. In order to research band structure characteristics of nacreous composite materials with various defects, supercell models with the Brick-and-Mortar microstructure are considered. An efficient multi-level substructure algorithm is employed to discuss the band structure. Furthermore, two common systems with point and line defects and varied material parameters are discussed. In addition, band structures concerning straight and deflected crack defects are calculated by changing the shear modulus of the mortar. Finally, the sensitivity of band structures to the random material distribution is presented by considering different volume ratios of the brick. The results reveal that the first band gap of a nacreous composite material is insensitive to defects under certain conditions. It will be of great value to the design and synthesis of new nacreous composite materials for better dynamic properties.

  18. Behind every innovative solution lies an obscure feature

    Directory of Open Access Journals (Sweden)

    Lee Spector (Fellow ISGEC

    2012-06-01

    Full Text Available The Obscure Features Hypothesis (OFH for innovation states that a two-step process undergirds almost all innovative solutions: (1 notice an infrequently observed or new (i.e., obscure feature of the problem and (2 construct an interaction involving the obscure feature that produces the desired effects to solve the problem. The OFH leads to a systematic derivation of innovation-enhancing techniques by engaging in two tasks. First, we developed a 32-category system of the types of features possessable by a physical object or material. This Feature Type Taxonomy (FTT provides a panoramic view of the space of features and assists in searches for the obscure ones. Second, we are articulating the many cognitive reasons that obscure features are overlooked and are developing countering techniques for each known reason. We present the implications and techniques of the OFH, as well as indicate how software can assist innovators in the effective use of these innovation-enhancing techniques.

  19. Graphene materials having randomly distributed two-dimensional structural defects

    Science.gov (United States)

    Kung, Harold H; Zhao, Xin; Hayner, Cary M; Kung, Mayfair C

    2013-10-08

    Graphene-based storage materials for high-power battery applications are provided. The storage materials are composed of vertical stacks of graphene sheets and have reduced resistance for Li ion transport. This reduced resistance is achieved by incorporating a random distribution of structural defects into the stacked graphene sheets, whereby the structural defects facilitate the diffusion of Li ions into the interior of the storage materials.

  20. Why i cried over thomas Hardy's - jude the obscure Why i cried over thomas Hardy's - jude the obscure

    Directory of Open Access Journals (Sweden)

    Hildrun Heinrichs

    2008-04-01

    Full Text Available 1. INTRODUCTION "Why did I cry over Jude the Obscure" seems rather a difficult question to discuss in public. But isn't it amazing, how authors manipulate their readers? How we are at their mercy to feel delighted or distressed? If this is so, we ought to ask ourselves how they do it, what their devices are. So my problem really is: what elements are there in the narrative of Jude the Obscure, that provoke a sentiment of agonizing awe, which reaches its climax under the impression of Sue's decision to chastise herself and go back to Phillotson? A second question follows: why the reader accepts such a decision, i.e. how it fits the reality and characters created in this novel. I shall therefore analyse Jude the Obscure under the following aspects: arepresentation of reality bpresentation of plot c characterization of Sue Bridehead 1. INTRODUCTION "Why did I cry over Jude the Obscure" seems rather a difficult question to discuss in public. But isn't it amazing, how authors manipulate their readers? How we are at their mercy to feel delighted or distressed? If this is so, we ought to ask ourselves how they do it, what their devices are. So my problem really is: what elements are there in the narrative of Jude the Obscure, that provoke a sentiment of agonizing awe, which reaches its climax under the impression of Sue's decision to chastise herself and go back to Phillotson? A second question follows: why the reader accepts such a decision, i.e. how it fits the reality and characters created in this novel. I shall therefore analyse Jude the Obscure under the following aspects: arepresentation of reality bpresentation of plot c characterization of Sue Bridehead

  1. Central obscuration effects on optical synthetic aperture imaging

    Science.gov (United States)

    Wang, Xue-wen; Luo, Xiao; Zheng, Li-gong; Zhang, Xue-jun

    2014-02-01

    Due to the central obscuration problem exists in most optical synthetic aperture systems, it is necessary to analyze its effects on their image performance. Based on the incoherent diffraction limited imaging theory, a Golay-3 type synthetic aperture system was used to study the central obscuration effects on the point spread function (PSF) and the modulation transfer function (MTF). It was found that the central obscuration does not affect the width of the central peak of the PSF and the cutoff spatial frequency of the MTF, but attenuate the first sidelobe of the PSF and the midfrequency of the MTF. The imaging simulation of a Golay-3 type synthetic aperture system with central obscuration proved this conclusion. At last, a Wiener Filter restoration algorithm was used to restore the image of this system, the images were obviously better.

  2. Related Structure Characters and Stability of Structural Defects in a Metallic Glass.

    Science.gov (United States)

    Niu, Xiaofeng; Feng, Shidong; Pan, Shaopeng

    2018-03-22

    Structural defects were investigated by a recently proposed structural parameter, quasi-nearest atom (QNA), in a modeled Zr 50 Cu 50 metallic glass through molecular dynamics simulations. More QNAs around an atom usually means that more defects are located near the atom. Structural analysis reveals that the spatial distribution of the numbers of QNAs displays to be clearly heterogeneous. Furthermore, QNA is closely correlated with cluster connections, especially four-atom cluster connections. Atoms with larger coordination numbers usually have less QNAs. When two atoms have the same coordination number, the atom with larger five-fold symmetry has less QNAs. The number of QNAs around an atom changes rather frequently and the change of QNAs might be correlated with the fast relaxation metallic glasses.

  3. Related Structure Characters and Stability of Structural Defects in a Metallic Glass

    Science.gov (United States)

    Niu, Xiaofeng; Feng, Shidong; Pan, Shaopeng

    2018-01-01

    Structural defects were investigated by a recently proposed structural parameter, quasi-nearest atom (QNA), in a modeled Zr50Cu50 metallic glass through molecular dynamics simulations. More QNAs around an atom usually means that more defects are located near the atom. Structural analysis reveals that the spatial distribution of the numbers of QNAs displays to be clearly heterogeneous. Furthermore, QNA is closely correlated with cluster connections, especially four-atom cluster connections. Atoms with larger coordination numbers usually have less QNAs. When two atoms have the same coordination number, the atom with larger five-fold symmetry has less QNAs. The number of QNAs around an atom changes rather frequently and the change of QNAs might be correlated with the fast relaxation metallic glasses. PMID:29565298

  4. Transfer-matrix approach for modulated structures with defects

    International Nuclear Information System (INIS)

    Kostyrko, T.

    2000-01-01

    We consider scattering of electrons by defects in a periodically modulated, quasi-one-dimensional structure, within a tight-binding model. Combining a transfer matrix method and a Green function method we derive a formula for a Landauer conductance and show its equivalence to the result of Kubo linear response theory. We obtain explicitly unperturbed lattice Green functions from their equations of motion, using the transfer matrices. We apply the presented formalism in computations of the conductance of several multiband modulated structures with defects: (a) carbon nanotubes (b) two-dimensional (2D) superlattice (c) modulated leads with 1D wire in the tunneling regime. (c) 2000 The American Physical Society

  5. Extracting and identifying concrete structural defects in GPR images

    Science.gov (United States)

    Ye, Qiling; Jiao, Liangbao; Liu, Chuanxin; Cao, Xuehong; Huston, Dryver; Xia, Tian

    2018-03-01

    Traditionally most GPR data interpretations are performed manually. With the advancement of computing technologies, how to automate GPR data interpretation to achieve high efficiency and accuracy has become an active research subject. In this paper, analytical characterizations of major defects in concrete structures, including delamination, air void and moisture in GPR images, are performed. In the study, the image features of different defects are compared. Algorithms are developed for defect feature extraction and identification. For validations, both simulation results and field test data are utilized.

  6. Interactions of structural defects with metallic impurities in multicrystalline silicon

    International Nuclear Information System (INIS)

    McHugo, S.A.; Thompson, A.C.; Hieslmair, H.

    1997-01-01

    Multicrystalline silicon is one of the most promising materials for terrestrial solar cells. It is critical to getter impurities from the material as well as inhibit contamination during growth and processing. Standard processing steps such as, phosphorus in-diffusion for p-n junction formation and aluminum sintering for backside ohmic contact fabrication, intrinsically possess gettering capabilities. These processes have been shown to improve L n values in regions of multicrystalline silicon with low structural defect densities but not in highly dislocated regions. Recent Deep Level Transient Spectroscopy (DLTS) results indirectly reveal higher concentrations of iron in highly dislocated regions while further work suggests that the release of impurities from structural defects, such as dislocations, is the rate limiting step for gettering in multicrystalline silicon. The work presented here directly demonstrates the relationship between metal impurities, structural defects and solar cell performance in multicrystalline silicon. Edge-defined Film-fed Growth (EFG) multicrystalline silicon in the as-grown state and after full solar cell processing was used in this study. Standard solar cell processing steps were carried out at ASE Americas Inc. Metal impurity concentrations and distributions were determined by use of the x-ray fluorescence microprobe (beamline 10.3.1) at the Advanced Light Source, Lawrence Berkeley National Laboratory. The sample was at atmosphere so only elements with Z greater than silicon could be detected, which includes all metal impurities of interest. Structural defect densities were determined by preferential etching and surface analysis using a Scanning Electron Microscope (SEM) in secondary electron mode. Mapped areas were exactly relocated between the XRF and SEM to allow for direct comparison of impurity and structural defect distributions

  7. Thermo-kinetic mechanisms for grain boundary structure multiplicity, thermal instability and defect interactions

    International Nuclear Information System (INIS)

    Burbery, N.J.; Das, R.; Ferguson, W.G.

    2016-01-01

    Grain boundaries (GBs) provide a source and/or a sink for crystal defects and store elastic energy due to the non-uniform atomic bonding structure of the GB core. GB structures are thermodynamically driven to transition to the lowest energy configuration possible; however to date there has been little evidence to explain why specific GB structures have a low energy state. Furthermore, there is little quantitative demonstration of the significance of physical and GB structure characteristics on the GB energy, thermal stability, and the effect of temporary local GB structure transformations on defect interactions. This paper evaluates the defect interactions and structure stability of multiple Σ5(310) GB structures in bi-crystals of pure aluminium, and systematically investigates the features at 0 K to characterise multiple metastable structures. Structure stability is evaluated by utilising unstable vacancy defects to initiate GB transformations, and using nudged elastic band simulations to quantify this with the activation energy. The emission of stable vacancy defects from the ‘stable’ and metastable grain boundaries is also evaluated in the same manner. A detailed analysis of dislocation nucleation at the atomistic scale demonstrates that local transformations of GB structure between stable and metastable intermediates can provide a mechanism to accommodate the generation of crystal defects. Kinetic (time-dependent) effects that compete with energetic driving forces for structural transformations of GBs are shown to cause a significant effect on the activation properties that may exceed the influence of GB potential energy. The results demonstrate that GB structural multiplicity can be associated with the generation and absorption of dislocations and vacancies. This paper demonstrates the suitability of atomistic simulations coupled with nudged elastic band simulations to evaluate fundamental thermodynamic properties of pure FCC metals. Overall, this paper

  8. Thermo-kinetic mechanisms for grain boundary structure multiplicity, thermal instability and defect interactions

    Energy Technology Data Exchange (ETDEWEB)

    Burbery, N.J. [Department of Mechanical Engineering, University of Auckland, Auckland 1010 (New Zealand); Das, R., E-mail: r.das@auckland.ac.nz [Department of Mechanical Engineering, University of Auckland, Auckland 1010 (New Zealand); Ferguson, W.G. [Department of Chemical and Materials Engineering, University of Auckland, Auckland 1010 (New Zealand)

    2016-08-15

    Grain boundaries (GBs) provide a source and/or a sink for crystal defects and store elastic energy due to the non-uniform atomic bonding structure of the GB core. GB structures are thermodynamically driven to transition to the lowest energy configuration possible; however to date there has been little evidence to explain why specific GB structures have a low energy state. Furthermore, there is little quantitative demonstration of the significance of physical and GB structure characteristics on the GB energy, thermal stability, and the effect of temporary local GB structure transformations on defect interactions. This paper evaluates the defect interactions and structure stability of multiple Σ5(310) GB structures in bi-crystals of pure aluminium, and systematically investigates the features at 0 K to characterise multiple metastable structures. Structure stability is evaluated by utilising unstable vacancy defects to initiate GB transformations, and using nudged elastic band simulations to quantify this with the activation energy. The emission of stable vacancy defects from the ‘stable’ and metastable grain boundaries is also evaluated in the same manner. A detailed analysis of dislocation nucleation at the atomistic scale demonstrates that local transformations of GB structure between stable and metastable intermediates can provide a mechanism to accommodate the generation of crystal defects. Kinetic (time-dependent) effects that compete with energetic driving forces for structural transformations of GBs are shown to cause a significant effect on the activation properties that may exceed the influence of GB potential energy. The results demonstrate that GB structural multiplicity can be associated with the generation and absorption of dislocations and vacancies. This paper demonstrates the suitability of atomistic simulations coupled with nudged elastic band simulations to evaluate fundamental thermodynamic properties of pure FCC metals. Overall, this paper

  9. Methods of the Detection and Identification of Structural Defects in Saturated Metallic Composite Castings

    Directory of Open Access Journals (Sweden)

    Gawdzińska K.

    2017-09-01

    Full Text Available Diagnostics of composite castings, due to their complex structure, requires that their characteristics are tested by an appropriate description method. Any deviation from the specific characteristic will be regarded as a material defect. The detection of defects in composite castings sometimes is not sufficient and the defects have to be identified. This study classifies defects found in the structures of saturated metallic composite castings and indicates those stages of the process where such defects are likely to be formed. Not only does the author determine the causes of structural defects, describe methods of their detection and identification, but also proposes a schematic procedure to be followed during detection and identification of structural defects of castings made from saturated reinforcement metallic composites. Alloys examination was conducted after technological process, while using destructive (macroscopic tests, light and scanning electron microscopy and non-destructive (ultrasonic and X-ray defectoscopy, tomography, gravimetric method methods. Research presented in this article are part of author’s work on castings quality.

  10. Investigation of defect structures in solids

    Energy Technology Data Exchange (ETDEWEB)

    Dienel, G; Hubrig, W H; Schenk, M; Syhre, H [Zentralinstitut fuer Kernforschung, Rossendorf bei Dresden (German Democratic Republic)

    1976-01-01

    Some central points of interest of research in the field of defect structures in solids dealt with at the Central Institute of Nuclear Research at Rossendorf in the last years are presented. Studies on f.c.c. and b.c.c. metals, radiation-induced phase transitions in perovskites and ion-implanted silicon are described in some detail.

  11. Study of reticular defects in V3Si (A15 structure)

    International Nuclear Information System (INIS)

    Ben Lamine, Abdelmottaleb

    1980-01-01

    The A15 crystal structure is that of superconductive compounds with high critical temperature. This research thesis aims at studying its possible reticular defects. In a first part, the author presents this structure and more particularly its crystallographic properties, reports the indexing of electronic diffraction diagrams (point diagrams and line diagrams of Kikuchi) in the case of V 3 Si. Then, after having described the sample preparation technique, the author reports the study of reticular defects by high voltage electronic microscopy on a raw V 3 Si crystal. The existence of a specific defect is highlighted and the crystallographic study of this defect is reported. It has been performed by means of computer-based simulation of contrast (TWODIS software). Results are then discussed

  12. AGN Obscuration Through Dusty Infrared Dominated Flows. 1; Radiation-Hydrodynamics Solution for the Wind

    Science.gov (United States)

    Dorodnitsyn, A.; Bisnovatyi-Kogan. G. S.; Kallman, T.

    2011-01-01

    We construct a radiation-hydrodynamics model for the obscuring toroidal structure in active galactic nuclei. In this model the obscuration is produced at parsec scale by a dense, dusty wind which is supported by infrared radiation pressure on dust grains. To find the distribution of radiation pressure, we numerically solve the 2D radiation transfer problem in a flux limited diffusion approximation. We iteratively couple the solution with calculations of stationary 1D models for the wind, and obtain the z-component of the velocity. Our results demonstrate that for AGN luminosities greater than 0.1 L(sub edd) external illumination can support a geometrically thick obscuration via outflows driven by infrared radiation pressure. The terminal velocity of marginally Compton-thin models (0.2 infrared-driven winds is a viable option for the AGN torus problem and AGN unification models. Such winds can also provide an important channel for AGN feedback.

  13. Metastable defect response in CZTSSe from admittance spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Koeper, Mark J.; Hages, Charles J.; Li, Jian V.; Levi, Dean; Agrawal, Rakesh

    2017-10-02

    Admittance spectroscopy is a useful tool used to study defects in semiconductor materials. However, metastable defect responses in non-ideal semiconductors can greatly impact the measurement and therefore the interpretation of results. Here, admittance spectroscopy was performed on Cu2ZnSn(S,Se)4 where metastable defect response is illustrated due to the trapping of injected carriers into a deep defect state. To investigate the metastable response, admittance measurements were performed under electrically and optically relaxed conditions in comparison to a device following a low level carrier-injection pretreatment. The relaxed measurement demonstrates a single capacitance signature while two capacitance signatures are observed for the device measured following carrier-injection. The deeper level signature, typically reported for kesterites, is activated by charge trapping following carrier injection. Both signatures are attributed to bulk level defects. The significant metastable response observed on kesterites due to charge trapping obscures accurate interpretation of defect levels from admittance spectroscopy and indicates that great care must be taken when performing and interpreting this measurement on non-ideal devices.

  14. Defects and defect generation in oxide layer of ion implanted silicon-silicon dioxide structures

    CERN Document Server

    Baraban, A P

    2002-01-01

    One studies mechanism of generation of defects in Si-SiO sub 2 structure oxide layer as a result of implantation of argon ions with 130 keV energy and 10 sup 1 sup 3 - 3.2 x 10 sup 1 sup 7 cm sup - sup 2 doses. Si-SiO sub 2 structures are produced by thermal oxidation of silicon under 950 deg C temperature. Investigations were based on electroluminescence technique and on measuring of high-frequency volt-farad characteristics. Increase of implantation dose was determined to result in spreading of luminosity centres and in its maximum shifting closer to boundary with silicon. Ion implantation was shown, as well, to result in increase of density of surface states at Si-SiO sub 2 interface. One proposed model of defect generation resulting from Ar ion implantation into Si-SiO sub 2

  15. Application of Ultrasonic Phased Array Technology to the Detection of Defect in Composite Stiffened-structures

    Science.gov (United States)

    Zhou, Yuan-Qi; Zhan, Li-Hua

    2016-05-01

    Composite stiffened-structure consists of the skin and stringer has been widely used in aircraft fuselage and wings. The main purpose of the article is to detect the composite material reinforced structure accurately and explore the relationship between defect formation and structural elements or curing process. Based on ultrasonic phased array inspection technology, the regularity of defects in the manufacture of composite materials are obtained, the correlation model between actual defects and nondestructive testing are established. The article find that the forming quality of deltoid area in T-stiffened structure is obviously improved by pre-curing, the defects of hat-stiffened structure are affected by the mandrel. The results show that the ultrasonic phased array inspection technology can be an effectively way for the detection of composite stiffened-structures, which become an important means to control the defects of composite and improve the quality of the product.

  16. Structural defects in cubic semiconductors characterized by aberration-corrected scanning transmission electron microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Arroyo Rojas Dasilva, Yadira; Kozak, Roksolana; Erni, Rolf; Rossell, Marta D., E-mail: marta.rossell@empa.ch

    2017-05-15

    The development of new electro-optical devices and the realization of novel types of transistors require a profound understanding of the structural characteristics of new semiconductor heterostructures. This article provides a concise review about structural defects which occur in semiconductor heterostructures on the basis of micro-patterned Si substrates. In particular, one- and two-dimensional crystal defects are being discussed which are due to the plastic relaxation of epitaxial strain caused by the misfit of crystal lattices. Besides a few selected examples from literature, we treat in particular crystal defects occurring in GaAs/Si, Ge/Si and β-SiC/Si structures which are studied by high-resolution annular dark-field scanning transmission electron microscopy. The relevance of this article is twofold; firstly, it should provide a collection of data which are of help for the identification and characterization of defects in cubic semiconductors by means of atomic-resolution imaging, and secondly, the experimental data shall provide a basis for advancing the understanding of device characteristics with the aid of theoretical modelling by considering the defective nature of strained semiconductor heterostructures. - Highlights: • The heterogeneous integration of high-quality compound semiconductors remains a challenge. • Lattice defects cause severe degradation of the semiconductor device performances. • Aberration-corrected HAADF-STEM allows atomic-scale characterization of defects. • An overview of lattice defects found in cubic semiconductors is presented. • Theoretical modelling and calculations are needed to determine the defect properties.

  17. Shallow nitrogen ion implantation: Evolution of chemical state and defect structure in titanium

    Energy Technology Data Exchange (ETDEWEB)

    Manojkumar, P.A., E-mail: manoj@igcar.gov.in [Indira Gandhi Centre for Atomic Research, Kalpakkam 603102 (India); Chirayath, V.A.; Balamurugan, A.K.; Krishna, Nanda Gopala; Ilango, S.; Kamruddin, M.; Amarendra, G.; Tyagi, A.K. [Indira Gandhi Centre for Atomic Research, Kalpakkam 603102 (India); Raj, Baldev [National Institute of Advanced Studies, Bangalore 560 012 (India)

    2016-09-15

    Highlights: • Low energy nitrogen ion implantation in titanium was studied. • Chemical and defect states were analyzed using SIMS, XPS and PAS. • SIMS and depth resolved XPS data showed good agreement. • Depth resolved defect and chemical states information were revealed. • Formation of 3 layers of defect states proposed to fit PAS results. - Abstract: Evolution of chemical states and defect structure in titanium during low energy nitrogen ion implantation by Plasma Immersion Ion Implantation (PIII) process is studied. The underlying process of chemical state evolution is investigated using secondary ion mass spectrometry and X-ray photoelectron spectroscopy. The implantation induced defect structure evolution as a function of dose is elucidated using variable energy positron annihilation Doppler broadening spectroscopy (PAS) and the results were corroborated with chemical state. Formation of 3 layers of defect state was modeled to fit PAS results.

  18. Structural defects in monocrystalline silicon: from radiation ones to growing and technological

    International Nuclear Information System (INIS)

    Gerasimenko, N.N.; Pavlyuchenko, M.N.; Dzhamanbalin, K.K.

    2001-01-01

    The systematical review of properties and conditions of radiation structures in monocrystalline silicon including own defects (elementary and complex, disordered fields) as well as defect-impurity formations is presented. The most typical examples of principle effects influence of known defects on radiation-induced processes (phase transformations, diffusion and heteration and others are considered. Experimental facts and models of silicon radiation amorphization have been analyzed in comparison of state of the radiation amorphization radiation problem of metals and alloys. The up-to-date status of the problem of the radiation defects physics are discussed, including end-of-range -, n+-, rod-like- defects. The phenomenon self-organization in crystals with defects has been considered. The examples of directed using radiation defects merged in independent trend - defects engineering - are given

  19. Identification of equilibrium and irradiation-induced defects in nuclear ceramics: electronic structure calculations of defect properties and positron annihilation characteristics

    International Nuclear Information System (INIS)

    Wiktor, Julia

    2015-01-01

    During in-pile irradiation the fission of actinide nuclei causes the creation of large amounts of defects, which affect the physical and chemical properties of materials inside the reactor, in particular the fuel and structural materials. Positron annihilation spectroscopy (PAS) can be used to characterize irradiation induced defects, empty or containing fission products. This non-destructive experimental technique involves detecting the radiation generated during electron-positron annihilation in a sample and deducing the properties of the material studied. As positrons get trapped in open volume defects in solids, by measuring their lifetime and momentum distributions of the annihilation radiation, one can obtain information on the open and the chemical environments of the defects. In this work electronic structure calculations of positron annihilation characteristics were performed using two-component density functional theory (TCDFT). To calculate the momentum distributions of the annihilation radiation, we implemented the necessary methods in the open-source ABINIT program. The theoretical results have been used to contribute to the identification of the vacancy defects in two nuclear ceramics, silicon carbide (SiC) and uranium dioxide (UO 2 ). (author) [fr

  20. Unbalanced atrioventricular septal defect: definition and decision making.

    Science.gov (United States)

    Overman, David M; Baffa, Jeanne M; Cohen, Meryl S; Mertens, Luc; Gremmels, David B; Jegatheeswaram, Anusha; McCrindle, Brian W; Blackstone, Eugene H; Morell, Victor O; Caldarone, Christopher; Williams, William G; Pizarro, Christian

    2010-04-01

    Unbalanced atrioventricular septal defect is an uncommon lesion with widely varying anatomic manifestations. When unbalance is severe, diagnosis and treatment is straightforward, directed toward single-ventricle palliation. Milder forms, however, pose a challenge to current diagnostic and therapeutic approaches. The transition from anatomies that are capable of sustaining biventricular physiology to those that cannot is obscure, resulting in uneven application of surgical strategy and excess mortality. Imprecise assessments of ventricular competence have dominated clinical decision making in this regard. Malalignment of the atrioventricular junction and its attendant derangement of inflow physiology is a critical factor in determining the feasibility of biventricular repair in the setting of unbalanced atrioventricular septal defect. The atrioventricular valve index accurately identifies unbalanced atrioventricular septal defect and also brings into focus a zone of transition from anatomies that can support a biventricular end state and those that cannot.

  1. 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.

  2. Packing defects into ordered structures

    DEFF Research Database (Denmark)

    Bechstein, R.; Kristoffersen, Henrik Høgh; Vilhelmsen, L.B.

    2012-01-01

    . With the help of density functional theory calculations we develop a complete structural model for the entire strand and demonstrate these adstructures to be more stable than an equivalent amount of bulk defects such as Ti interstitials. We argue that strands can form particularly easy on stepped surfaces......We have studied vicinal TiO2(110) surfaces by high-resolution scanning tunneling microscopy and density functional theory calculations. On TiO2 surfaces characterized by a high density of ⟨11̅ 1⟩ steps, scanning tunneling microscopy reveals a high density of oxygen-deficient strandlike adstructures...

  3. The effect of defects on structural failure: A two-criteria approach

    International Nuclear Information System (INIS)

    Dowling, A.R.; Townley, C.H.A.

    1976-01-01

    The two-criteria approach to the study of defects in structures assumes that failure occurs when the applied load reaches the lower of either a load to cause brittle failure in accordance with the theories of linear elastic fracture mechanics or a collapse load dependent on the ultimate stress of the material and the structural geometry. This simple approach is described and compared with previously published experimental results for various geometries and materials. The simplicity of this method of defect analysis lies in the fact that each criterion is sufficiently well understood to permit scaling and geometry changes to be accommodated readily. It becomes apparent that a sizeable transition region exists between the two criteria but this can be described in an expression relating the criteria. This expression adequately predicts the behaviour of cracked structures of both simple and complex geometry. A design curve for defect assessment is proposed for which it is unnecessary to consider the transition region. (author)

  4. First Trimester Influenza Vaccination and Risks for Major Structural Birth Defects in Offspring.

    Science.gov (United States)

    Kharbanda, Elyse Olshen; Vazquez-Benitez, Gabriela; Romitti, Paul A; Naleway, Allison L; Cheetham, T Craig; Lipkind, Heather S; Klein, Nicola P; Lee, Grace; Jackson, Michael L; Hambidge, Simon J; McCarthy, Natalie; DeStefano, Frank; Nordin, James D

    2017-08-01

    To examine risks for major structural birth defects in infants after first trimester inactivated influenza vaccine (IIV) exposures. In this observational study, we used electronic health data from 7 Vaccine Safety Datalink sites to examine risks for selected major structural defects in infants after maternal IIV exposure. Vaccine exposures for women with continuous insurance enrollment through pregnancy who delivered singleton live births between 2004 and 2013 were identified from standardized files. Infants with continuous insurance enrollment were followed to 1 year of age. We excluded mother-infant pairs with other exposures that potentially increased their background risk for birth defects. Selected cardiac, orofacial or respiratory, neurologic, ophthalmologic or otologic, gastrointestinal, genitourinary and muscular or limb defects were identified from diagnostic codes in infant medical records using validated algorithms. Propensity score adjusted generalized estimating equations were used to estimate prevalence ratios (PRs). We identified 52 856 infants with maternal first trimester IIV exposure and 373 088 infants whose mothers were unexposed to IIV during first trimester. Prevalence (per 100 live births) for selected major structural birth defects was 1.6 among first trimester IIV exposed versus 1.5 among unexposed mothers. The adjusted PR was 1.02 (95% CI 0.94-1.10). Organ system-specific PRs were similar to the overall PR. First trimester maternal IIV exposure was not associated with an increased risk for selected major structural birth defects in this large cohort of singleton live births. Copyright © 2017 Elsevier Inc. All rights reserved.

  5. Media Language, Clear or Obscure

    DEFF Research Database (Denmark)

    Jakobsen, Bjarne le Fevre; Ejstrup, Michael

    2015-01-01

    Abstract— Be clear, not obscure. One of the four maxims for optimal communication is that it is essential to develop proficiency in being concise and clear. The question is whether this is really a good idea in all contexts. There is some evidence to the contrary. Undoubtedly, we have many contexts...

  6. Classification of defects in honeycomb composite structure of helicopter rotor blades

    International Nuclear Information System (INIS)

    Balasko, M.; Svab, E.; Molnar, Gy.; Veres, I.

    2005-01-01

    The use of non-destructive testing methods to qualify the state of rotor blades with respect to their expected flight hours, with the aim to extend their lifetime without any risk of breakdown, is an important financial demand. In order to detect the possible defects in the composite structure of Mi-8 and Mi-24 type helicopter rotor blades used by the Hungarian Army, we have performed combined neutron- and X-ray radiography measurements at the Budapest Research Reactor. Several types of defects were detected, analysed and typified. Among the most frequent and important defects observed were cavities, holes and or cracks in the sealing elements on the interface of the honeycomb structure and the section boarders. Inhomogeneities of the resin materials (resin-rich or starved areas) at the core-honeycomb surfaces proved to be an other important point. Defects were detected at the adhesive filling, and water percolation was visualized at the sealing interfaces of the honeycomb sections. Corrosion effects, and metal inclusions have also been detected

  7. Classification of defects in honeycomb composite structure of helicopter rotor blades

    Science.gov (United States)

    Balaskó, M.; Sváb, E.; Molnár, Gy.; Veres, I.

    2005-04-01

    The use of non-destructive testing methods to qualify the state of rotor blades with respect to their expected flight hours, with the aim to extend their lifetime without any risk of breakdown, is an important financial demand. In order to detect the possible defects in the composite structure of Mi-8 and Mi-24 type helicopter rotor blades used by the Hungarian Army, we have performed combined neutron- and X-ray radiography measurements at the Budapest Research Reactor. Several types of defects were detected, analysed and typified. Among the most frequent and important defects observed were cavities, holes and/or cracks in the sealing elements on the interface of the honeycomb structure and the section boarders. Inhomogeneities of the resin materials (resin-rich or starved areas) at the core-honeycomb surfaces proved to be an other important point. Defects were detected at the adhesive filling, and water percolation was visualized at the sealing interfaces of the honeycomb sections. Corrosion effects, and metal inclusions have also been detected.

  8. CT enteroclysis in the diagnosis of obscure gastrointestinal bleeding: initial results

    International Nuclear Information System (INIS)

    Jain, T.P.; Gulati, M.S.; Makharia, G.K.; Bandhu, S.; Garg, P.K.

    2007-01-01

    Aim: To evaluate the usefulness of computed tomography (CT) enteroclysis in patients with obscure gastrointestinal (GI) bleeding. Materials and methods: In a prospective study, CT enteroclysis was performed in 21 patients (median age 50 years; range 13-71 years) with obscure GI bleeding in which the source of the bleeding could not be detected despite the patient having undergone both upper GI endoscopic and colonoscopic examinations. The entire abdomen and pelvis was examined in the arterial and venous phases using multisection CT after distending the small intestine with 2 l of 0.5% methylcellulose as a neutral enteral contrast medium and the administration of 150 ml intravenous contrast medium. Results: Adequate distension of the small intestine was achieved in 20 of the 21 (95.2%) patients. Potential causes of GI bleeding were identified in 10 of the 21 (47.6%) patients using CT enteroclysis. The cause of the bleeding could be detected nine of 14 (64.3%) patients with overt, obscure GI bleeding. However, for patients with occult, obscure GI bleeding, the cause of the bleeding was identified in only one of the seven (14.3%) patients. The lesions identified by CT enteroclysis included small bowel tumours (n = 2), small bowel intussusceptions (n = 2), intestinal tuberculosis (n = 2), and vascular lesions (n = 3). All vascular lesions were seen equally well in both the arterial and venous phases. Conclusions: The success rate in detection of the cause of bleeding using CT enteroclysis was 47.6% in patients with obscure GI bleeding. The diagnostic yield was higher in patients with overt, obscure GI bleeding than in those with occult obscure GI bleeding

  9. CT enteroclysis in the diagnosis of obscure gastrointestinal bleeding: initial results

    Energy Technology Data Exchange (ETDEWEB)

    Jain, T.P. [Department ofRadiodiagnosis, All India Institute of Medical Sciences, New Delhi (India); Gulati, M.S. [Department of Imaging, Queen Elizabeth Hospital NHS Trust, London (United Kingdom); Makharia, G.K. [Department of Gastroenterology and Human Nutrition, All India Institute of Medical Sciences, New Delhi (India)]. E-mail: govindmakharia@aiims.ac.in; Bandhu, S. [Department ofRadiodiagnosis, All India Institute of Medical Sciences, New Delhi (India); Garg, P.K. [Department of Gastroenterology and Human Nutrition, All India Institute of Medical Sciences, New Delhi (India)

    2007-07-15

    Aim: To evaluate the usefulness of computed tomography (CT) enteroclysis in patients with obscure gastrointestinal (GI) bleeding. Materials and methods: In a prospective study, CT enteroclysis was performed in 21 patients (median age 50 years; range 13-71 years) with obscure GI bleeding in which the source of the bleeding could not be detected despite the patient having undergone both upper GI endoscopic and colonoscopic examinations. The entire abdomen and pelvis was examined in the arterial and venous phases using multisection CT after distending the small intestine with 2 l of 0.5% methylcellulose as a neutral enteral contrast medium and the administration of 150 ml intravenous contrast medium. Results: Adequate distension of the small intestine was achieved in 20 of the 21 (95.2%) patients. Potential causes of GI bleeding were identified in 10 of the 21 (47.6%) patients using CT enteroclysis. The cause of the bleeding could be detected nine of 14 (64.3%) patients with overt, obscure GI bleeding. However, for patients with occult, obscure GI bleeding, the cause of the bleeding was identified in only one of the seven (14.3%) patients. The lesions identified by CT enteroclysis included small bowel tumours (n = 2), small bowel intussusceptions (n = 2), intestinal tuberculosis (n = 2), and vascular lesions (n = 3). All vascular lesions were seen equally well in both the arterial and venous phases. Conclusions: The success rate in detection of the cause of bleeding using CT enteroclysis was 47.6% in patients with obscure GI bleeding. The diagnostic yield was higher in patients with overt, obscure GI bleeding than in those with occult obscure GI bleeding.

  10. Electron beam generation and structure of defects in carbon and boron nitride nano-tubes

    Energy Technology Data Exchange (ETDEWEB)

    Zobelli, A

    2007-10-15

    The nature and role of defects is of primary importance to understand the physical properties of C and BN (boron nitride) single walled nano-tubes (SWNTs). Transmission electron microscopy (TEM) is a well known powerful tool to study the structure of defects in materials. However, in the case of SWNTs, the electron irradiation of the TEM may knock out atoms. This effect may alter the native structure of the tube, and has also been proposed as a potential tool for nano-engineering of nano-tubular structures. Here we develop a theoretical description of the irradiation mechanism. First, the anisotropy of the emission energy threshold is obtained via density functional based calculations. Then, we numerically derive the total Mott cross section for different emission sites of carbon and boron nitride nano-tubes with different chiralities. Using a dedicated STEM (Scanning Transmission Electron Microscope) microscope with experimental conditions optimised on the basis of derived cross-sections, we are able to control the generation of defects in nano-tubular systems. Either point or line defects can be obtained with a spatial resolution of a few nanometers. The structure, energetics and electronics of point and line defects in BN systems have been investigated. Stability of mono- and di- vacancy defects in hexagonal boron nitride layers is investigated, and their activation energies and reaction paths for diffusion have been derived using the nudged elastic band method (NEB) combined with density functional based techniques. We demonstrate that the appearance of extended linear defects under electron irradiation is more favorable than a random distribution of point defects and this is due to the existence of preferential sites for atom emission in the presence of pre-existing defects, rather than thermal vacancy nucleation and migration. (author)

  11. Electron beam generation and structure of defects in carbon and boron nitride nano-tubes

    International Nuclear Information System (INIS)

    Zobelli, A.

    2007-10-01

    The nature and role of defects is of primary importance to understand the physical properties of C and BN (boron nitride) single walled nano-tubes (SWNTs). Transmission electron microscopy (TEM) is a well known powerful tool to study the structure of defects in materials. However, in the case of SWNTs, the electron irradiation of the TEM may knock out atoms. This effect may alter the native structure of the tube, and has also been proposed as a potential tool for nano-engineering of nano-tubular structures. Here we develop a theoretical description of the irradiation mechanism. First, the anisotropy of the emission energy threshold is obtained via density functional based calculations. Then, we numerically derive the total Mott cross section for different emission sites of carbon and boron nitride nano-tubes with different chiralities. Using a dedicated STEM (Scanning Transmission Electron Microscope) microscope with experimental conditions optimised on the basis of derived cross-sections, we are able to control the generation of defects in nano-tubular systems. Either point or line defects can be obtained with a spatial resolution of a few nanometers. The structure, energetics and electronics of point and line defects in BN systems have been investigated. Stability of mono- and di- vacancy defects in hexagonal boron nitride layers is investigated, and their activation energies and reaction paths for diffusion have been derived using the nudged elastic band method (NEB) combined with density functional based techniques. We demonstrate that the appearance of extended linear defects under electron irradiation is more favorable than a random distribution of point defects and this is due to the existence of preferential sites for atom emission in the presence of pre-existing defects, rather than thermal vacancy nucleation and migration. (author)

  12. 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.

  13. Readability of self-illuminated signs obscured by black fuel-fire smoke.

    Science.gov (United States)

    1980-07-01

    This study, using black fuel-fire generated smoke, is a partial replication of an earlier study using an inert white smoke as the obscuring agent in the study of the readability of smoke-obscured, self-illuminated emergency exit signs. : The results ...

  14. A Design of a Terahertz Microstrip Bandstop Filter with Defected Ground Structure

    Directory of Open Access Journals (Sweden)

    Arjun Kumar

    2013-01-01

    Full Text Available A planar microstrip terahertz (THz bandstop filter has been proposed with defected ground structure with high insertion loss (S21 in a stopband of −25.8 dB at 1.436 THz. The parameters of the circuit model have been extracted from the EM simulation results. A dielectric substrate of Benzocyclobutene (BCB is used to realize a compact bandstop filter using modified hexagonal dumbbell-shape defected ground structure (DB-DGS. In this paper, a defected ground structure topology is used in a λ/4, 50 Ω microstrip line at THz frequency range for compactness. No article has been reported on the microstrip line at terahertz frequency regime using DGS topology. The proposed filter can be used for sensing and detection in biomedical instruments in DNA testing. All the simulations/cosimulations are carried out using a full-wave EM simulator CST V.9 Microwave Studio, HFSS V.10, and Agilent Design Suite (ADS.

  15. Acousto-defect interaction in irradiated and non-irradiated silicon n+-p structures

    Science.gov (United States)

    Olikh, O. Ya.; Gorb, A. M.; Chupryna, R. G.; Pristay-Fenenkov, O. V.

    2018-04-01

    The influence of ultrasound on current-voltage characteristics of non-irradiated silicon n+-p structures as well as silicon structures exposed to reactor neutrons or 60Co gamma radiation has been investigated experimentally. It has been found that the ultrasound loading of the n+-p structure leads to the reversible change of shunt resistance, carrier lifetime, and ideality factor. Specifically, considerable acoustically induced alteration of the ideality factor and the space charge region lifetime was observed in the irradiated samples. The experimental results were described by using the models of coupled defect level recombination, Shockley-Read-Hall recombination, and dislocation-induced impedance. The experimentally observed phenomena are associated with the increase in the distance between coupled defects as well as the extension of the carrier capture coefficient of complex point defects and dislocations. It has been shown that divacancies and vacancy-interstitial oxygen pairs are effectively modified by ultrasound in contrast to interstitial carbon-interstitial oxygen complexes.

  16. Visualization and automatic detection of defect distribution in GaN atomic structure from sampling Moiré phase.

    Science.gov (United States)

    Wang, Qinghua; Ri, Shien; Tsuda, Hiroshi; Kodera, Masako; Suguro, Kyoichi; Miyashita, Naoto

    2017-09-19

    Quantitative detection of defects in atomic structures is of great significance to evaluating product quality and exploring quality improvement process. In this study, a Fourier transform filtered sampling Moire technique was proposed to visualize and detect defects in atomic arrays in a large field of view. Defect distributions, defect numbers and defect densities could be visually and quantitatively determined from a single atomic structure image at low cost. The effectiveness of the proposed technique was verified from numerical simulations. As an application, the dislocation distributions in a GaN/AlGaN atomic structure in two directions were magnified and displayed in Moire phase maps, and defect locations and densities were detected automatically. The proposed technique is able to provide valuable references to material scientists and engineers by checking the effect of various treatments for defect reduction. © 2017 IOP Publishing Ltd.

  17. Defect study in ZnO related structures-A multi-spectroscopic approach

    International Nuclear Information System (INIS)

    Ling, C.C.; Cheung, C.K.; Gu, Q.L.; Dai, X.M.; Xu, S.J.; Zhu, C.Y.; Luo, J.M.; Zhu, C.Y.; Tam, K.H.; Djurisic, A.B.; Beling, C.D.; Fung, S.; Lu, L.W.; Brauer, G.; Anwand, W.; Skorupa, W.; Ong, H.C.

    2008-01-01

    ZnO has attracted a great deal of attention in recent years because of its potential applications for fabricating optoelectronic devices. Using a multi-spectroscopic approach including positron annihilation spectroscopy (PAS), deep level transient spectroscopy (DLTS), photoluminescence (PL) and X-ray photoelectron spectroscopy (XPS), we have studied the two observed phenomena from ZnO related structures. They namely included the H 2 O 2 pre-treatment induced ohmic to rectifying contact conversion on Au/n-ZnO contact and the p-type doping by nitrogen ion implantation. The aim of the studies was to offering comprehensive views as to how the defects influenced the structures electrical and optical properties of the structures. It was also shown that PAS measurement using the monoenergetic positron beam could offer valuable information of vacancy type defects in the vertical ZnO nanorod array structure

  18. Defect study in ZnO related structures-A multi-spectroscopic approach

    Energy Technology Data Exchange (ETDEWEB)

    Ling, C.C. [Department of Physics, The University of Hong Kong, Pokfulam Road, Hong Kong (China)], E-mail: ccling@hku.hk; Cheung, C.K.; Gu, Q.L.; Dai, X.M.; Xu, S.J.; Zhu, C.Y.; Luo, J.M.; Zhu, C.Y.; Tam, K.H.; Djurisic, A.B.; Beling, C.D.; Fung, S.; Lu, L.W. [Department of Physics, The University of Hong Kong, Pokfulam Road, Hong Kong (China); Brauer, G.; Anwand, W.; Skorupa, W. [Institut fuer Ionenstrahlphysik und Materialforschung, Forschungszentrum Dresden-Rossendorf, Postfach 510119, D-01314 Dresden (Germany); Ong, H.C. [Department of Physics, Chinese University of Hong Kong, Shatin, Hong Kong (China)

    2008-10-31

    ZnO has attracted a great deal of attention in recent years because of its potential applications for fabricating optoelectronic devices. Using a multi-spectroscopic approach including positron annihilation spectroscopy (PAS), deep level transient spectroscopy (DLTS), photoluminescence (PL) and X-ray photoelectron spectroscopy (XPS), we have studied the two observed phenomena from ZnO related structures. They namely included the H{sub 2}O{sub 2} pre-treatment induced ohmic to rectifying contact conversion on Au/n-ZnO contact and the p-type doping by nitrogen ion implantation. The aim of the studies was to offering comprehensive views as to how the defects influenced the structures electrical and optical properties of the structures. It was also shown that PAS measurement using the monoenergetic positron beam could offer valuable information of vacancy type defects in the vertical ZnO nanorod array structure.

  19. Plain defects and their vortex configuration in dilute Mo-B alloys in dissipative structure

    International Nuclear Information System (INIS)

    Sofronova, R.M.

    1992-01-01

    Electron microscopic study of single crystal of Mo-0.003 mas.% B alloy after zone melting and annealing at 2373 K was conducted to reveal the nature of planar defects and the role of boron in their formation. It was shown that planar defects should be considered as preprecipitations of MoB nonequilibrous phase out of molybdenum base solid solution. A planar defect was found to constitute a monolayer of boron atoms which consisted of B-B zigzag-like chains. Inturn the chains were surrounded by Mo atoms which formed hexagonal prism. The coherency of planar defects with matrix was due to close lattice parameters of Mo, β-MoB and δ-MoB. The planar defects in molybdenum base alloy were considered as elements of dissipative structure. They determined formation of supercellular dislocation structure under deformation

  20. Structure defects in malachite revealed by positron annihilation

    International Nuclear Information System (INIS)

    Geffroy, B.; Diallo, I.; Paulin, R.

    1984-01-01

    Positron lifetime is measured between 77 and 400 K in two malachite samples with different mineralogical structures. The complex spectrum found in zoned malachite reveals a microporosity which remains stable in this range of temperature. Besides, above 200 K, equilibrium defects appear. Their formation energy is estimated to be Esub(f) = 0.27 +- 0.02 eV [fr

  1. Structure defects in malachite revealed by positron annihilation

    Energy Technology Data Exchange (ETDEWEB)

    Geffroy, B; Diallo, I; Paulin, R [Institut National des Sciences et Techniques Nucleaires, CEN/Saclay, 91 - Gif-sur-Yvette (France)

    1984-01-01

    Positron lifetime is measured between 77 and 400 K in two malachite samples with different mineralogical structures. The complex spectrum found in zoned malachite reveals a microporosity which remains stable in this range of temperature. Besides, above 200 K, equilibrium defects appear. Their formation energy is estimated to be Esub(f) = 0.27 +- 0.02 eV.

  2. Stringy models of modified gravity: space-time defects and structure formation

    International Nuclear Information System (INIS)

    Mavromatos, Nick E.; Sakellariadou, Mairi; Yusaf, Muhammad Furqaan

    2013-01-01

    Starting from microscopic models of space-time foam, based on brane universes propagating in bulk space-times populated by D0-brane defects (''D-particles''), we arrive at effective actions used by a low-energy observer on the brane world to describe his/her observations of the Universe. These actions include, apart from the metric tensor field, also scalar (dilaton) and vector fields, the latter describing the interactions of low-energy matter on the brane world with the recoiling point-like space-time defect (D-particle). The vector field is proportional to the recoil velocity of the D-particle and as such it satisfies a certain constraint. The vector breaks locally Lorentz invariance, which however is assumed to be conserved on average in a space-time foam situation, involving the interaction of matter with populations of D-particle defects. In this paper we clarify the role of fluctuations of the vector field on structure formation and galactic growth. In particular we demonstrate that, already at the end of the radiation era, the (constrained) vector field associated with the recoil of the defects provides the seeds for a growing mode in the evolution of the Universe. Such a growing mode survives during the matter dominated era, provided the variance of the D-particle recoil velocities on the brane is larger than a critical value. We note that in this model, as a result of specific properties of D-brane dynamics in the bulk, there is no issue of overclosing the brane Universe for large defect densities. Thus, in these models, the presence of defects may be associated with large-structure formation. Although our string inspired models do have (conventional, from a particle physics point of view) dark matter components, nevertheless it is interesting that the role of ''extra'' dark matter is also provided by the population of massive defects. This is consistent with the weakly interacting character of the D-particle defects, which predominantly interact only

  3. Focal intestinal lymphangiectasia: An unusual cause of acute overt obscure gastrointestinal bleeding

    Directory of Open Access Journals (Sweden)

    Ashish Kumar Jha

    2014-01-01

    Full Text Available Detection of bleeding lesion in a patient of acute overt obscure gastrointestinal bleeding is a real challenge. Recently, authors have showed superiority of urgent capsule endoscopy (CE over angiography in patients with acute overt obscure gastrointestinal bleeding. Focal type of intestinal lymphangiectasia is a rare cause of acute gastrointestinal bleeding. Here, we describe a case of focal lymphangiectasia who presented to us with acute overt obscure gastrointestinal bleeding and diagnosed by urgent CE.

  4. Thermographic inspection of bond defects in Fiber Reinforced Polymer applied to masonry structures

    Science.gov (United States)

    Masini, N.; Aiello, M. A.; Capozzoli, L.; Vasanelli, E.

    2012-04-01

    Nowadays, externally bonded Fiber Reinforced Polymers (FRP) are extensively used for strengthening and repairing masonry and reinforced concrete existing structures; they have had a rapid spread in the area of rehabilitation for their many advantages over other conventional repair systems, such as lightweight, excellent corrosion and fatigue resistance, high strength, etc. FRP systems applied to masonry or concrete structures are typically installed using a wet-layup technique.The method is susceptible to cause flaws or defects in the bond between the FRP system and the substrate, which may reduce the effectiveness of the reinforcing systems and the correct transfer of load from the structure to the composite. Thus it is of primary importance to detect the presence of defects and to quantify their extension in order to eventually provide correct repair measurements. The IR thermography has been cited by the several guidelines as a good mean to qualitatively evaluate the presence of installation defects and to monitor the reinforcing system with time.The method is non-destructive and does not require contact with the composite or other means except air to detect the reinforcement. Some works in the literature have been published on this topic. Most of the researches aim at using the IR thermography technique to characterize quantitatively the defects in terms of depth, extension and type in order to have an experimental database on defect typology to evaluate the long term performances of the reinforcing system. Nevertheless, most of the works in the literature concerns with FRP applied to concrete structures without considering the case of masonry structures. In the present research artificial bond defects between FRP and the masonry substrate have been reproduced in laboratory and the IR multi temporal thermography technique has been used to detect them. Thermographic analysis has been carried out on two wall samples having limited dimensions (100 x 70 cm) both

  5. Fracture Resistance, Surface Defects and Structural Strength of Glass

    NARCIS (Netherlands)

    Rodichev, Y.M.; Veer, F.A.

    2010-01-01

    This paper poses the theory that the fracture resistance of basic float glass is dependent on it physicochemical properties and the surface defects fonned under the float glass production, glass processing and handling at the service conditions compose the aggregate basis for structural glass

  6. Study of defects and vacancies in structural properties of Mn, co-doped oxides: ZnO

    Science.gov (United States)

    Kumar, Harish; Kaushik, A.; Alvi, P. A.; Dalela, B.; Dalela, S.

    2018-05-01

    The paper deals with the Structural properties on Mn, Co doped oxides ZnO samples using XRD, Positron Annihilation Lifetime (PAL) Spectra and Raman Spectra. The Mn, Co doped ZnO samples crystallize in a wurtzite structure without any impurity phases in XRD Spectra. The defect state of these samples has been investigated by using positron annihilation lifetime (PAL) spectroscopy technique in which all the relevant lifetime parameters are measured for all the spectra. The results are explained in the direction of doping concentration in these samples in terms of defects structure on Zn lattice site VZn and oxygen defects Vo.

  7. Ab-initio study of magnetism behavior in TiO{sub 2} semiconductor with structural defects

    Energy Technology Data Exchange (ETDEWEB)

    Zarhri, Z., E-mail: z.zarhri@gmail.com; Houmad, M.; Ziat, Y.; El Rhazouani, O.; Slassi, A.; Benyoussef, A.; El Kenz, A.

    2016-05-15

    Magnetic, electronic and structural properties of titanium dioxide material with different structural defects are studied using the first-principles ab-initio calculations and the Korringa–Kohn–Rostoker method (KKR) combined with the coherent potential approximation (CPA) method in connection with the local density approximation (LDA). We investigated all structural defects in rutile TiO{sub 2} such as Titanium interstitial (Ti{sub i}), Titanium anti-sites (Ti{sub o}), Titanium vacancies (V{sub Ti}), Oxygen interstitial (O{sub i}), Oxygen anti-sites (O{sub Ti}) and oxygen vacancies (V{sub o}). Mechanisms of hybridization and interaction between magnetic atoms are investigated. The transition temperature is computed using the Mean Field Approximation (MFA).Magnetic stability energy of ferromagnetic and disordered local moment states is calculated to determine the most stable state. Titanium anti-sites have a half-metallic aspect. We also studied the change type caused by structural defects in this material. - Highlights: • Green function technique is used to study disordered systems. • We used DFT to study electronic structure of TiO{sub 2} perturbed by defects. • TiO{sub 2} with titanium antisite defect posesses a magnetic behavior. • The transition temperature is computed using the Mean Field Approximation.

  8. Transmission electron microscopy of defects and internal fields in GaN structures

    Energy Technology Data Exchange (ETDEWEB)

    Mokhtari, H

    2001-07-01

    The main aim of this study was to understand the microstructure of GaN and InGaN/GaN and to examine electric fields around the defects, and across the quantum wells by electron holography. For this reason different types of GaN and InGaN/GaN samples have been prepared and studied. Conventional transmission electron microscopy has been used for structural study of two MBE grown GaN/GaAs samples, grown at room temperature and at 340 deg C. The structure of the samples were found to be hexagonal polycrystalline in an amorphous GaN matrix, and textured hexagonal polycrystalline material respectively. The experimental results indicate that the higher growth temperature results in a more crystalline material with a higher density of bigger grain sizes. Different types of undoped and Si doped GaN/Sapphire samples were studied, with respect to the defect structure in GaN films. GaN was found to be a highly defective material with a dislocation density of 10{sup 9}/cm{sup 2}. The majority of the dislocations are edge dislocations. It has been found that nanopipes are open core screw dislocations, and the population and size of the nanopipes is proportional to the Si doping concentration. Dislocation structures were found to depend on the Si doping level in the material, with higher Si doping giving a lower density of dislocations with a more random distribution. In addition some EELS, EDX and HRTEM have been performed on the nanopipes and dislocations in order to investigate Si segregation in the defects. In MBE grown GaN/In{sub 0.1}Ga{sub 0.9}N/GaN SQWs and MQWs, V shaped defects were found to be present in the InGaN regions, which locally reduced the width of the InGaN layers. (author)

  9. Transmission electron microscopy of defects and internal fields in GaN structures

    International Nuclear Information System (INIS)

    Mokhtari, H.

    2001-07-01

    The main aim of this study was to understand the microstructure of GaN and InGaN/GaN and to examine electric fields around the defects, and across the quantum wells by electron holography. For this reason different types of GaN and InGaN/GaN samples have been prepared and studied. Conventional transmission electron microscopy has been used for structural study of two MBE grown GaN/GaAs samples, grown at room temperature and at 340 deg C. The structure of the samples were found to be hexagonal polycrystalline in an amorphous GaN matrix, and textured hexagonal polycrystalline material respectively. The experimental results indicate that the higher growth temperature results in a more crystalline material with a higher density of bigger grain sizes. Different types of undoped and Si doped GaN/Sapphire samples were studied, with respect to the defect structure in GaN films. GaN was found to be a highly defective material with a dislocation density of 10 9 /cm 2 . The majority of the dislocations are edge dislocations. It has been found that nanopipes are open core screw dislocations, and the population and size of the nanopipes is proportional to the Si doping concentration. Dislocation structures were found to depend on the Si doping level in the material, with higher Si doping giving a lower density of dislocations with a more random distribution. In addition some EELS, EDX and HRTEM have been performed on the nanopipes and dislocations in order to investigate Si segregation in the defects. In MBE grown GaN/In 0.1 Ga 0.9 N/GaN SQWs and MQWs, V shaped defects were found to be present in the InGaN regions, which locally reduced the width of the InGaN layers. (author)

  10. Tuning optical properties of opal photonic crystals by structural defects engineering

    Science.gov (United States)

    di Stasio, F.; Cucini, M.; Berti, L.; Comoretto, D.; Abbotto, A.; Bellotto, L.; Manfredi, N.; Marinzi, C.

    2009-06-01

    We report on the preparation and optical characterization of three dimensional colloidal photonic crystal (PhC) containing an engineered planar defect embedding photoactive push-pull dyes. Free standing polystyrene films having thickness between 0.6 and 3 mm doped with different dipolar chromophores were prepared. These films were sandwiched between two artificial opals creating a PhC structure with planar defect. The system was characterized by reflectance at normal incidence angle (R), variable angle transmittance (T) and photoluminescence spectroscopy (PL) Evidence of defect states were observed in T and R spectra which allow the light to propagate for selected frequencies within the pseudogap (stop band).

  11. A comparative study on defect estimation using XPS and Raman spectroscopy in few layer nanographitic structures.

    Science.gov (United States)

    Ganesan, K; Ghosh, Subrata; Gopala Krishna, Nanda; Ilango, S; Kamruddin, M; Tyagi, A K

    2016-08-10

    Defects in planar and vertically oriented nanographitic structures (NGSs) synthesized by plasma enhanced chemical vapor deposition (PECVD) have been investigated using Raman and X-ray photoelectron spectroscopy. While Raman spectra reveal the dominance of vacancy and boundary type defects respectively in vertical and planar NGSs, XPS provides additional information on vacancy related defect peaks in the C 1s spectrum, which originate from non-conjugated carbon atoms in the hexagonal lattice. Although an excellent correlation prevails between these two techniques, our results show that estimation of surface defects by XPS is more accurate than Raman analysis. Nuances of these techniques are discussed in the context of assessing defects in nanographitic structures.

  12. Influences of Stone–Wales defects on the structure, stability and electronic properties of antimonene: A first principle study

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Yonghong, E-mail: hchyh2001@tom.com [School of Nuclear Technology and Chemistry & Biology, Hubei University of Science and Technology, Xianning 437100 (China); Wu, Yunyi [Department of Energy Materials and Technology, General Research Institute for Nonferrous Metals, Beijing (China); Zhang, Shengli [Institute of Optoelectronics & Nanomaterials, Herbert Gleiter Institute of Nanoscience, College of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing 210094 (China)

    2016-12-15

    Defects are inevitably present in materials, and their existence strongly affects the fundamental physical properties of 2D materials. Here, we performed first-principles calculations to study the structural and electronic properties of antimonene with Stone–Wales defects, highlighting the differences in the structure and electronic properties. Our calculations show that the presence of a SW defect in antimonene changes the geometrical symmetry. And the band gap decreases in electronic band structure with the decrease of the SW defect concentration. The formation energy and cohesive energy of a SW defect in antimonene are studied, showing the possibility of its existence and its good stability, respectively. The difference charge density near the SW defect is explored, by which the structural deformations of antimonene are explained. At last, we calculated the STM images for the SW defective antimonene to provide more information and characters for possible experimental observation. These results may provide meaningful references to the development and design of novel nanodevices based on new 2D materials.

  13. The defect structure of ceramic high Tc superconductors

    International Nuclear Information System (INIS)

    Van Tendeloo, G.; Amelinckx, S.; Zandbergen, H.W.; Verwerft, M.

    1989-01-01

    In this paper an overview is given of electron microscopy studies on the different ceramic superconductors: YBa 2 Cu 3 O 7 , Bi(Tl)-Sr(Ba)- Ca-Cu-O and Pb 2 Sr 2 Y 0.5 Ca 0.5 Cu 3 O x . Planar defects in these materials play an important role in the superconducting properties. Their structural characteristics are discussed

  14. Defect-induced magnetic structure of CuMnSb

    Czech Academy of Sciences Publication Activity Database

    Máca, František; Kudrnovský, Josef; Drchal, Václav; Turek, I.; Stelmakhovych, O.; Beran, Přemysl; Llobet, A.; Martí, Xavier

    2016-01-01

    Roč. 94, č. 9 (2016), 1-9, č. článku 094407. ISSN 2469-9950 R&D Projects: GA ČR GB14-37427G Institutional support: RVO:68378271 ; RVO:61389005 Keywords : CuMnSb * electronic structure * defects * magnetic order * ab initio calculations * neutron diffraction analysis Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.836, year: 2016

  15. 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

  16. Charged Semiconductor Defects Structure, Thermodynamics and Diffusion

    CERN Document Server

    Seebauer, Edmund G

    2009-01-01

    The technologically useful properties of a solid often depend upon the types and concentrations of the defects it contains. Not surprisingly, defects in semiconductors have been studied for many years, in many cases with a view towards controlling their behavior through various forms of "defect engineering." For example, in the bulk, charging significantly affects the total concentration of defects that are available to mediate phenomena such as solid-state diffusion. Surface defects play an important role in mediating surface mass transport during high temperature processing steps such as epitaxial film deposition, diffusional smoothing in reflow, and nanostructure formation in memory device fabrication. Charged Semiconductor Defects details the current state of knowledge regarding the properties of the ionized defects that can affect the behavior of advanced transistors, photo-active devices, catalysts, and sensors. Features: Group IV, III-V, and oxide semiconductors; Intrinsic and extrinsic defects; and, P...

  17. Fine structure and analytical quantum-defect wave functions

    International Nuclear Information System (INIS)

    Kostelecky, V.A.; Nieto, M.M.; Truax, D.R.

    1988-01-01

    We investigate the domain of validity of previously proposed analytical wave functions for atomic quantum-defect theory. This is done by considering the fine-structure splitting of alkali-metal and singly ionized alkaline-earth atoms. The Lande formula is found to be naturally incorporated. A supersymmetric-type integer is necessary for finite results. Calculated splittings correctly reproduce the principal features of experimental values for alkali-like atoms

  18. Analyzing the defect structure of CuO-doped PZT and KNN piezoelectrics from electron paramagnetic resonance.

    Science.gov (United States)

    Jakes, Peter; Kungl, Hans; Schierholz, Roland; Eichel, Rüdiger-A

    2014-09-01

    The defect structure for copper-doped sodium potassium niobate (KNN) ferroelectrics has been analyzed with respect to its defect structure. In particular, the interplay between the mutually compensating dimeric (Cu(Nb)'''-V(O)··) and trimeric (V(O)··-Cu(Nb)'''-V(O)··)· defect complexes with 180° and non-180° domain walls has been analyzed and compared to the effects from (Cu'' - V(O)··)(x)× dipoles in CuO-doped lead zirconate titanate (PZT). Attempts are made to relate the rearrangement of defect complexes to macroscopic electromechanical properties.

  19. Role of the bond defect for structural transformations between crystalline and amorphous silicon: A molecular-dynamics study

    International Nuclear Information System (INIS)

    Stock, D. M.; Weber, B.; Gaertner, K.

    2000-01-01

    The relation between the bond defect, which is a topological defect, and structural transformations between crystalline and amorphous silicon, is studied by molecular-dynamics simulations. The investigation of 1-keV boron implantation into crystalline silicon proves that the bond defect can also be generated directly by collisional-induced bond switching in addition to its formation by incomplete recombination of primary defects. This supports the assumption that the bond defect may play an important role in the amorphization process of silicon by light ions. The analysis of the interface between (001) silicon and amorphous silicon shows that there are two typical defect configurations at the interface which result from two different orientations of the bond defect with respect to the interface. Thus the bond defect appears to be a characteristic structural feature of the interface. Moreover, annealing results indicate that the bond defect acts as a growth site for interface-mediated crystallization

  20. The most luminous heavily obscured quasars have a high merger fraction: morphological study of wise -selected hot dust-obscured galaxies

    Energy Technology Data Exchange (ETDEWEB)

    Fan, Lulu; Gao, Ying; Zhang, Dandan; Jiang, Xiaoming; Wu, Qiaoqian; Yang, Jun; Li, Zhao [Shandong Provincial Key Lab of Optical Astronomy and Solar-Terrestrial Environment, Institute of Space Science, Shandong University, Weihai 264209 (China); Han, Yunkun [Yunnan Observatories, Chinese Academy of Sciences, Kunming 650011 (China); Fang, Guanwen, E-mail: llfan@sdu.edu.cn, E-mail: hanyk@ynao.ac.cn [Institute for Astronomy and History of Science and Technology, Dali University, Dali 671003 (China)

    2016-05-10

    Previous studies have shown that Wide-field Infrared Survey Explorer -selected hyperluminous, hot dust-obscured galaxies (Hot DOGs) are powered by highly dust-obscured, possibly Compton-thick active galactic nuclei (AGNs). High obscuration provides us a good chance to study the host morphology of the most luminous AGNs directly. We analyze the host morphology of 18 Hot DOGs at z ∼ 3 using Hubble Space Telescope /WFC3 imaging. We find that Hot DOGs have a high merger fraction (62 ± 14%). By fitting the surface brightness profiles, we find that the distribution of Sérsic indices in our Hot DOG sample peaks around 2, which suggests that most Hot DOGs have transforming morphologies. We also derive the AGN bolometric luminosity (∼10{sup 14} L {sub ⊙}) of our Hot DOG sample by using IR spectral energy distributions decomposition. The derived merger fraction and AGN bolometric luminosity relation is well consistent with the variability-based model prediction. Both the high merger fraction in an IR-luminous AGN sample and relatively low merger fraction in a UV/optical-selected, unobscured AGN sample can be expected in the merger-driven evolutionary model. Finally, we conclude that Hot DOGs are merger-driven and may represent a transit phase during the evolution of massive galaxies, transforming from the dusty starburst-dominated phase to the unobscured QSO phase.

  1. Characterizing the evolution of WISE-selected obscured and unobscured quasars using HOD models.

    Science.gov (United States)

    Myers, Adam D.; DiPompeo, Michael A.; Mitra, Kaustav; Hickox, Ryan C.; Chatterjee, Suchetana; Whalen, Kelly

    2018-06-01

    Large-area imaging surveys in the infrared are now beginning to unlock the links between the activity of supermassive black holes and the cosmic evolution of dark matter halos during the significant times when black hole growth is enshrouded in dust. With data from the Wide-Field Infrared Survey Explorer (WISE) and complementary optical photometry, we construct samples of nearly half-a-million obscured and unobscured quasars around redshift 1. We study the dark matter halos of these populations using both angular autocorrelation functions and CMB lensing cross-correlations, carefully characterizing the redshift distribution of the obscured quasar sample using cross-correlations. Independent of our measurement technique, we find that obscured quasars occupy dark matter halos a few times more massive than their unobscured counterparts, despite being matched in luminosity at 12 and 22 microns. Modeling the two-point correlation function using a four-parameter Halo Occupation Distribution (HOD) formalism, we determine that purely optically selected quasars reside in dark matter halos that are about half the mass of WISE-selected obscured quasars, and that satellite fractions are somewhat larger for obscured quasars. We investigate scenarios such as merger-driven fueling and Eddington-dependent obscuration to explore what combinations of physical effects can reproduce our observed halo mass measurements. This work was, in part, supported by NASA ADAP award NNX16AN48G.

  2. What is the best diagnostic approach for obscure gastrointestinal bleeding?

    International Nuclear Information System (INIS)

    Juliao Banos, Fabian

    2010-01-01

    For the gastroenterologist, the study of patients with obscure gastrointestinal bleeding is a diagnostic challenge. Using recent definitions as starting point for locating and defining the type of obscure bleeding allows better study and classification of these individuals. Since 25% of the causes of obscure gastrointestinal bleeding are within the reach of upper endoscopy and total colonoscopy, we are compelled to make good clinical evaluations and establish quality parameters for performance of these procedures. With the emergence of new techniques such as capsule endoscopy and balloon enteroscopy, the study of the small intestine with higher performance than previously available through imaging studies is now possible in our environment. Rational sequential use of these diagnostic tools, exhaustive reviews of capsule endoscopy images plus and adequate training in performing balloon enteroscopy including the two-way approach when necessary, will help us to establish and treat the cause in most patients with this condition.

  3. Radiation defect formation in two-barrier structures based on silicon

    International Nuclear Information System (INIS)

    Madatov, R.S.; Abbasov, F.P.; Mustafayev, Yu.M.

    2013-01-01

    It was developed a silicon-based photodetector with high integral sensitivity in low-wave spectrum. It was investigated the effect of gamma radiation on the mechanism of current transport in the structure of Schottky barrier type and in transitions. It is shown that the double-barrier structures can improve the photovoltaic parameters of conventional detectors. For the first time it was obtained and studied the characteristics of two-barrier structures created on the same plane. The advantages over conventional structures are shown. The annealing point is changing the structure of radiation defects and leads to their disappearance

  4. Structural evolution of defective graphene under heat treatment and gamma irradiation

    Science.gov (United States)

    Zhang, Yifei; Shi, Jie; Chen, Cheng; Li, Nan; Xu, Zhiwei; Liu, Liangsen; Zhao, Lihuan; Li, Jing; Jing, Miaolei

    2018-03-01

    We have studied the structural change of defective graphene built by annealing in different temperature under the condition of gamma irradiation. Firstly, we found the heat treatment not only reduced but also striped the graphene. This behavior made defects become more firstly and then become less with the increase of temperature. And then gamma irradiation removed some oxygen-containing groups, by a simultaneous changed over carbon in the graphitic lattice from sp3 to sp2. Also, the gamma irradiation decreased the interlayer spacing between graphene lowest to 3.391 Å and made a crosslink which resulting in the size of the ordered gaining. A variation was detected by Raman spectroscopy that the amorphous carbon was declined after gamma irradiation. Furtherly we found the degree of this decline raised first and then diminished with the increase in the number of defects. The change in repair capacity of gamma irradiation presented a strategy for repairing the defects of graphene.

  5. Diffusive, Structural, Optical, and Electrical Properties of Defects in Semiconductors

    CERN Multimedia

    Wagner, F E

    2002-01-01

    Electronic properties of semiconductors are extremely sensitive to defects and impurities that have localized electronic states with energy levels in the band gap of the semiconductor. Spectroscopic techniques like photoluminescence (PL), deep level transient spectroscopy (DLTS), or Hall effect, that are able to detect and characterize band gap states do not reveal direct information about their microscopic origin. To overcome this chemical "blindness", the present approach is to use radioactive isotopes as a tracer. Moreover, the recoil energies involved in $\\beta$ and $\\gamma$-decays can be used to create intrinsic isolated point defects (interstitials, vacancies) in a controlled way. A microscopic insight into the structure and the thermodynamic properties of complexes formed by interacting defects can be gained by detecting the hyperfine interaction between the nuclear moments of radioactive dopants and the electromagnetic fields present at the site of the radioactive nucleus. The understanding and the co...

  6. Influence of structural defects on excitonic photoluminescence of pentacene

    International Nuclear Information System (INIS)

    Piryatins'kij, Yu.P.; Kurik, M.V.

    2011-01-01

    The exciton reflection, absorption, and photoluminescence spectra for single crystals and polycrystalline films have been studied in the temperature range of 4.2-296 K. A significant influence of structural defects arising during phase transitions on the exciton spectra of pentacene has been detected. The mechanisms of photoluminescence in single crystals and crystalline films of pentacene have been considered.

  7. Atomistic simulations of divacancy defects in armchair graphene nanoribbons: Stability, electronic structure, and electron transport properties

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Jun [College of Physical Science and Technology, Yangtze University, Jingzhou, Hubei 434023 (China); Zeng, Hui, E-mail: zenghui@yangtzeu.edu.cn [College of Physical Science and Technology, Yangtze University, Jingzhou, Hubei 434023 (China); Wei, Jianwei [College of Optoelectronic Information, Chongqing University of Technology, Chongqing 400054 (China); Li, Biao; Xu, Dahai [College of Physical Science and Technology, Yangtze University, Jingzhou, Hubei 434023 (China)

    2014-01-17

    Using the first principles calculations associated with nonequilibrium Green's function, we have studied the electronic structures and quantum transport properties of defective armchair graphene nanoribbon (AGNR) in the presence of divacancy defects. The triple pentagon–triple heptagon (555–777) defect in the defective AGNR is energetically more favorable than the pentagon–octagon–pentagon (5–8–5) defect. Our calculated results reveal that both 5–8–5-like defect and 555–777-like defect in AGNR could improve the electron transport. It is anticipated that defective AGNRs can exhibit large range variations in transport behaviors, which are strongly dependent on the distributions of the divacancy defect.

  8. The Halo Occupation Distribution of obscured quasars: revisiting the unification model

    Science.gov (United States)

    Mitra, Kaustav; Chatterjee, Suchetana; DiPompeo, Michael A.; Myers, Adam D.; Zheng, Zheng

    2018-06-01

    We model the projected angular two-point correlation function (2PCF) of obscured and unobscured quasars selected using the Wide-field Infrared Survey Explorer (WISE), at a median redshift of z ˜ 1 using a five parameter Halo Occupation Distribution (HOD) parametrization, derived from a cosmological hydrodynamic simulation by Chatterjee et al. The HOD parametrization was previously used to model the 2PCF of optically selected quasars and X-ray bright active galactic nuclei (AGNs) at z ˜ 1. The current work shows that a single HOD parametrization can be used to model the population of different kinds of AGN in dark matter haloes suggesting the universality of the relationship between AGN and their host dark matter haloes. Our results show that the median halo mass of central quasar hosts increases from optically selected (4.1^{+0.3}_{-0.4} × 10^{12} h^{-1} M_{⊙}) and infra-red (IR) bright unobscured populations (6.3^{+6.2}_{-2.3} × 10^{12} h^{-1} M_{⊙}) to obscured quasars (10.0^{+2.6}_{-3.7} × 10^{12} h^{-1} M_{⊙}), signifying an increase in the degree of clustering. The projected satellite fractions also increase from optically bright to obscured quasars and tend to disfavour a simple `orientation only' theory of active galactic nuclei unification. Our results also show that future measurements of the small-scale clustering of obscured quasars can constrain current theories of galaxy evolution where quasars evolve from an IR-bright obscured phase to the optically bright unobscured phase.

  9. Structure and flux pinning properties of irradiation defects in YBa2Cu3O7-x

    International Nuclear Information System (INIS)

    Kirk, M.A.

    1992-06-01

    We review our investigations of defects produced in YBa 2 Cu 3 O 7-x by various forms of irradiation. The defect microstructure has been studied by transmission electron microscopy (TEM). Irradiation enhancements of flux pinning have been studied by SQUID magnetometry on single crystals. In many cases the same single crystals were used in both TEM and SQUID investigations. The primary atom recoil spectra for all the irradiations studied have been carefully calculated and used to correlate the TEM and magnetization results for the different types of irradiation. Correlation of annealing experiments, employing both TEM and SQUID measurements, among several types of irradiation has also yielded information on the different defect structures present. Defect densities, sizes and strain field anisotropies have been determined by TEM. Defect flux pinning anisotropies have been determined for two field orientations in twinned single crystals. The temperature dependences of the flux pinning have been measured. The maximum field of irreversibility at 70 K is shown to change markedly upon both neutron and proton irradiations in some crystals and not others. The defect structure, chemistry and location in the unit cell has been determined in some cases. Some interaction with existing defect structure has been observed in proton and electron irradiations. The damage character and directionality has been determined in GeV ion irradiated crystals

  10. Localized Retinal Nerve Fiber Layer Defects in Red-free Photographs Versus En Face Structural Optical Coherence Tomography Images.

    Science.gov (United States)

    Jung, Jae Hoon; Park, Ji-Hye; Yoo, Chungkwon; Kim, Yong Yeon

    2018-03-01

    The purpose of this article is to compare the locations of localized retinal nerve fiber layer (RNFL) defects in red-free fundus photographs and optical coherence tomography (OCT) en face images. We performed a retrospective, comparative study on 46 eyes from 46 glaucoma patients with localized RNFL defects observed in red-free fundus photographs. En face structural images were obtained in the superficial and whole retinal layers using OCT and were overlaid on the corresponding red-free fundus photographs. The proximal/distal angular locations and angular width of each RNFL defect in red-free photos (red-free defects) and in en face structural images (en face defects) were compared. In the superficial retinal layer, there were no significant differences between red-free and en face defects on the proximal/distal angular location and angular width. In the whole retinal layer, the degree of the distal angular location of the en face defects was significantly larger than that of the red-free defects (71.85±18.26 vs. 70.87±17.90 degrees, P=0.003). The correlations of clinical variables with the differences in angular parameters between red-free and en face defects were not significant in the superficial retinal layer. The average RNFL thickness was negatively correlated with the difference in the distal angular location in the whole retinal layer (Pearson correlation coefficient=-0.401, P=0.006). Localized RNFL defects detected in OCT en face structural images of the superficial retinal layer showed high topographic correlation with defects detected in red-free photographs. OCT en face structural images in the superficial layer may be an alternative to red-free fundus photography for the identification of localized RNFL defects in glaucomatous eyes.

  11. Influence on ultrasonic incident angle and defect detection sensitivity by cast stainless steel structure

    International Nuclear Information System (INIS)

    Kurozumi, Y.

    2004-01-01

    It is well known that ultrasonic waves are affected strongly by macro-structures in cast stainless steel, as in the primary pipe or other components in pressurized water reactors (PWRs). In this work, ultrasonic refractive angles and defect detection sensitivities are investigated at different incident angles to cast stainless steel. The aims of the investigation are to clarify the transmission of ultrasonic waves in cast stainless steel and to contribute to the transducer design. The results are that ultrasonic refractive angles in cast stainless steel shift towards the 45-degree direction with respect to the direction of dendritic structures by 11.8 degrees at the maximum and that the sensitivity of transducer for inner surface breaking cracks increases with decreasing incident angle. However, in an ultrasonic inspection of actual welds at smaller incident angles, a trade-off occurs between increased defect detection sensitivity and decreased defect discrimination capability due to intense false signals produced by non-defective features. (orig.)

  12. RR Tel: Determination of Dust Properties During Minimum Obscuration

    Directory of Open Access Journals (Sweden)

    Jurkić T.

    2012-06-01

    Full Text Available the ISO infrared spectra and the SAAO long-term JHKL photometry of RR Tel in the epochs during minimum obscuration are studied in order to construct a circumstellar dust model. the spectral energy distribution in the near- and the mid-IR spectral range (1–15 μm was obtained for an epoch without the pronounced dust obscuration. the DUSTY code was used to solve the radiative transfer through the dust and to determine the circumstellar dust properties of the inner dust regions around the Mira component. Dust temperature, maximum grain size, dust density distribution, mass-loss rate, terminal wind velocity and optical depth are determined. the spectral energy distribution and the long-term JHKL photometry during an epoch of minimum obscuration show almost unattenuated stellar source and strong dust emission which cannot be explained by a single dust shell model. We propose a two-component model consisting of an optically thin circmustellar dust shell and optically thick dust outside the line of sight in some kind of a flattened geometry, which is responsible for most of the observed dust thermal emission.

  13. Defect structures in YBa2Cu3O/sub 7-x/ produced by electron irradiation

    International Nuclear Information System (INIS)

    Kirk, M.A.; Baker, M.C.; Liu, J.Z.; Lam, D.J.; Weber, H.W.

    1987-12-01

    Defect structures in YBa 2 Cu 3 O/sub 7-x/ produced by electron irradiation at 300 0 K were investigated by transmission electron microscopy. Threshold energies for the production of visible defects were determined to be 152 keV and 131 keV (+- 7 keV) in directions near the a and b (b > a) axes (both perpendicular to c, the long axis in the orthorhombic structure), respectively. During above threshold irradiations in an electron flux of 3 x 10 18 cm -2 s -1 , extended defects were observed to form and grow to sizes of 10 to 50 nm over 1000 s in material thicknesses 20 to 200 nm. Such low electron threshold energies suggest oxygen atom displacements with recoil energies near 20 eV. The observation of movement of twin boundaries during irradiation just above threshold suggests movement of the basal plane oxygen atoms by direct displacement or defect migration processes. Crystals irradiated above threshold were observed after about 24 hours to have transformed to a structure heavily faulted on planes perpendicular to the c axis. 3 refs., 3 figs

  14. Probing defect and magnetic structures on the nanoscale

    OpenAIRE

    Kallis, Alexis

    2010-01-01

    This thesis reports on experimental research on structural defects and magnetic species on the nanoscale. The latter project involved considerable development work on the production of a spin-polarised mono-energetic positron beam. The construction of the system is described through various trial steps with emphasis on the methods of maximum practical polarization of the positron beam and of electrons in the sample with the smallest possible loss of beam intensity. A new sodium-22 source caps...

  15. Research Trends on Defect and Life Assessment of High Temperature Structure

    International Nuclear Information System (INIS)

    Lee, Hyeong Yeon; Lee Jae Han

    2008-01-01

    This report presents the analysis on the state-of-the-art research trends on defect assessment and life evaluation of high temperature structure based on the papers presented in the two international conferences of ASME PVP 2007 / CREEP 8 which was held in 2007 and ICFDSM VI(International Conference on Fatigue Damage of Structural Materials VI) which was held in 2006

  16. AACSD: An atomistic analyzer for crystal structure and defects

    Science.gov (United States)

    Liu, Z. R.; Zhang, R. F.

    2018-01-01

    We have developed an efficient command-line program named AACSD (Atomistic Analyzer for Crystal Structure and Defects) for the post-analysis of atomic configurations generated by various atomistic simulation codes. The program has implemented not only the traditional filter methods like the excess potential energy (EPE), the centrosymmetry parameter (CSP), the common neighbor analysis (CNA), the common neighborhood parameter (CNP), the bond angle analysis (BAA), and the neighbor distance analysis (NDA), but also the newly developed ones including the modified centrosymmetry parameter (m-CSP), the orientation imaging map (OIM) and the local crystallographic orientation (LCO). The newly proposed OIM and LCO methods have been extended for all three crystal structures including face centered cubic, body centered cubic and hexagonal close packed. More specially, AACSD can be easily used for the atomistic analysis of metallic nanocomposite with each phase to be analyzed independently, which provides a unique pathway to capture their dynamic evolution of various defects on the fly. In this paper, we provide not only a throughout overview on various theoretical methods and their implementation into AACSD program, but some critical evaluations, specific testing and applications, demonstrating the capability of the program on each functionality.

  17. Elastic interaction energies of defect structures

    International Nuclear Information System (INIS)

    Seitz, E.; de Fontaine, D.

    1976-01-01

    The elastic strain energy between point defects and small disk-shaped clusters of defects are calculated to determine stable configurations. A distortion tensor of tetragonal symmetry is assigned to each impurity atom. The tetragonality ratio t is varied to cover needle-type (t greater than 1), spherical (t = 1) and disk-type (t less than 0) strain fields. To vary the elastic properties of the host material, Fe, Cu, Al, and V were chosen as examples. Computer calculations are based on the microscopic theory of elasticity which emphasizes calculations in discrete Fourier space. Pairs of point defects order along [001] for t less than 1 and along (001) for t = 1 for all host elements. For t greater than 1 fcc lattices and bcc lattices behave differently. It is shown that only certain three dimensional periodic arrangements of parallel and perpendicular disk-like defect clusters are realized for given tetragonality ratio t and host element

  18. Defect structure of TiS{sub 3} single crystals of the A-ZrSe{sub 3} type

    Energy Technology Data Exchange (ETDEWEB)

    Bolotina, N. B., E-mail: nb-bolotina@mail.ru [Russian Academy of Sciences, Shubnikov Institute of Crystallography, Federal Scientific Research Centre “Crystallography and Photonics,” (Russian Federation); Gorlova, I. G. [Russian Academy of Sciences, Kotel’nikov Institute of Radioengineering and Electronics (Russian Federation); Verin, I. A. [Russian Academy of Sciences, Shubnikov Institute of Crystallography, Federal Scientific Research Centre “Crystallography and Photonics,” (Russian Federation); Titov, A. N. [Russian Academy of Sciences, Mikheev Institute of Metal Physics, Ural Branch (Russian Federation); Arakcheeva, A. V. [Phase Solutions, Co Ltd. (Switzerland)

    2016-11-15

    The defect structure of TiS{sub 3} single crystals of the A-ZrSe{sub 3} type has been determined based on X-ray diffraction data. Shear defects manifest themselves as displacements of ab layers (which can imitate a twin) by ∼0.5a. Regular shears facilitate the formation of a superstructure along the c axis. A model of defect in the layer structure is proposed to explain the atomic displacements at an angle to the layer plane.

  19. Structural and electronic properties of zigzag InP nanoribbons with Stone–Wales type defects

    International Nuclear Information System (INIS)

    Longo, R C; Carrete, J; Varela, L M; Gallego, L J

    2016-01-01

    By means of density-functional-theoretic calculations, we investigate the structural and electronic properties of a hexagonal InP sheet and of hydrogen-passivated zigzag InP nanoribbons (ZInPNRs) with Stone–Wales (SW)-type defects. Our results show that the influence of this kind of defect is not limited to the defected region but it leads to the formation of ripples that extend across the systems, in keeping with the results obtained recently for graphene and silicene sheets. The presence of SW defects in ZInPNRs causes an appreciable broadening of the band gap and transforms the indirect-bandgap perfect ZInPNR into a direct-bandgap semiconductor. An external transverse electric field, regardless of its direction, reduces the gap in both the perfect and defective ZInPNRs. (paper)

  20. 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

  1. Amplified emission and modified spectral features in an opal hetero-structure mediated by passive defect mode localization

    Science.gov (United States)

    Rout, Dipak; Kumar, Govind; Vijaya, R.

    2018-01-01

    A photonic crystal hetero-structure consisting of a passive planar defect of SiO2 thin film sandwiched between two identical opals grown by inward growing self-assembly method using Rhodamine-B dye-doped polystyrene microspheres is studied for the characteristics of dye emission. The optical properties and the defect mode characteristics of the hetero-structure are studied from the reflection and transmission measurements. Laser-induced fluorescence from the hetero-structure showed amplified and spectrally narrowed emission compared to the photonic crystal emphasizing the role of the defect mode and distributed feedback. The enhanced emission is also complemented by the reduction in fluorescence decay time in the case of the hetero-structure in comparison to the 3D photonic crystals.

  2. X-Ray Spectral Properties of Seven Heavily Obscured Seyfert 2 Galaxies

    Energy Technology Data Exchange (ETDEWEB)

    Marchesi, S.; Ajello, M. [Department of Physics and Astronomy, Clemson University, Clemson, SC 29634 (United States); Comastri, A. [INAF—Osservatorio Astronomico di Bologna, via Ranzani 1, I-40127 Bologna (Italy); Cusumano, G.; Parola, V. La; Segreto, A., E-mail: smarche@clemson.edu [INAF—Istituto di Astrofisica Spaziale e Fisica Cosmica, Via U. La Malfa 153, I-90146 Palermo (Italy)

    2017-02-10

    We present the combined Chandra and Swift -BAT spectral analysis of seven Seyfert 2 galaxies selected from the Swift -BAT 100 month catalog. We selected nearby ( z ≤ 0.03) sources lacking a ROSAT counterpart that never previously been observed with Chandra in the 0.3–10 keV energy range, and targeted these objects with 10 ks Chandra ACIS-S observations. The X-ray spectral fitting over the 0.3–150 keV energy range allows us to determine that all the objects are significantly obscured, with N{sub H} ≥ 10{sup 23} cm{sup −2} at a >99% confidence level. Moreover, one to three sources are candidate Compton-thick Active Galactic Nuclei (CT-AGNs; i.e., N{sub H}≥10{sup 24} cm{sup −2}). We also test the recent spectral curvature method developed by Koss et al. to find candidate CT-AGNs, finding a good agreement between our results and their predictions. Because the selection criteria we adopted were effective in detecting highly obscured AGNs, further observations of these and other Seyfert 2 galaxies selected from the Swift -BAT 100 month catalog will allow us to create a statistically significant sample of highly obscured AGNs, therefore providing a better understanding of the physics of the obscuration processes.

  3. Local structure and defects in ion irradiated KTaO3

    Science.gov (United States)

    Zhang, F. X.; Xi, J.; Zhang, Y.; Tong, Yang; Xue, H.; Huang, R.; Trautmann, C.; Weber, W. J.

    2018-04-01

    The modification of the local structure in cubic perovskite KTaO3 irradiated with 3 MeV and 1.1 GeV Au ions is studied by Raman and x-ray absorption spectroscopy, complemented by density functional theory (DFT) calculations. In the case of irradiation with 3 MeV Au ions where displacement cascade processes are dominant, the Ta L3-edge x-ray absorption measurements suggest that a peak corresponding to the Ta-O bonds in the TaO6 octahedra splits, which is attributed to the formation of TaK antisite defects that are coupled with oxygen vacancies, V O. This finding is consistent with the DFT calculations. Under irradiation with 1.1 GeV ions, the intense ionization and electronic energy deposition lead to a blue shift and an intensity reduction of active Raman bands. In the case of sequential irradiations, extended x-ray absorption fine structure measurements reveal a decrease in concentration of coupled TaK-V O defects under subsequent irradiation with 1.1 GeV Au ions.

  4. The Constant Average Relationship Between Dust-obscured Star Formation and Stellar Mass from z=0 to z=2.5

    Science.gov (United States)

    Whitaker, Katherine E.; Pope, Alexandra; Cybulski, Ryan; Casey, Caitlin M.; Popping, Gergo; Yun, Min; 3D-HST Collaboration

    2018-01-01

    The total star formation budget of galaxies consists of the sum of the unobscured star formation, as observed in the rest-frame ultraviolet (UV), together with the obscured component that is absorbed and re-radiated by dust grains in the infrared. We explore how the fraction of obscured star formation depends (SFR) and stellar mass for mass-complete samples of galaxies at 0 MIPS 24μm photometry in the well-studied 5 extragalactic CANDELS fields. We find a strong dependence of the fraction of obscured star formation (f_obscured=SFR_IR/SFR_UV+IR) on stellar mass, with remarkably little evolution in this fraction with redshift out to z=2.5. 50% of star formation is obscured for galaxies with log(M/M⊙)=9.4 although unobscured star formation dominates the budget at lower masses, there exists a tail of low mass extremely obscured star-forming galaxies at z > 1. For log(M/M⊙)>10.5, >90% of star formation is obscured at all redshifts. We also show that at fixed total SFR, f_obscured is lower at higher redshift. At fixed mass, high-redshift galaxies are observed to have more compact sizes and much higher star formation rates, gas fractions and hence surface densities (implying higher dust obscuration), yet we observe no redshift evolution in f_obscured with stellar mass. This poses a challenge to theoretical models to reproduce, where the observed compact sizes at high redshift seem in tension with lower dust obscuration.

  5. Speech masking and cancelling and voice obscuration

    Science.gov (United States)

    Holzrichter, John F.

    2013-09-10

    A non-acoustic sensor is used to measure a user's speech and then broadcasts an obscuring acoustic signal diminishing the user's vocal acoustic output intensity and/or distorting the voice sounds making them unintelligible to persons nearby. The non-acoustic sensor is positioned proximate or contacting a user's neck or head skin tissue for sensing speech production information.

  6. Experimental and theoretical investigation of lattice defect structures in a series of Zn, Fe-doped nonstoichiometric lithium niobate

    International Nuclear Information System (INIS)

    Guo Fengyun; Lue Qiang; Sun Liang; Li Hongtao; Zhen Xihe; Xu Yuheng; Zhao Liancheng

    2006-01-01

    A series of the double doped lithium niobate (LiNbO 3 , LN) single crystals had been grown by Czochralski method. The Curie temperatures of various concentrations doped or [Li]/[Nb] ratio LN crystals measured by differential thermal analysis (DTA) were discussed to investigate their defect structures with Safaryan et al. new approach about LN lattice defect structure using Curie temperatures calculated. Infrared transmission spectra of various concentrations doped were used to compare the investigation above. The results show that the lithium vacancy model is the more probable to describe the lattice defect structure of the doped LN single crystal

  7. 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

  8. The value of multidetector-row computed tomography for localization of obscure acute gastrointestinal bleeding

    Energy Technology Data Exchange (ETDEWEB)

    Chang, Wei-Chou [Department of Radiology, Tri-Service General Hospital, National Defense Medical Center, Taiwan (China); Tsai, Shih-Hung [Department of Emergency Medicine, Tri-Service General Hospital, National Defense Medical Center, Taiwan (China); Chang, Wei-Kuo [Division of Gasteroenterology, Department of Internal Medicine, Tri-Service General Hospital, National Defense Medical Center, Taiwan (China); Liu, Chang-Hsien [Department of Radiology, Tri-Service General Hospital, National Defense Medical Center, Taiwan (China); Tung, Ho-Jui [Department of Healthcare Administration, Asia University, Taichung, Taiwan (China); Hsieh, Chung-Bao [Department of Surgery, Tri-Service General Hospital, National Defense Medical Center, Taiwan (China); Huang, Guo-Shu; Hsu, Hsian-He [Department of Radiology, Tri-Service General Hospital, National Defense Medical Center, Taiwan (China); Yu, Chih-Yung, E-mail: chougo2002@yahoo.com.tw [Department of Radiology, Tri-Service General Hospital, National Defense Medical Center, Taiwan (China)

    2011-11-15

    Purpose: There are no simple guidelines on when to perform multidetector-row computed tomography (MDCT) for diagnosis of obscure acute gastrointestinal bleeding (AGIB). We used a risk scoring system to evaluate the diagnostic power of MDCT for patients with obscure AGIB. Materials and methods: Ninety-two patients with obscure AGIB who were referred for an MDCT scan after unsuccessful endoscopic treatment at presentation were studied. We recorded clinical data and calculated Blatchford score for each patient. Patients who required transfusion more than 500 mL of blood to maintain the vital signs were classified as high-risk patients. Two radiologists independently reviewed and categorized MDCT signs of obscure AGIB. Discordant findings were resolved by consensus. One-way ANOVA was used to compare clinical data between two groups; kappa statistics were used to estimate agreement on MDCT findings between radiologists. Results: Of the 92 patients, 62 (67.4%) were classified as high-risk patients. Blatchford scores of high-risk patients were significantly greater than those of low-risk patients. Sensitivity for MDCT diagnosing obscure AGIB was 81% in high-risk patients, as compared with 50% in the low-risk. When used in conjunction with selection of the cut-off value of 13 in Blatchford scoring system, the sensitivity and specificity of MDCT were 70.9% and 73.7%, respectively. Contrast extravasation was the most specific sign of AGIB (k = .87), recognition of which would have improved diagnostic accuracy. Conclusions: With the aid of Blatchford scoring system for evaluating the disease severity, MDCT can localize the bleeders of obscure AGIB more efficiently.

  9. The value of multidetector-row computed tomography for localization of obscure acute gastrointestinal bleeding

    International Nuclear Information System (INIS)

    Chang, Wei-Chou; Tsai, Shih-Hung; Chang, Wei-Kuo; Liu, Chang-Hsien; Tung, Ho-Jui; Hsieh, Chung-Bao; Huang, Guo-Shu; Hsu, Hsian-He; Yu, Chih-Yung

    2011-01-01

    Purpose: There are no simple guidelines on when to perform multidetector-row computed tomography (MDCT) for diagnosis of obscure acute gastrointestinal bleeding (AGIB). We used a risk scoring system to evaluate the diagnostic power of MDCT for patients with obscure AGIB. Materials and methods: Ninety-two patients with obscure AGIB who were referred for an MDCT scan after unsuccessful endoscopic treatment at presentation were studied. We recorded clinical data and calculated Blatchford score for each patient. Patients who required transfusion more than 500 mL of blood to maintain the vital signs were classified as high-risk patients. Two radiologists independently reviewed and categorized MDCT signs of obscure AGIB. Discordant findings were resolved by consensus. One-way ANOVA was used to compare clinical data between two groups; kappa statistics were used to estimate agreement on MDCT findings between radiologists. Results: Of the 92 patients, 62 (67.4%) were classified as high-risk patients. Blatchford scores of high-risk patients were significantly greater than those of low-risk patients. Sensitivity for MDCT diagnosing obscure AGIB was 81% in high-risk patients, as compared with 50% in the low-risk. When used in conjunction with selection of the cut-off value of 13 in Blatchford scoring system, the sensitivity and specificity of MDCT were 70.9% and 73.7%, respectively. Contrast extravasation was the most specific sign of AGIB (k = .87), recognition of which would have improved diagnostic accuracy. Conclusions: With the aid of Blatchford scoring system for evaluating the disease severity, MDCT can localize the bleeders of obscure AGIB more efficiently.

  10. Fracture Resistance, Surface Defects and Structural Strength of Glass

    OpenAIRE

    Rodichev, Y.M.; Veer, F.A.

    2010-01-01

    This paper poses the theory that the fracture resistance of basic float glass is dependent on it physicochemical properties and the surface defects fonned under the float glass production, glass processing and handling at the service conditions compose the aggregate basis for structural glass strength assessment. The effect of loading conditions, constructional and technological factors on the engineering strength of glass can be evaluated in certain cases using fracture mechanics with inform...

  11. Structural defects in electrodeposited Ni studied by positron annihilation

    International Nuclear Information System (INIS)

    Vertes, A.; Szeles, C.; Czako-Nagy, I.; Lakatos-Varsanyi, M.

    1982-01-01

    Structural investigation of electrodeposited Ni was carried out by positron annihilation (PA) technique. Additional Moessbauer effect and X-ray diffraction measurements were also performed. The samples were produced under different plating conditions resulting in stress in the range -100 to +600 N/mm 2 . From the positron lifetime measurements it seems that the defect pattern of electrodeposited Ni samples might be substantially different from sample to sample with different deposition and plating conditions. (Auth.)

  12. Formation, structure and magnetism of the metastable defect fluorite phases AVO3.5+x (A=In, Sc)

    International Nuclear Information System (INIS)

    Shafi, Shahid P.; Lundgren, Rylan J.; Cranswick, Lachlan M.D.; Bieringer, Mario

    2007-01-01

    We report the preparation and stability of ScVO 3.5+x and the novel phase InVO 3.5+x . AVO 3.5+x (A=Sc, In) defect fluorite structures are formed as metastable intermediates during the topotactic oxidation of AVO 3 bixbyites. The oxidation pathway has been studied in detail by means of thermogravimetric/differential thermal analysis and in-situ powder X-ray diffraction. The oxidation of the bixbyite phase follows a topotactic pathway at temperatures between 300 and 400 deg. C in air/carbon dioxide. The range of accessible oxygen stoichiometries for the AVO 3.5+x structures following this pathway are 0.00≤x≤0.22. Rietveld refinements against powder X-ray and neutron data revealed that InVO 3.54 and ScVO 3.70 crystallize in the defect fluorite structure in space group Fm-3 m (227) with a=4.9863(5) and 4.9697(3)A, respectively with A 3+ /V 4+ disorder on the (4a) cation site. Powder neutron diffraction experiments indicate clustering of oxide defects in all samples. Bulk magnetic measurements showed the presence of V 4+ and the absence of magnetic ordering at low temperatures. Powder neutron diffraction experiments confirmed the absence of a long range ordered magnetic ground state. - Graphical abstract: Topotactic oxidation of AVO 3 bixbyite to AVO 3.5 defect fluorite structure followed by in-situ powder X-ray diffraction. The upper structural diagram shows a six coordinated (A/V)-O 6 fragment in bixbyite, the lower structure illustrates the same seven-fold coordinated (A/V)-O 7 cubic environment in the defect fluorite structure

  13. Infrared Selection of Obscured Active Galactic Nuclei in the COSMOS Field

    Science.gov (United States)

    Chang, Yu-Yen; Le Floc'h, Emeric; Juneau, Stéphanie; da Cunha, Elisabete; Salvato, Mara; Civano, Francesca; Marchesi, Stefano; Ilbert, Olivier; Toba, Yoshiki; Lim, Chen-Fatt; Tang, Ji-Jia; Wang, Wei-Hao; Ferraro, Nicholas; Urry, Megan C.; Griffiths, Richard E.; Kartaltepe, Jeyhan S.

    2017-12-01

    We present a study of the connection among black hole accretion, star formation, and galaxy morphology at z≤slant 2.5. We focus on active galactic nuclei (AGNs) selected by their mid-IR power-law emission. By fitting optical to far-IR photometry with state-of-the-art spectral energy distribution (SED) techniques, we derive stellar masses, star formation rates, dust properties, and AGN contributions in galaxies over the whole COSMOS field. We find that obscured AGNs lie within or slightly above the star-forming sequence. We confirm our previous finding about compact host galaxies of obscured AGNs at z˜ 1, and find that galaxies with 20%-50% AGN contributions tend to have smaller sizes, by ˜25%-50%, compared to galaxies without AGNs. Furthermore, we find that a high merger fraction of up to 0.5 is appropriate for the most luminous ({log}({L}{IR}/{L}⊙ )˜ 12.5) AGN hosts and non-AGN galaxies, but not for the whole obscured AGN sample. Moreover, the merger fraction depends on the total and star-forming IR luminosity, rather than on the decomposed AGN infrared luminosity. Our results suggest that major mergers are not the main driver of AGN activity, and therefore obscured AGNs might be triggered by internal mechanisms, such as secular processes, disk instabilities, and compaction in a particular evolutionary stage. We make the SED modeling results publicly available.

  14. Consolidation of the Victorian Marriage Tradition in Hardy’s Jude the Obscure

    Directory of Open Access Journals (Sweden)

    Parvin Ghasemi

    2012-10-01

    Full Text Available Jude the Obscure by Thomas Hardy has always been considered a novel in which the concept of the traditional Victorian marriage is severely criticized through various tones. New Historicism and Cultural Materialism are methodological approaches that provide us with a different interpretation of this novel. Therefore , on the basis of these "reading practices," as Greenblatt calls them, the researchers attempt to offer another reading of this novel. The present research concludes that Jude the Obscure at first presents an explicit, reproachful treatment of the conventional Victorian marriage but at the end it reinforces this type of marriage by repressing the characters whose views are at odds with the dominant views of the society. In other words, through marginalizing its own major characters as "the others", Jude the Obscure consolidates the dominant discourse of the Victorian society about "marriage".

  15. Electronic structure and STM images simulation of defects on hBN/ black-phosphorene heterostructures: A theoretical study

    Science.gov (United States)

    Ospina, D. A.; Cisternas, E.; Duque, C. A.; Correa, J. D.

    2018-03-01

    By first principles calculations which include van der Waals interactions, we studied the electronic structure of hexagonal boron-nitride/black-phosphorene heterostructures (hBN/BP). In particular the role of several kind of defects on the electronic properties of black-phosphorene monolayer and hBN/BP heterostructure was analyzed. The defects under consideration were single and double vacancies, as well Stone-Wale type defects, all of them present in the phosphorene layer. In this way, we found that the electronic structure of the hBN/BP is modified according the type of defect that is introduced. As a remarkable feature, our results show occupied states at the Fermi Level introduced by a single vacancy in the energy gap of the hBN/BP heterostructure. Additionally, we performed simulations of scanning tunneling microscopy images. These simulations show that is possible to discriminate the kind of defect even when the black-phosphorene monolayer is part of the heterostructure hBN/BP. Our results may help to discriminate among several kind of defects during experimental characterization of these novel materials.

  16. Analysis of Side-Wall Structure of Grown-in Twin-Type Octahedral Defects in Czochralski Silicon

    Science.gov (United States)

    Ueki, Takemi; Itsumi, Manabu; Takeda, Tadao

    1998-04-01

    We analyzed the side-wall structure of grown-in octahedral defects in Czochralski silicon standard wafers for large-scale integrated circuits. There are two types of twin octahedral defects: an overlapping type and an adjacent type. In the twin octahedral defects of the overlapping type, a hole is formed in the connection part. The side-wall layer in the hole part is formed continually and is the same thickness as the side-wall layers of both octahedrons. In the twin octahedral defects of the adjacent type, a partition layer is formed in the connection part. Our electron energy-loss spectroscopy analyses identified that the side-wall layer includes SiO2.

  17. Tailoring the strain in Si nano-structures for defect-free epitaxial Ge over growth.

    Science.gov (United States)

    Zaumseil, P; Yamamoto, Y; Schubert, M A; Capellini, G; Skibitzki, O; Zoellner, M H; Schroeder, T

    2015-09-04

    We investigate the structural properties and strain state of Ge nano-structures selectively grown on Si pillars of about 60 nm diameter with different SiGe buffer layers. A matrix of TEOS SiO2 surrounding the Si nano-pillars causes a tensile strain in the top part at the growth temperature of the buffer that reduces the misfit and supports defect-free initial growth. Elastic relaxation plays the dominant role in the further increase of the buffer thickness and subsequent Ge deposition. This method leads to Ge nanostructures on Si that are free from misfit dislocations and other structural defects, which is not the case for direct Ge deposition on these pillar structures. The Ge content of the SiGe buffer is thereby not a critical parameter; it may vary over a relatively wide range.

  18. Smokes and obscurants: A health and environmental effects data base assessment: A first-order, environmental screening and ranking of Army smokes and obscurants: Phase 1 report

    Energy Technology Data Exchange (ETDEWEB)

    Shinn, J.H.; Martins, S.A.; Cederwall, P.L.; Gratt, L.B.

    1985-03-01

    An initial environmental screening and ranking is provided for each Army smoke and obscurant (S and O) depending on smoke type and smoke-generating device. This was done according to the magnitude of the impact area, the characteristic environmental concentration, the relative inhalation toxicity, the relative toxicity when ingested by animals, the aquatic toxicity, the environmental mobility when freshly deposited, and the ultimate mobility and fate in the environment. The major smoke types considered were various forms of white phosphorus (WP), red phosphorus (RP), hexachloroethane-derived smokes (HC), fog oil (SGF-2), diesel fuel smokes (DF), and some infrared obscuring agents (IR).

  19. Atomic structure of pyramidal defects in GaN:Mg: Influence of annealing

    Energy Technology Data Exchange (ETDEWEB)

    Liliental-Weber, Z.; Tomaszewicz, T.; Zakharov, D.; O' Keefe, M. [Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Hautakangas, S.; Saarinen, K. [Materials Science and Engineering, University of California, Berkeley, Berkeley, CA 94720 (United States); Freitas, J.A.; Henry, R.L. [ESTD-Electronic Materials Branch, Naval Research Laboratory, Washington, D.C. 20375 (United States)

    2006-05-15

    The atomic structure of the characteristic defects (Mg-rich hexagonal pyramids) in p-doped bulk and MOCVD GaN:Mg thin films grown with Ga polarity was determined at atomic resolution by direct reconstruction of the scattered electron wave in a transmission electron microscope. Small cavities were present inside the defects, confirmed also with positron annihilation. The inside walls of the cavities were covered by GaN of reverse polarity compared to the matrix. Annealing of the MOCVD layers lead to slight increase of the defect size and an increase of the room temperature photoluminescence intensity. Positron annihilation confirms presence of vacancy clusters of different sizes triggered by the Mg doping in as-grown samples and decrease of their concentration upon annealing at 900 and 1000 C. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  20. Imprecise methods may both obscure and aggravate a relation between fat and breast cancer

    DEFF Research Database (Denmark)

    Heitmann, B L; Frederiksen, Peder

    2007-01-01

    Bias in diet reporting may be both random and non-random, and may be found with simpler as well as more advanced dietary instruments. A random bias will contribute to obscure relations between diet and disease. A systematic bias may obscure or aggravate such associations. Underreporting of non-pr...

  1. GEMINI/GeMS Observations Unveil the Structure of the Heavily Obscured Globular Cluster Liller 1.

    Science.gov (United States)

    Saracino, S.; Dalessandro, E.; Ferraro, F. R.; Lanzoni, B.; Geisler, D.; Mauro, F.; Villanova, S.; Moni Bidin, C.; Miocchi, P.; Massari, D.

    2015-06-01

    By exploiting the exceptional high-resolution capabilities of the near-IR camera GSAOI combined with the Gemini Multi-Conjugate Adaptive System at the GEMINI South Telescope, we investigated the structural and physical properties of the heavily obscured globular cluster Liller 1 in the Galactic bulge. We have obtained the deepest and most accurate color-magnitude diagram published so far for this cluster, reaching {{K}s}˜ 19 (below the main-sequence turnoff level). We used these data to redetermine the center of gravity of the system, finding that it is located about 2.″2 southeast from the literature value. We also built new star density and surface brightness profiles for the cluster and rederived its main structural and physical parameters (scale radii, concentration parameter, central mass density, total mass). We find that Liller 1 is significantly less concentrated (concentration parameter c=1.74) and less extended (tidal radius {{r}t}=298\\prime\\prime and core radius {{r}c}=5\\buildrel{\\prime\\prime}\\over{.} 39) than previously thought. By using these newly determined structural parameters, we estimated the mass of Liller 1 to be {{M}tot}=2.3+0.3-0.1× {{10}6} {{M}⊙ } ({{M}tot}=1.5+0.2-0.1× {{10}6} {{M}⊙ } for a Kroupa initial mass function), which is comparable to that of the most massive clusters in the Galaxy (ω Centari and Terzan 5). Also, Liller 1 has the second-highest collision rate (after Terzan 5) among all star clusters in the Galaxy, thus confirming that it is an ideal environment for the formation of collisional objects (such as millisecond pulsars). Based on observations obtained at the Gemini Observatory, which is operated by the Association of Universities for Research in Astronomy, Inc., under a cooperative agreement with the NSF on behalf of the Gemini partnership: the National Science Foundation (United States), the National Research Council (Canada), CONICYT (Chile), the Australian Research Council (Australia), Ministério da

  2. Extended deep level defects in Ge-condensed SiGe-on-Insulator structures fabricated using proton and helium implantations

    International Nuclear Information System (INIS)

    Kwak, D.W.; Lee, D.W.; Oh, J.S.; Lee, Y.H.; Cho, H.Y.

    2012-01-01

    SiGe-on-Insulator (SGOI) structures were created using the Ge condensation method, where an oxidation process is performed on the SiGe/Si structure. This method involves rapid thermal chemical vapor deposition and H + /He + ion-implantations. Deep level defects in these structures were investigated using deep level transient spectroscopy (DLTS) by varying the pulse injection time. According to the DLTS measurements, a deep level defect induced during the Ge condensation process was found at 0.28 eV above the valence band with a capture cross section of 2.67 × 10 −17 cm 2 , two extended deep levels were also found at 0.54 eV and 0.42 eV above the valence band with capture cross sections of 3.17 × 10 −14 cm 2 and 0.96 × 10 −15 cm 2 , respectively. In the SGOI samples with ion-implantation, the densities of the newly generated defects as well as the existing defects were decreased effectively. Furthermore, the Coulomb barrier heights of the extended deep level defects were drastically reduced. Thus, we suggest that the Ge condensation method with H + ion implantation could reduce deep level defects generated from the condensation and control the electrical properties of the condensed SiGe layers. - Highlights: ► We have fabricated low-defective SiGe-on-Insulator (SGOI) with implantation method. ► H + and He + -ions are used for ion-implantation method. ► We have investigated the deep level defects of SGOI layers. ► Ge condensation method using H + ion implantation could reduce extended defects. ► They could enhance electrical properties.

  3. Analysis of radiative heat transfer in the presence of obscurations

    International Nuclear Information System (INIS)

    Finkelstein, L.; Weissman, Y.

    1981-05-01

    Numerical simulation of radiative heat transfer problems in general axisymmetric geometry in the presence of an active gas is considered. Such simulation requires subdivision of the radiating surfaces into discrete elements, which are in the present case radiating rings. While the effect of a participating medium is easily taken into account by integration along the lines of vision between the surface elements, the calculation of the different obscurations poses the main difficulty. We have written a closed expression which formulates the problem exactly, and then developed a systematic and compact computational approach to the obscuration problem in complex configurations. The present procedure is particularly suited to computer calculations associated with engineering applications in the aircraft and furnace industries. (author)

  4. Longevidad de Orgilus obscurator Ness: (Hymenoptera: Braconidae en presencia de diferentes fuentes de alimento Longevity of Orgilus obscurator Ness: (Hymenoptera: Braconidae under the influence of different food sources

    Directory of Open Access Journals (Sweden)

    SANDRA IDE

    2001-06-01

    Full Text Available Una de las tácticas implementadas en el control de Rhyacionia buoliana Schiff. en Chile fue la introducción en 1987 de Orgilus obscurator Ness., un parasitoide específico. Evaluaciones realizadas entre la VII y X regiones de Chile, entre 1995 y 1997, mostraron diferencias significativas en el establecimiento y porcentaje de parasitismo alcanzados por O. obscurator. Aún cuando son múltiples los factores que inciden en el éxito de un biocontrolador, es importante considerar la disponibilidad y accesibilidad de fuentes de alimento, tales como el néctar de algunas flores y su efecto en la longevidad de los adultos. Este estudio fue realizado en la temporada 1996-1997 y 1997-1998 en la Provincia de Valdivia, décima región de Chile. Se utilizaron 295 individuos adultos, entre machos y hembras, manteniéndolos con agua, sin agua, agua-miel y con flores de cuatro especies de plantas, tres pertenecientes a la familia Apiaceae y otra a la familia Asteraceae. La mayor longevidad promedio se obtuvo usando agua miel (23 días en machos y 33 días en hembras y flores de Conium maculatum y Daucus carota (14,1 días, las cuales permitieron aumentar dos veces la longevidad respecto al uso sólo de agua. Los resultados encontrados permiten sugerir la incorporación de algunas especies como C. maculatum y D. carota a las plantaciones de Pinus radiata D. Don, especialmente en la séptima y octava regiones del país, como una forma de aumentar la eficiencia de parasitación de O. obscuratorOne of the tactics that improved the control of Rhyacionia buoliana in Chile was the introduction in 1987 of Orgilus obscurator, a specific parasitoid. Evaluations between the regions VII and X of Chile during 1995 to 1997 have shown significant differences in the establishment and parasitism obtained by O. obscurator. Several factors are involved in the success of control strategies, including the availability and access to food sources such as water, flower nectar and

  5. Defect structure of ultrafine MgB2 nanoparticles

    International Nuclear Information System (INIS)

    Bateni, Ali; Somer, Mehmet; Repp, Sergej; Erdem, Emre; Thomann, Ralf; Acar, Selçuk

    2014-01-01

    Defect structure of MgB 2 bulk and ultrafine particles, synthesized by solid state reaction route, have been investigated mainly by the aid of X-band electron paramagnetic resonance spectrometer. Two different amorphous Boron (B) precursors were used for the synthesis of MgB 2 , namely, boron 95 (purity 95%–97%, <1.5 μm) and nanoboron (purity >98.5%, <250 nm), which revealed bulk and nanosized MgB 2 , respectively. Scanning and transmission electron microscopy analysis demonstrate uniform and ultrafine morphology for nanosized MgB 2 in comparison with bulk MgB 2 . Powder X-ray diffraction data show that the concentration of the by-product MgO is significantly reduced when nanoboron is employed as precursor. It is observed that a significant average particle size reduction for MgB 2 can be achieved only by using B particles of micron or nano size. The origin and the role of defect centers were also investigated and the results proved that at nanoscale MgB 2 material contains Mg vacancies. Such vacancies influence the connectivity and the conductivity properties which are crucial for the superconductivity applications

  6. Defect structures in YBa/sub 2/Cu/sub 3/O/sub 7-x/ produced by electron irradiation

    International Nuclear Information System (INIS)

    Kirk, M.A.; Baker, M.C.; Liu, J.Z.; Lam, D.J.; Weber, H.W.

    1988-01-01

    Defect structures in YBa/sub 2/Cu/sub 3/O/sub 7-x/ produced by electron irradiation at 300 K were investigated by transmission electron microscopy. Threshold energies for the production of visible defects were determined to be 152 keV and 131 keV (+- 7 keV) in directions near the a and b (b>a) axes (both perpendicular to c, the long axis in the orthorhombic structure), respectively. During above threshold irradiations in an electron flux of 3x10/sup 18/ cm/sup -2/ s/sup -1/, extended defects were observed to form and grow to sizes of 10-50 nm over 1000 s in material thickness 20-200 nm. Such low electron threshold energies suggest oxygen atom displacements with recoil energies near 20 eV. The observation of movement of twin boundaries during irradiation just above threshold suggests movement of the basal plane oxygen atoms by direct displacement or defect migration processes. Crystals irradiated above threshold were observed after about 24 hours to have transformed to a structure heavily faulted on planes perpendicular to the c axis

  7. Structural and optical investigations of oxygen defects in zinc oxide nanoparticles

    International Nuclear Information System (INIS)

    Sahai, Anshuman; Goswami, Navendu

    2015-01-01

    ZnO nanoparticles (NPs) were prepared implementing chemical precipitation method. Structural and optical characterizations of synthesized ZnO NPs were thoroughly probed applying X-ray diffraction (XRD), transmission electron microscope (TEM), energy dispersive X-ray (EDX) analysis, X-ray photoelectron spectroscopy (XPS), UV- Visible absorption and fluorescence (FL) spectroscopy. The XRD and TEM analyses revealed hexagonal wurtzite phase with 25-30 nm size. EDX analysis indicated oxygen (O) rich composition of nanoparticles. In accordance with EDX, XPS analysis verifies O i rich stoichiometry of prepared NPs. Furthermore, concurrence of lattice oxygen (O L ), interstitial oxygen (O i ) and oxygen vacancy (V O ) in ZnO NPs was demonstrated through XPS analysis. Size quantization of nanoparticles is evident by blue shift of UV-Visible absorption energy. The FL spectroscopic investigations ascertain the existence of several discrete and defect states and radiative transitions occurring therein. Display of visible emission from oxygen defect states and most importantly, excess of O i defects in prepared ZnO nanoparticles, was well established through FL study

  8. Effect of grain boundary structures on the behavior of He defects in Ni: An atomistic study

    Institute of Scientific and Technical Information of China (English)

    H F Gong; Y Yan; X S Zhang; W Lv; T Liu; Q S Ren

    2017-01-01

    We investigated the effect of grain boundary structures on the trapping strength of HeN (N is the number of helium atoms) defects in the grain boundaries of nickel.The results suggest that the binding energy of an interstitial helium atom to the grain boundary plane is the strongest among all sites around the plane.The HeN defect is much more stable in nickel bulk than in the grain boundary plane.Besides,the binding energy of an interstitial helium atom to a vacancy is stronger than that to a grain boundary plane.The binding strength between the grain boundary and the HeN defect increases with the defect size.Moreover,the binding strength of the HeN defect to the Σ3 (1 12)[110] grain boundary becomes much weaker than that to other grain boundaries as the defect size increases.

  9. Variable circumstellar obscuration of the carbon star R Fornacis

    International Nuclear Information System (INIS)

    Feast, M.W.; Whitelock, P.A.; Catchpole, R.M.; Roberts, G.; Overbeek, M.D.

    1984-01-01

    In 1983 the carbon Mira-type variable R For became unusually faint in the visible and infrared. This is interpreted as a change in circumstellar obscuration. For absorption by graphite spheres the required particle radius is 0.15 μm. (author)

  10. Use of heparin in the investigation of obscure gastrointestinal bleeding

    International Nuclear Information System (INIS)

    Mernagh, J.R.; O'Donovan, N.; Somers, S.; Gill, G.; Sridhar, S.

    2001-01-01

    To determine if the administration of heparin improves the predictive value of angiography in the investigation of obscure gastrointestinal (GI) bleeding. 18 patients with a history of chronic GI bleeding were investigated with angiography. For 6 patients, the cause of GI bleeding was established with angiography; the 12 patients who had negative results were given heparin for 24 h and were reassessed with angiography. After heparin administration, the source of GI bleeding was determined with angiography for 6 of the remaining 12 patients. Thus, heparinization increased diagnostic yield from 33% (6 of 18) to 67% (12 of 18). No significant complications, such as uncontrolled GI bleeding, occurred. Heparinization improves the diagnostic yield of angiography when obscure GI bleeding is being investigated. (author)

  11. Effects of graphene defect on electronic structures of its interface with organic semiconductor

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Qing-Dan; Wang, Chundong; Mo, Hin-Wai; Lo, Ming-Fai; Yuen, Muk Fung; Ng, Tsz-Wai, E-mail: tszwaing@cityu.edu.hk, E-mail: apcslee@cityu.edu.hk; Zhang, Wen-Jun; Lee, Chun-Sing, E-mail: tszwaing@cityu.edu.hk, E-mail: apcslee@cityu.edu.hk [Department of Physics and Materials Science, Center of Super-Diamond and Advanced Films (COSDAF), City University of Hong Kong (Hong Kong); Dou, Wei-Dong [Department of Physics and Materials Science, Center of Super-Diamond and Advanced Films (COSDAF), City University of Hong Kong (Hong Kong); Physics Department, Shaoxing University, Shaoxing 312000 (China); Tsang, Sai-Wing [Department of Physics and Materials Science, City University of Hong Kong (Hong Kong)

    2015-03-30

    Electronic structures of copper hexadecafluorophthalocyanine (F{sub 16}CuPc)/graphene with different defect density were studied with ultra-violet photoelectron spectroscopy. We showed that the charge transfer interaction and charge flow direction can be interestingly tuned by controlling the defect density of graphene through time-controlled H{sub 2} plasma treatment. By increasing the treatment time of H{sub 2} plasma from 30 s to 5 min, both the interface surface dipole and the electron transporting barrier at F{sub 16}CuPc/graphene interface are significantly reduced from 0.86 to 0.56 eV and 0.71 to 0.29 eV, respectively. These results suggested that graphene's defect control is a simple approach for tuning electronic properties of organic/graphene interfaces.

  12. Covalent defects restrict supramolecular self-assembly of homopolypeptides: case study of β2-fibrils of poly-L-glutamic acid.

    Directory of Open Access Journals (Sweden)

    Aleksandra Fulara

    Full Text Available Poly-L-glutamic acid (PLGA often serves as a model in studies on amyloid fibrils and conformational transitions in proteins, and as a precursor for synthetic biomaterials. Aggregation of PLGA chains and formation of amyloid-like fibrils was shown to continue on higher levels of superstructural self-assembly coinciding with the appearance of so-called β2-sheet conformation manifesting in dramatic redshift of infrared amide I' band below 1600 cm(-1. This spectral hallmark has been attributed to network of bifurcated hydrogen bonds coupling C = O and N-D (N-H groups of the main chains to glutamate side chains. However, other authors reported that, under essentially identical conditions, PLGA forms the conventional in terms of infrared characteristics β1-sheet structure (exciton-split amide I' band with peaks at ca. 1616 and 1683 cm(-1. Here we attempt to shed light on this discrepancy by studying the effect of increasing concentration of intentionally induced defects in PLGA on the tendency to form β1/β2-type aggregates using infrared spectroscopy. We have employed carbodiimide-mediated covalent modification of Glu side chains with n-butylamine (NBA, as well as electrostatics-driven inclusion of polylysine chains, as two different ways to trigger structural defects in PLGA. Our study depicts a clear correlation between concentration of defects in PLGA and increasing tendency to depart from the β2-structure toward the one less demanding in terms of chemical uniformity of side chains: β1-structure. The varying predisposition to form β1- or β2-type aggregates assessed by infrared absorption was compared with the degree of morphological order observed in electron microscopy images. Our results are discussed in the context of latent covalent defects in homopolypeptides (especially with side chains capable of hydrogen-bonding that could obscure their actual propensities to adopt different conformations, and limit applications in the field of

  13. Covalent Defects Restrict Supramolecular Self-Assembly of Homopolypeptides: Case Study of β2-Fibrils of Poly-L-Glutamic Acid

    Science.gov (United States)

    Fulara, Aleksandra; Hernik, Agnieszka; Nieznańska, Hanna; Dzwolak, Wojciech

    2014-01-01

    Poly-L-glutamic acid (PLGA) often serves as a model in studies on amyloid fibrils and conformational transitions in proteins, and as a precursor for synthetic biomaterials. Aggregation of PLGA chains and formation of amyloid-like fibrils was shown to continue on higher levels of superstructural self-assembly coinciding with the appearance of so-called β2-sheet conformation manifesting in dramatic redshift of infrared amide I′ band below 1600 cm−1. This spectral hallmark has been attributed to network of bifurcated hydrogen bonds coupling C = O and N-D (N-H) groups of the main chains to glutamate side chains. However, other authors reported that, under essentially identical conditions, PLGA forms the conventional in terms of infrared characteristics β1-sheet structure (exciton-split amide I′ band with peaks at ca. 1616 and 1683 cm−1). Here we attempt to shed light on this discrepancy by studying the effect of increasing concentration of intentionally induced defects in PLGA on the tendency to form β1/β2-type aggregates using infrared spectroscopy. We have employed carbodiimide-mediated covalent modification of Glu side chains with n-butylamine (NBA), as well as electrostatics-driven inclusion of polylysine chains, as two different ways to trigger structural defects in PLGA. Our study depicts a clear correlation between concentration of defects in PLGA and increasing tendency to depart from the β2-structure toward the one less demanding in terms of chemical uniformity of side chains: β1-structure. The varying predisposition to form β1- or β2-type aggregates assessed by infrared absorption was compared with the degree of morphological order observed in electron microscopy images. Our results are discussed in the context of latent covalent defects in homopolypeptides (especially with side chains capable of hydrogen-bonding) that could obscure their actual propensities to adopt different conformations, and limit applications in the field of synthetic

  14. Quantifying hidden defect in multi-layered structures by using eddy current system combined with a scanner

    International Nuclear Information System (INIS)

    Huang Pingjie; Zhou Zekui; Wu Zhaotong

    2005-01-01

    The eddy current testing forward model of scanning inspection of multi-layered structures is introduced and simulation work is carried out to reveal the interaction between the scanning coil and defects with different geometric properties. A multi-frequency ECT experimental instrument combined with a scanner is established and scanning inspections are performed to detect the artificial etched flaws with different geometric parameters in the multi-layered structures. The predicted signals by the forward model are compared with the measured signals and the defects are characterized

  15. Birth–death process of local structures in defect turbulence described by the one-dimensional complex Ginzburg–Landau equation

    Energy Technology Data Exchange (ETDEWEB)

    Uchiyama, Yusuke, E-mail: r1230160@risk.tsukuba.ac.jp; Konno, Hidetoshi

    2014-04-01

    Defect turbulence described by the one-dimensional complex Ginzburg–Landau equation is investigated and analyzed via a birth–death process of the local structures composed of defects, holes, and modulated amplitude waves (MAWs). All the number statistics of each local structure, in its stationary state, are subjected to Poisson statistics. In addition, the probability density functions of interarrival times of defects, lifetimes of holes, and MAWs show the existence of long-memory and some characteristic time scales caused by zigzag motions of oscillating traveling holes. The corresponding stochastic process for these observations is fully described by a non-Markovian master equation.

  16. Remote defect imaging for plate-like structures based on the scanning laser source technique

    Science.gov (United States)

    Hayashi, Takahiro; Maeda, Atsuya; Nakao, Shogo

    2018-04-01

    In defect imaging with a scanning laser source technique, the use of a fixed receiver realizes stable measurements of flexural waves generated by laser at multiple rastering points. This study discussed the defect imaging by remote measurements using a laser Doppler vibrometer as a receiver. Narrow-band burst waves were generated by modulating laser pulse trains of a fiber laser to enhance signal to noise ratio in frequency domain. Averaging three images obtained at three different frequencies suppressed spurious distributions due to resonance. The experimental system equipped with these newly-devised means enabled us to visualize defects and adhesive objects in plate-like structures such as a plate with complex geometries and a branch pipe.

  17. 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.

  18. Bone scintigraphy in children with obscure skeletal pain

    International Nuclear Information System (INIS)

    Majd, Massoud

    1979-01-01

    In a group of 82 children with focal or generalized skeletal pain of obscure etiology, the radionuclide skeletal scintigraphy was the only, or the most informative, clue to the diagnosis of a variety of benign and malignant conditions. It is strongly recommended that any unexplained bone or joint pain in children be evaluated by this non-invasive technique [fr

  19. Effect of Hydrostatic Pressure on Defect Structure and Durability of Ultrafine-Grained Aluminum

    Czech Academy of Sciences Publication Activity Database

    Betekhtin, V.I.; Kadomtsev, A. G.; Sklenička, Václav; Narykova, M. V.

    2011-01-01

    Roč. 37, č. 10 (2011), s. 977-979 ISSN 1063-7850 Institutional research plan: CEZ:AV0Z20410507 Keywords : defect structure * ultrafine-grained aluminium * durability Subject RIV: JG - Metallurgy Impact factor: 0.565, year: 2011

  20. Carbon Fiber Obscurant: Enhancing Warfighter Effectiveness While Meeting Environmental Regulations

    National Research Council Canada - National Science Library

    Phillips, Carlton T; Checkai, Ronald T; Kuperman, Roman G; Simini, Michael; Chester, Nancy A

    2006-01-01

    ...) material obscuring in the 9-96 GMz range of the electromagnetic spectrum has become critical for the modern Warfighter in order to minimize radar detection by hostile forces, thus saving lives and equipment...

  1. Influence of Cast Iron Structure on the Glassmold Equipment Operational Defects

    Directory of Open Access Journals (Sweden)

    I. O. Leushin

    2015-01-01

    Full Text Available The growing demand for glass packaging contributes to the increase in production capacity of glass-container plants. Their equipment (cast iron glass-forming sets operates in continuous mode under complex cyclic thermal loads, which lead to the formation of operational defects on the working surfaces of details: graphite falling, cracks, oxidation, etc. Particular influence on the formation of these defects renders the microstructure of the material at the time of installation of details on the line.The article identifies the causes for formation of operational defects, formulates the ways to remedy them and prevent their occurrence.The authors studied details made from grey cast iron with flake and spherical forms of graphite. It is found that in the process of exploitation of the material is greatly reducing its hardness, strength, resistance to oxidation through of graphitization processes, chemical interaction of glass and iron, shock loads working edges. It is proved that the choice of initial microstructure of cast iron (the metal base, the graphite form, the presence of structural-free cementite exercises a determining influence on the durability of the mold tooling. The article proposes differential (layered arrangement of the graphite phase of cast iron in the alloy matrix (ferrite. This arrangement of high-carbon phase can simultaneously increase the thermal and oxidation resistance of the material. The formation of a layered structure of iron is produced by the intensification of the processes of alloying, modifying and directional freezing the melt.These data can be used to select the material of details by manufacturers glass-molds tooling.

  2. Non-probabilistic defect assessment for structures with cracks based on interval model

    International Nuclear Information System (INIS)

    Dai, Qiao; Zhou, Changyu; Peng, Jian; Chen, Xiangwei; He, Xiaohua

    2013-01-01

    Highlights: • Non-probabilistic approach is introduced to defect assessment. • Definition and establishment of IFAC are put forward. • Determination of assessment rectangle is proposed. • Solution of non-probabilistic reliability index is presented. -- Abstract: Traditional defect assessment methods conservatively treat uncertainty of parameters as safety factors, while the probabilistic method is based on the clear understanding of detailed statistical information of parameters. In this paper, the non-probabilistic approach is introduced to the failure assessment diagram (FAD) to propose a non-probabilistic defect assessment method for structures with cracks. This novel defect assessment method contains three critical processes: establishment of the interval failure assessment curve (IFAC), determination of the assessment rectangle, and solution of the non-probabilistic reliability degree. Based on the interval theory, uncertain parameters such as crack sizes, material properties and loads are considered as interval variables. As a result, the failure assessment curve (FAC) will vary in a certain range, which is defined as IFAC. And the assessment point will vary within a rectangle zone which is defined as an assessment rectangle. Based on the interval model, the establishment of IFAC and the determination of the assessment rectangle are presented. Then according to the interval possibility degree method, the non-probabilistic reliability degree of IFAC can be determined. Meanwhile, in order to clearly introduce the non-probabilistic defect assessment method, a numerical example for the assessment of a pipe with crack is given. In addition, the assessment result of the proposed method is compared with that of the traditional probabilistic method, which confirms that this non-probabilistic defect assessment can reasonably resolve the practical problem with interval variables

  3. Non-probabilistic defect assessment for structures with cracks based on interval model

    Energy Technology Data Exchange (ETDEWEB)

    Dai, Qiao; Zhou, Changyu, E-mail: changyu_zhou@163.com; Peng, Jian; Chen, Xiangwei; He, Xiaohua

    2013-09-15

    Highlights: • Non-probabilistic approach is introduced to defect assessment. • Definition and establishment of IFAC are put forward. • Determination of assessment rectangle is proposed. • Solution of non-probabilistic reliability index is presented. -- Abstract: Traditional defect assessment methods conservatively treat uncertainty of parameters as safety factors, while the probabilistic method is based on the clear understanding of detailed statistical information of parameters. In this paper, the non-probabilistic approach is introduced to the failure assessment diagram (FAD) to propose a non-probabilistic defect assessment method for structures with cracks. This novel defect assessment method contains three critical processes: establishment of the interval failure assessment curve (IFAC), determination of the assessment rectangle, and solution of the non-probabilistic reliability degree. Based on the interval theory, uncertain parameters such as crack sizes, material properties and loads are considered as interval variables. As a result, the failure assessment curve (FAC) will vary in a certain range, which is defined as IFAC. And the assessment point will vary within a rectangle zone which is defined as an assessment rectangle. Based on the interval model, the establishment of IFAC and the determination of the assessment rectangle are presented. Then according to the interval possibility degree method, the non-probabilistic reliability degree of IFAC can be determined. Meanwhile, in order to clearly introduce the non-probabilistic defect assessment method, a numerical example for the assessment of a pipe with crack is given. In addition, the assessment result of the proposed method is compared with that of the traditional probabilistic method, which confirms that this non-probabilistic defect assessment can reasonably resolve the practical problem with interval variables.

  4. Defect structure of yttria-stabilized zirconia and its influence on the ionic conductivity at elevated temperatures

    DEFF Research Database (Denmark)

    Goff, J.P.; Hayes, W.; Hull, S.

    1999-01-01

    The defect structure of cubic fluorite structured yttria-stabilized zirconia (ZrO2)(1-x)(Y2O3)(x) has been investigated over the composition range 0.100(3)less than or equal to x less than or equal to 0.241 (10) and temperatures T(K) up to 2780(10) K, using single-crystal specimens. Analysis of n......, we propose that the anomalous decrease in the ionic conductivity with increasing x is a consequence of the decreasing mobility of the isolated defects, possibly due to blockage by the increasing number of static aggregates....

  5. TCM Analysis of Defected Ground Structures for MIMO Antenna Designs in Mobile Terminals

    KAUST Repository

    Ghalib, Asim; Sharawi, Mohammad S.

    2017-01-01

    In this paper, the theory of characteristic modes (TCM) is used for the first time to analyze the behavior of defected ground structures (DGS) when added to antenna designs. A properly designed DGS introduces currents opposite in direction

  6. The [O III] Profiles of Infrared-selected Active Galactic Nuclei: More Powerful Outflows in the Obscured Population

    Science.gov (United States)

    DiPompeo, M. A.; Hickox, R. C.; Carroll, C. M.; Runnoe, J. C.; Mullaney, J. R.; Fischer, T. C.

    2018-03-01

    We explore the kinematics of ionized gas via the [O III] λ5007 emission lines in active galactic nuclei (AGNs) selected on the basis of their mid-infrared (IR) emission, and split into obscured and unobscured populations based on their optical‑IR colors. After correcting for differences in redshift distributions, we provide composite spectra of spectroscopically and photometrically defined obscured/Type 2 and unobscured/Type 1 AGNs from 3500 to 7000 Å. The IR-selected obscured sources contain a mixture of narrow-lined Type 2 AGNs and intermediate sources that have broad Hα emission and significantly narrower Hβ. Using both [O III] luminosities and AGN luminosities derived from optical‑IR spectral energy distribution fitting, we find evidence for enhanced large-scale obscuration in the obscured sources. In matched bins of luminosity we find that the obscured population typically has broader, more blueshifted [O III] emission than in the unobscured sample, suggestive of more powerful AGN-driven outflows. This trend is not seen in spectroscopically classified samples, and is unlikely to be entirely explained by orientation effects. In addition, outflow velocities increase from small to moderate AGN E(B ‑ V) values, before flattening out (as traced by FWHM) and even decreasing (as traced by blueshift). While difficult to fully interpret in a single physical model, due to both the averaging over populations and the spatially averaged spectra, these results agree with previous findings that simple geometric unification models are insufficient for the IR-selected AGN population, and may fit into an evolutionary model for obscured and unobscured AGNs.

  7. Evaluation of defect density by top-view large scale AFM on metamorphic structures grown by MOVPE

    Energy Technology Data Exchange (ETDEWEB)

    Gocalinska, Agnieszka, E-mail: agnieszka.gocalinska@tyndall.ie; Manganaro, Marina; Dimastrodonato, Valeria; Pelucchi, Emanuele

    2015-09-15

    Highlights: • Metamorphic buffer layers of In{sub x}Ga{sub 1−x}As were grown by MOVPE and characterised by AFM and TEM. • It was found that AFM provides sufficient information to estimate threading defect density in metamorphic structures, even when significant roughness is present. • When planar-view TEM is lacking, a combination of cross-sectional TEM and large scale AFM can provide good evaluation of the material quality. • It is fast, cheap and non-destructive – can be very useful in development process of complicated structures, requiring multiple test growths and characterisation. - Abstract: We demonstrate an atomic force microscopy based method for estimation of defect density by identification of threading dislocations on a non-flat surface resulting from metamorphic growth. The discussed technique can be applied as an everyday evaluation tool for the quality of epitaxial structures and allow for cost reduction, as it lessens the amount of the transmission electron microscopy analysis required at the early stages of projects. Metamorphic structures with low surface defectivities (below 10{sup 6}) were developed successfully with the application of the technique, proving its usefulness in process optimisation.

  8. Irradiation defect structures in YBa2Cu3O7-x and their correlation with superconducting properties

    International Nuclear Information System (INIS)

    Kirk, M.A.

    1990-11-01

    We review our work on irradiation effects in single crystal YBa 2 CU 3 O 7-x . Transmission electron microscopy has been employed to study the defect microstructures produced by irradiations with fast neutrons, MeV ions (Kr, Ne and p), and electrons. The atomic structure within defect cascades was investigated using 50 keV Kr and Xe ion irradiations to low doses. Evidence is shown for an amorphous structure with some incoherent recrystallization within individual cascades. Correlation with enhancements in critical current density produced by neutron irradiations suggest that this cascade structure effectively pins magnetic flux lines. At sufficiently high fluences of fast neutrons or MeV Kr and Ne ions, a cellular microstructure is found. This structure consists of cells or microcrystallites of good cystalline and superconducting material (in the case of neutron irradiation), with cell walls of amorphous material. Full amorphization proceeds with the growth of cell wall volume. The formation of this microstructure coincides with a decrease in critical transport current, but is not observed by magnetization measurements. Increases in critical current density under proton irradiation, comparable to those produced by neutron irradiation, have been reported. The defect structure produced by proton irradiations is examined here and found to differ from that of neutron irradiations. Our most recent measurements of changes in critical temperature and current density, and defect microstructure following electron irradiations will be described. 20 refs., 6 figs

  9. Clinical approach to obscure GI bleeding - Diagnostic testing and management

    Directory of Open Access Journals (Sweden)

    Prashanth Prabakaran

    2013-01-01

    Full Text Available Obscure gastrointestinal bleeding (OGIB can present as a diagnostic dilemma and management can be challenging. The search for causes of OGIB is usually centered on visualizing the small bowel, and in the past decade, the technology to visualize the entire small bowel has significantly advanced. Moreover, small bowel endoscopic imaging has replaced, in many instances, prior radiographic evaluation for obscure GI bleeding. These new modalities, such as small bowel capsule endoscopy (CE, balloon-assisted deep enteroscopy [double balloon enteroscopy (DBE and single balloon enteroscopy (SBE], and overtube-assisted deep enteroscopy (spiral enteroscopy, are paving the way toward more accurately identifying and treating patients with OGIB. We will review the diagnostic modalities available in evaluating a patient with OGIB and also propose the management based on clinical and endoscopic findings.

  10. 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

  11. Large Scale Obscuration and Related Climate Effects Workshop: Proceedings

    Energy Technology Data Exchange (ETDEWEB)

    Zak, B.D.; Russell, N.A.; Church, H.W.; Einfeld, W.; Yoon, D.; Behl, Y.K. [eds.

    1994-05-01

    A Workshop on Large Scale Obsurcation and Related Climate Effects was held 29--31 January, 1992, in Albuquerque, New Mexico. The objectives of the workshop were: to determine through the use of expert judgement the current state of understanding of regional and global obscuration and related climate effects associated with nuclear weapons detonations; to estimate how large the uncertainties are in the parameters associated with these phenomena (given specific scenarios); to evaluate the impact of these uncertainties on obscuration predictions; and to develop an approach for the prioritization of further work on newly-available data sets to reduce the uncertainties. The workshop consisted of formal presentations by the 35 participants, and subsequent topical working sessions on: the source term; aerosol optical properties; atmospheric processes; and electro-optical systems performance and climatic impacts. Summaries of the conclusions reached in the working sessions are presented in the body of the report. Copies of the transparencies shown as part of each formal presentation are contained in the appendices (microfiche).

  12. First-principles study of structural, electronic, and optical properties of surface defects in GaAs(001) - β2(2x4)

    Science.gov (United States)

    Bacuyag, Dhonny; Escaño, Mary Clare Sison; David, Melanie; Tani, Masahiko

    2018-06-01

    We performed first-principles calculations based on density functional theory (DFT) to investigate the role of point defects in the structural, electronic, and optical properties of the GaAs(001)- β2(2x4). In terms of structural properties, AsGa is the most stable defect structure, consistent with experiments. With respect to the electronic structure, band structures revealed the existence of sub-band and midgap states for all defects. The induced sub-bands and midgap states originated from the redistributions of charges towards these defects and neighboring atoms. The presence of these point defects introduced deep energy levels characteristic of EB3 (0.97 eV), EL4 (0.52 eV), and EL2 (0.82 eV) for AsGa, GaAs, GaV, respectively. The optical properties are found to be strongly related to these induced gap states. The calculated onset values in the absorption spectra, corresponding to the energy gaps, confirmed the absorption below the known bulk band gap of 1.43 eV. These support the possible two-step photoabsorption mediated by midgap states as observed in experiments.

  13. Defect structure, nonstoichiometry, and phase stability of Ca-doped YCrO3

    International Nuclear Information System (INIS)

    Carini, G.F. II; Anderson, H.U.; Nasrallah, M.M.; Sparlin, D.M.

    1991-01-01

    The dependence of the defect structure of Ca-doped YCrO 3 on oxygen activity and temperature was investigated by high temperature thermogravimetric measurements. Defect models developed from electrical conductivity data obtained in a previous study were used to interpret the thermogravimetric data. A correlation was found between the electrical conductivity and the thermogravimetric data which suggested that these data were concomitantly dependent on the acceptor dopant and oxygen vacancy dependence of the thermodynamic parameters. Kroeger-Vink type diagrams showing the regions of stability with respect to oxygen activity and temperature were constructed. The TGA data show that Ca-doped YCrO 3 is even more stable toward reduction than doped LaCrO 3

  14. Effects of deep impurities and structural defects in polycrystalline silicon for photovoltaic applications

    International Nuclear Information System (INIS)

    Galluzzi, F.; Scafe, E.; Beghi, M.; Fossati, S.; Tincani, M.; Pizzini, S.

    1985-01-01

    An extensive experimental study of minority carrier recombination in CZ grown polycrystalline silicon intentionally doped with metallic impurities (Ti, V, Fe, Cr, Zr) is reported. Experimental values of average diffusion lengths have been compared with values calculated by a simple model of carrier recombination, taking into account the effects of impurities, grain boundaries and intragrain crystal defects. The results are fairly consistent and allow the determination of threshold densities for structural defects and deep impurities. The author's analysis gives a simple quantitative description of recombination processes in solar-grade silicon, as far as the average behaviour is concerned

  15. Readability of self-illuminated signs in a smoke-obscured environment.

    Science.gov (United States)

    1979-11-01

    This study investigates the ability of people with normal distant visual acuity to identify self-illuminated emergency signs in a smoke-obscured environment. The results indicate that signs whose background luminance meets or exceeds the requirements...

  16. Thermodynamic properties of nonstoichiometric H-Nb2 Osub(5-x) derived from a statistical model of its defect structure

    International Nuclear Information System (INIS)

    Schilling, O.F.

    1986-01-01

    A statistical method for the treatment of the defect structure of oxides is applied to H-Nb 2 Osub(5-x) and its thermodynamic properties are derived as a function of x and temperature. The results based on a model of Nb O 3 vacancy clusters located at the tetrahedral columns of the structure presented very good agreement with experimental data in the literature [2]. Further, the predicted arrangement of the clusters of vacancies along the columns at the limiting composition of the H-Nb 2 O 5 phase indicates, according to recent electron microscopy experiments [18, 19], that the initial step of the transformation is the collapse of the structure around rows of defective sites along the columns, involving Andersson and Wadsley's [20] cooperative migration of atoms. The limiting compositions of the H-Nb 2 O 5 and Nb 53 O 132 phases are also correctly predicted on the basis of electrostatic interactions among defect units only. Thus elastic interactions among planar defects appear to affect only the arrangement of such defects, and not the compositions of the initial and final compounds. (author)

  17. Synthesis and structural characterization of defect spinels in the Lithium-Manganese-Oxide system

    CSIR Research Space (South Africa)

    Thackeray, MM

    1993-10-01

    Full Text Available Lithium-manganese-oxides prepared at moderate temperatures are under investigation as insertion electrodes for rechargeable lithium batteries. The structures of two defect-spinel compounds synthesised by the reaction of MnCO3 and Li2CO3 at 400...

  18. Defects in ZnO, CdTe, and Si: Optical, structural, and electrical characterization

    CERN Multimedia

    Deicher, M; Kronenberg, J; Johnston, K; Roder, J; Byrne, D J

    Electronic and optical properties of semiconductors are extremely sensitive to defects and impurities that have localized electronic states with energy levels in the band gap of the semiconductor. Spectroscopic techniques like photo-luminescence (PL), deep level transient spectroscopy (DLTS), or Hall effect that are able to detect and characterize band gap states do not reveal direct information about their microscopic origin. To overcome this chemical "blindness" radioactive isotopes are used as a tracer. Moreover, the recoil energies involved in ${\\beta}$- and ${\\gamma}$-decays can be used to create intrinsic, isolated point defects (interstitials, vacancies) in a controlled way. A microscopic insight into the structure and the thermodynamic properties of complexes formed by interacting defects can be gained by detecting the hyperfine interaction between the nuclear moments of radioactive dopants and the electromagnetic fields present at the site of the radioactive nucleus. These techniques will be used to...

  19. Importance of doping, dopant distribution, and defects on electronic band structure alteration of metal oxide nanoparticles: Implications for reactive oxygen species

    International Nuclear Information System (INIS)

    Saleh, Navid B.; Milliron, Delia J.; Aich, Nirupam; Katz, Lynn E.; Liljestrand, Howard M.; Kirisits, Mary Jo

    2016-01-01

    Metal oxide nanoparticles (MONPs) are considered to have the potency to generate reactive oxygen species (ROS), one of the key mechanisms underlying nanotoxicity. However, the nanotoxicology literature demonstrates a lack of consensus on the dominant toxicity mechanism(s) for a particular MONP. Moreover, recent literature has studied the correlation between band structure of pristine MONPs to their ability to introduce ROS and thus has downplayed the ROS-mediated toxicological relevance of a number of such materials. On the other hand, material science can control the band structure of these materials to engineer their electronic and optical properties and thereby is constantly modulating the pristine electronic structure. Since band structure is the fundamental material property that controls ROS-producing ability, band tuning via introduction of dopants and defects needs careful consideration in toxicity assessments. This commentary critically evaluates the existing material science and nanotoxicity literature and identifies the gap in our understanding of the role of important crystal structure features (i.e., dopants and defects) on MONPs' electronic structure alteration as well as their ROS-generation capability. Furthermore, this commentary provides suggestions on characterization techniques to evaluate dopants and defects on the crystal structure and identifies research needs for advanced theoretical predictions of their electronic band structures and ROS-generation abilities. Correlation of electronic band structure and ROS will not only aid in better mechanistic assessment of nanotoxicity but will be impactful in designing and developing ROS-based applications ranging from water disinfection to next-generation antibiotics and even cancer therapeutics. - Highlights: • Metal oxide nanoparticles (MONPs) produce reactive oxygen species (ROS) • Band structure of pristine MONPs is different than those with dopants/defects • Dopants/defects modulate

  20. Importance of doping, dopant distribution, and defects on electronic band structure alteration of metal oxide nanoparticles: Implications for reactive oxygen species

    Energy Technology Data Exchange (ETDEWEB)

    Saleh, Navid B., E-mail: navid.saleh@utexas.edu [Department of Civil, Architectural, and Environmental Engineering, University of Texas, Austin, TX 78712 (United States); Milliron, Delia J. [McKetta Department of Chemical Engineering, University of Texas, Austin, TX 78712 (United States); Aich, Nirupam [Department of Civil, Structural and Environmental Engineering, University at Buffalo, The State University of New York, Buffalo, NY, 14260 (United States); Katz, Lynn E.; Liljestrand, Howard M.; Kirisits, Mary Jo [Department of Civil, Architectural, and Environmental Engineering, University of Texas, Austin, TX 78712 (United States)

    2016-10-15

    Metal oxide nanoparticles (MONPs) are considered to have the potency to generate reactive oxygen species (ROS), one of the key mechanisms underlying nanotoxicity. However, the nanotoxicology literature demonstrates a lack of consensus on the dominant toxicity mechanism(s) for a particular MONP. Moreover, recent literature has studied the correlation between band structure of pristine MONPs to their ability to introduce ROS and thus has downplayed the ROS-mediated toxicological relevance of a number of such materials. On the other hand, material science can control the band structure of these materials to engineer their electronic and optical properties and thereby is constantly modulating the pristine electronic structure. Since band structure is the fundamental material property that controls ROS-producing ability, band tuning via introduction of dopants and defects needs careful consideration in toxicity assessments. This commentary critically evaluates the existing material science and nanotoxicity literature and identifies the gap in our understanding of the role of important crystal structure features (i.e., dopants and defects) on MONPs' electronic structure alteration as well as their ROS-generation capability. Furthermore, this commentary provides suggestions on characterization techniques to evaluate dopants and defects on the crystal structure and identifies research needs for advanced theoretical predictions of their electronic band structures and ROS-generation abilities. Correlation of electronic band structure and ROS will not only aid in better mechanistic assessment of nanotoxicity but will be impactful in designing and developing ROS-based applications ranging from water disinfection to next-generation antibiotics and even cancer therapeutics. - Highlights: • Metal oxide nanoparticles (MONPs) produce reactive oxygen species (ROS) • Band structure of pristine MONPs is different than those with dopants/defects • Dopants/defects modulate

  1. Identifying Structural Flow Defects in Disordered Solids Using Machine-Learning Methods

    Science.gov (United States)

    Cubuk, E. D.; Schoenholz, S. S.; Rieser, J. M.; Malone, B. D.; Rottler, J.; Durian, D. J.; Kaxiras, E.; Liu, A. J.

    2015-03-01

    We use machine-learning methods on local structure to identify flow defects—or particles susceptible to rearrangement—in jammed and glassy systems. We apply this method successfully to two very different systems: a two-dimensional experimental realization of a granular pillar under compression and a Lennard-Jones glass in both two and three dimensions above and below its glass transition temperature. We also identify characteristics of flow defects that differentiate them from the rest of the sample. Our results show it is possible to discern subtle structural features responsible for heterogeneous dynamics observed across a broad range of disordered materials.

  2. Announcment: Conference on Obscured AGN Across Cosmic Time

    Science.gov (United States)

    2006-12-01

    Current deep surveys, notably in X-rays and the mid-IR, are making it possible to carry out a census of essentially all the luminous AGN in the Universe. By pene-trating the obscuration that, in Type 2 sources, hides the nuclear regions in the UV to the near-IR spectrum, these new surveys are finding the radio quiet coun-terparts of the powerful radio galaxies.

  3. Microstrip linear phase low pass filter based on defected ground structures for partial response modulation

    DEFF Research Database (Denmark)

    Cimoli, Bruno; Johansen, Tom Keinicke; Olmos, Juan Jose Vegas

    2018-01-01

    We report a high performance linear phase low pass filter (LPF) designed for partial response (PR) modulations. For the implementation, we adopted microstrip technology and a variant of the standard stepped‐impedance technique. Defected ground structures (DGS) are used for increasing the characte......We report a high performance linear phase low pass filter (LPF) designed for partial response (PR) modulations. For the implementation, we adopted microstrip technology and a variant of the standard stepped‐impedance technique. Defected ground structures (DGS) are used for increasing...... the characteristic impedance of transmission lines. Experimental results prove that the proposed filter can successfully modulate a non‐return‐to‐zero (NRZ) signal into a five levels PR one....

  4. Synthesis and structural characterization of defect spinels in the lithium-manganese-oxide system

    CSIR Research Space (South Africa)

    Thackeray, MM

    1993-10-01

    Full Text Available Lithium-manganese-oxides prepared at moderate temperatures are under investigation as insertion electrodes for rechargeable lithium batteries. The structures of two defect-spinel compounds synthesized by the reaction of MnCO3 and Li2CO3 at 400°C...

  5. Influence of defect structure on magnetic and electronic properties of Hg1-x Crx Se and Hg1-x Cox Se

    International Nuclear Information System (INIS)

    Prozorovskij, V.D.; Reshidova, I.Yu.; Puzynya, A.I.; Paranchich, Yu.S.

    1996-01-01

    The results of experimental investigations of the Shubnikov-de Haas oscillations at superhigh frequencies, electron spin resonance, magnetic susceptibility, relaxation dielectric losses, and galvanomagnetic measurements in the Hg 1-x Cr x Se and Hg 1-x Co x Se single crystal samples are presented. Analysis of the results Hg 1-x Cr x Se and Hg 1-x Co x Se depend on the defect structure of the substance and the type of defects making this structure. The manifestation of critical phenomena in Hg 1-x Cr x Se also depends on the defect structure

  6. Obscured asymptotic giant branch stars in the Magellanic Clouds .2. Near-infrared and mid-infrared counterparts

    NARCIS (Netherlands)

    Zijlstra, AA; Loup, C; Waters, LBFM; Whitelock, PA; vanLoon, JT; Guglielmo, F

    1996-01-01

    We have carried out an infrared search for obscured asymptotic giant branch (AGB) stars in the Magellanic Clouds. Fields were observed in the vicinity of IRAS sources with colours and flux densities consistent with such a classification. The survey uncovered a number of obscured AGE stars as well as

  7. Structural and optical studies on mesoscopic defect structure in highly conductive AgI-ZnO composites

    International Nuclear Information System (INIS)

    Fujishiro, Fumito; Mochizuki, Shosuke

    2003-01-01

    The electrical conductivity of (x)AgI-(1-x)ZnO (0≤x≤1) composites at room temperature increases with increasing AgI content and reaches a maximum at about 50% AgI. The results obtained by the scanning electron microscopy, X-ray diffractometry and photoluminescence spectroscopy have clarified high-ionic-conduction pathways related to mesoscopic defect structure at AgI/ZnO interfaces and mesoscopically disordered structure in AgI domain. We have observed also new optical phenomenon, which may arise from excitation energy transfer between AgI-exciton and photoinduced oxygen vacancy at the AgI/ZnO interface

  8. DEEP LEARNING AND IMAGE PROCESSING FOR AUTOMATED CRACK DETECTION AND DEFECT MEASUREMENT IN UNDERGROUND STRUCTURES

    Directory of Open Access Journals (Sweden)

    F. Panella

    2018-05-01

    Full Text Available This work presents the combination of Deep-Learning (DL and image processing to produce an automated cracks recognition and defect measurement tool for civil structures. The authors focus on tunnel civil structures and survey and have developed an end to end tool for asset management of underground structures. In order to maintain the serviceability of tunnels, regular inspection is needed to assess their structural status. The traditional method of carrying out the survey is the visual inspection: simple, but slow and relatively expensive and the quality of the output depends on the ability and experience of the engineer as well as on the total workload (stress and tiredness may influence the ability to observe and record information. As a result of these issues, in the last decade there is the desire to automate the monitoring using new methods of inspection. The present paper has the goal of combining DL with traditional image processing to create a tool able to detect, locate and measure the structural defect.

  9. Heavy X-ray obscuration in the most luminous galaxies discovered by WISE

    Science.gov (United States)

    Vito, F.; Brandt, W. N.; Stern, D.; Assef, R. J.; Chen, C.-T. J.; Brightman, M.; Comastri, A.; Eisenhardt, P.; Garmire, G. P.; Hickox, R.; Lansbury, G.; Tsai, C.-W.; Walton, D. J.; Wu, J. W.

    2018-03-01

    Hot dust-obscured galaxies (DOGs) are hyperluminous (L8-1000 μm > 1013 L⊙) infrared galaxies with extremely high (up to hundreds of K) dust temperatures. The sources powering both their extremely high luminosities and dust temperatures are thought to be deeply buried and rapidly accreting supermassive black holes (SMBHs). Hot DOGs could therefore represent a key evolutionary phase in which the SMBH growth peaks. X-ray observations can be used to study their obscuration levels and luminosities. In this work, we present the X-ray properties of the 20 most luminous (Lbol ≳ 1014 L⊙) known hot DOGs at z = 2-4.6. Five of them are covered by long-exposure (10-70 ks) Chandra and XMM-Newton observations, with three being X-ray detected, and we study their individual properties. One of these sources (W0116-0505) is a Compton-thick candidate, with column density NH = (1.0-1.5) × 1024 cm-2 derived from X-ray spectral fitting. The remaining 15 hot DOGs have been targeted by a Chandra snapshot (3.1 ks) survey. None of these 15 are individually detected; therefore, we applied a stacking analysis to investigate their average emission. From hardness ratio analysis, we constrained the average obscuring column density and intrinsic luminosity to be log NH (cm-2) > 23.5 and LX ≳ 1044 erg s-1, which are consistent with results for individually detected sources. We also investigated the LX-L6 μm and LX-Lbol relations, finding hints that hot DOGs are typically X-ray weaker than expected, although larger samples of luminous obscured quasi-stellar objects are needed to derive solid conclusions.

  10. Demonstration for the Applicability of the EPRI ETSS on the SG Tube Wear Defects Formed at the Tube Support Structure

    International Nuclear Information System (INIS)

    Shin, Ki Seok; Cheon, Keun Young; Nam, Min Woo; Min, Kyong Mahn

    2013-01-01

    In this paper, the authorized EPRI ETSS 27906.2 applied to the detection of tapered wear volumetric indications and depth sizing within the free span area, loose part not present was reviewed and applied to the site SG tubes for getting the actual value of the wear depth and providing structural integrity interpretation based on engineering evaluation. The experiment to demonstrate the applicability of EPRI ETSS was performed by the employment of the newly prepared STD tube and resulted in ensuring the effectiveness and equivalency of the EPRI ETSS as well. The authorized EPRI ETSS 27906.2 for getting the actual value of the wear depth and providing structural integrity interpretation based on engineering evaluation was reviewed and applied to the site SG tubes. The testing results were reviewed with the influences of SG tube material and the support structure. The impact of the tube materials was insignificant and that of the tube support structure showed somewhat conservative results. The testing resulted in successful demonstration of applicability of the EPRI ETSS on the SG tube wear defects at the tube support. One of the major flaw mechanisms detected in the currently operating domestic OPR-1000 pressurized water reactors(PWR's) steam generator(SG) tubes is wear defect. In general, wear defect has been constantly detected in the upper tube bundle imposed to the flow induced vibration interaction between tube and its support structure, and the quantity of the affected tubes has also shown the tendency to increase as plant operation life is added. In order to take appropriate measures and maintain the structural integrity for the SG tubes, wear defect is currently categorized as active damage mechanism and the tubes containing 40% or greater wear depth of the nominal tube wall thickness shall be plugged per SGMP(SG Management Program) Recently, a fairly large amplitude of wear defects on the Batwing(BW), one of the upper tube support structures in the SG tubes

  11. Demonstration for the Applicability of the EPRI ETSS on the SG Tube Wear Defects Formed at the Tube Support Structure

    Energy Technology Data Exchange (ETDEWEB)

    Shin, Ki Seok; Cheon, Keun Young; Nam, Min Woo [Korea Hydro and Nuclear Power Co. Ltd, Daejeon (Korea, Republic of); Min, Kyong Mahn [Universal Monitoring and Inspection Inc., Daejeon (Korea, Republic of)

    2013-10-15

    In this paper, the authorized EPRI ETSS 27906.2 applied to the detection of tapered wear volumetric indications and depth sizing within the free span area, loose part not present was reviewed and applied to the site SG tubes for getting the actual value of the wear depth and providing structural integrity interpretation based on engineering evaluation. The experiment to demonstrate the applicability of EPRI ETSS was performed by the employment of the newly prepared STD tube and resulted in ensuring the effectiveness and equivalency of the EPRI ETSS as well. The authorized EPRI ETSS 27906.2 for getting the actual value of the wear depth and providing structural integrity interpretation based on engineering evaluation was reviewed and applied to the site SG tubes. The testing results were reviewed with the influences of SG tube material and the support structure. The impact of the tube materials was insignificant and that of the tube support structure showed somewhat conservative results. The testing resulted in successful demonstration of applicability of the EPRI ETSS on the SG tube wear defects at the tube support. One of the major flaw mechanisms detected in the currently operating domestic OPR-1000 pressurized water reactors(PWR's) steam generator(SG) tubes is wear defect. In general, wear defect has been constantly detected in the upper tube bundle imposed to the flow induced vibration interaction between tube and its support structure, and the quantity of the affected tubes has also shown the tendency to increase as plant operation life is added. In order to take appropriate measures and maintain the structural integrity for the SG tubes, wear defect is currently categorized as active damage mechanism and the tubes containing 40% or greater wear depth of the nominal tube wall thickness shall be plugged per SGMP(SG Management Program) Recently, a fairly large amplitude of wear defects on the Batwing(BW), one of the upper tube support structures in the SG

  12. Structural defect generation in indium antimonide single crystals during electro-erosion cutting

    International Nuclear Information System (INIS)

    Kravetskij, M.Yu.; Matsas, E.P.; Skorokhod, M.Ya.; Fomin, A.V.; Khromyak, K.Ya.

    1990-01-01

    Using X-ray topography structural defects generating during electro-erosion cutting of InSb single crystals are studied. It is shown that dislocations, are introduced into so cut dislocation-free ingot plates, nucleation centers being located on their surfaces. It is detected that foreign phase inclusions in InSb are efficient sources of dislocations during cutting

  13. 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

  14. Dislocations and related defects in niobium oxide structures

    Energy Technology Data Exchange (ETDEWEB)

    Anderson, J S; Hutchinson, J L; Lincoln, F J [Oxford Univ. (UK). Inorganic Chemistry Lab.

    1977-01-07

    Lattice images of the niobium oxides, structures based on the linkage of octahedral groups in continuous networks, occasionally contain features recognizable as dislocations. Since lattice imaging enables the microstructure to be resolved in greater detail, at the level of local structural organization, it is possible to determine the configuration, and also to infer the chemical composition, of dislocated areas. By treating the niobium oxide 'block' structures as superstructures of the ReO/sub 3/ (DO/sub 9/) type, the topology of dislocations can be expressed by relations between the insertion (or deletion) of one or more half-planes of cations, or of oxygen atoms only, changes in the number of crystallographic shear plane interfaces between blocks or columns, changes in (idealized) dimensions and any requisite distortion in the third dimension. Mapping the structure around a dislocation, from the lattice image, is directly equivalent to plotting the Burgers' circuit. In this way, the precise nature of a dislocating perturbation and its implications for the local chemical composition of the crystal can be directly identified. The method is exemplified by analysis of dislocations and of related extended defects of several types, associated with twinning phenomena, semicoherent intergrowth between different ReO/sub 3/-type superstructures and arrays building up a low angle boundary. The essential features of the analysis are not restricted to structures of the niobium oxide type, but can be extended to other types of polyhedron networks.

  15. Structural Defects in Donor-Acceptor Blends: Influence on the Performance of Organic Solar Cells

    Science.gov (United States)

    Sergeeva, Natalia; Ullbrich, Sascha; Hofacker, Andreas; Koerner, Christian; Leo, Karl

    2018-02-01

    Defects play an important role in the performance of organic solar cells. The investigation of trap states and their origin can provide ways to further improve their performance. Here, we investigate defects in a system composed of the small-molecule oligothiophene derivative DCV5T-Me blended with C60 , which shows power conversion efficiencies above 8% when used in a solar cell. From a reconstruction of the density of trap states by impedance spectroscopy, we obtain a Gaussian distribution of trap states with Et=470 meV below the electron transport level, Nt=8 ×1014 cm-3 , and σt=41 meV . From Voc vs illumination intensity and open-circuit corrected charge carrier extraction measurements, we find that these defects lead to trap-assisted recombination. Moreover, drift-diffusion simulations show that the trap states decrease the fill factor by 10%. By conducting degradation measurements and varying the blend ratio, we find that the observed trap states are structural defects in the C60 phase due to the distortion of the natural morphology induced by the mixing.

  16. Secondary defects in non-metallic solids

    International Nuclear Information System (INIS)

    Ashbee, K.H.G.; Hobbs, L.W.

    1977-01-01

    This paper points out features of secondary defect formation which are peculiar to non-metallic solids (excluding elemental semiconductors). Most of the materials of interest are compounds of two or more (usually more or less ionic) atomic species, and immediate consequence of which is a need to maintain both stoichiometry (or accommodate non-stoichiometry) and order. Primary defects in these solids, whether produced thermally, chemically or by irradiation, seldom are present or aggregate in exactly stoichiometric proportions, and the resulting extending defect structures can be quite distinct from those found in metallic solids. Where stoichiometry is maintained, it is often convenient to describe extended defects in terms of alterations in the arrangement of 'molecular' units. The adoption of this procedure enables several novel features of extended defect structures in non-metals to be explained. There are several ways in which a range of non-stoichiometry can be accommodated, which include structural elimination of point defects, nucleation of new coherent phases of altered stoichiometry, and decomposition. (author)

  17. Defects at oxide surfaces

    CERN Document Server

    Thornton, Geoff

    2015-01-01

    This book presents the basics and characterization of defects at oxide surfaces. It provides a state-of-the-art review of the field, containing information to the various types of surface defects, describes analytical methods to study defects, their chemical activity and the catalytic reactivity of oxides. Numerical simulations of defective structures complete the picture developed. Defects on planar surfaces form the focus of much of the book, although the investigation of powder samples also form an important part. The experimental study of planar surfaces opens the possibility of applying the large armoury of techniques that have been developed over the last half-century to study surfaces in ultra-high vacuum. This enables the acquisition of atomic level data under well-controlled conditions, providing a stringent test of theoretical methods. The latter can then be more reliably applied to systems such as nanoparticles for which accurate methods of characterization of structure and electronic properties ha...

  18. Atomic-scale structure and properties of highly stable antiphase boundary defects in Fe3O4.

    Science.gov (United States)

    McKenna, Keith P; Hofer, Florian; Gilks, Daniel; Lazarov, Vlado K; Chen, Chunlin; Wang, Zhongchang; Ikuhara, Yuichi

    2014-12-10

    The complex and intriguing properties of the ferrimagnetic half metal magnetite (Fe 3 O 4 ) are of continuing fundamental interest as well as being important for practical applications in spintronics, magnetism, catalysis and medicine. There is considerable speculation concerning the role of the ubiquitous antiphase boundary (APB) defects in magnetite, however, direct information on their structure and properties has remained challenging to obtain. Here we combine predictive first principles modelling with high-resolution transmission electron microscopy to unambiguously determine the three-dimensional structure of APBs in magnetite. We demonstrate that APB defects on the {110} planes are unusually stable and induce antiferromagnetic coupling between adjacent domains providing an explanation for the magnetoresistance and reduced spin polarization often observed. We also demonstrate how the high stability of the {110} APB defects is connected to the existence of a metastable bulk phase of Fe 3 O 4 , which could be stabilized by strain in films or nanostructures.

  19. 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.)

  20. Thermal annealing of carbon nanotubes reveals a toxicological impact of the structural defects

    Energy Technology Data Exchange (ETDEWEB)

    Figarol, Agathe, E-mail: figarol@emse.fr [Ecole Nationale Supérieure des Mines, SPIN-EMSE, CNRS: UMR 5307, LGF (France); Pourchez, Jérémie, E-mail: pourchez@emse.fr [Ecole Nationale Supérieure des Mines, CIS-EMSE, EA 4624, SFR IFRESIS, LINA (France); Boudard, Delphine [Université Jean Monnet Saint-Etienne, EA 4624, SFR IFRESIS, LINA (France); Forest, Valérie [Ecole Nationale Supérieure des Mines, CIS-EMSE, EA 4624, SFR IFRESIS, LINA (France); Berhanu, Sarah [Armines - Mines ParisTech, Centre des Matériaux, CNRS UMR 7633 (France); Tulliani, Jean-Marc [Politecnico di Torino, Department of Applied Science and Technology (Italy); Lecompte, Jean-Pierre [Centre Européen de la céramique CNRS: UMR 7315, SPCTS (France); Cottier, Michèle [Université Jean Monnet Saint-Etienne, EA 4624, SFR IFRESIS, LINA (France); Bernache-Assollant, Didier [Ecole Nationale Supérieure des Mines, CIS-EMSE, EA 4624, SFR IFRESIS, LINA (France); Grosseau, Philippe [Ecole Nationale Supérieure des Mines, SPIN-EMSE, CNRS: UMR 5307, LGF (France)

    2015-04-15

    The biological response to pristine and annealed multi-walled carbon nanotubes (MWCNT) was assessed on murine macrophages (RAW 264.7). First, the physicochemical features of the as-produced MWCNT and annealed at 2125 °C for 1 h were fully characterized. A decrease in structural defects, hydrophobicity and catalytic impurities was detected after annealing. Thereafter, their impact on cytotoxicity, oxidative stress, and pro-inflammatory response was investigated at concentrations ranging from 15 to 120 µg mL{sup −1}. No effect of the 2125 °C treatment was detected on the cytotoxicity. In contrast, the annealed carbon nanotubes showed a significant increase of the pro-inflammatory response. We assumed that this behavior was due to the reduction in structural defects that may modify the layer of adsorbed biomolecules. Surprisingly, the purification of metallic catalysts did not have any significant impact on the oxidative stress. We suggested that the structural improvements from the 2125 °C treatment can decrease the carbon nanotube scavenging capacity and thus allow a higher free radical release which may counterbalance the decrease of oxidative stress due to a lower content of metallic impurities.

  1. Assessment of structures and stabilities of defect clusters and surface energies predicted by nine interatomic potentials for UO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Taller, Stephen A. [School of Nuclear Engineering, Purdue University, West Lafayette, IN 47907 (United States); Bai, Xian-Ming, E-mail: xianming.bai@inl.gov [Fuels Modeling and Simulation Department, Idaho National Laboratory, Idaho Falls, ID 83415 (United States)

    2013-11-15

    The irradiation in nuclear reactors creates many point defects and defect clusters in uranium dioxide (UO{sub 2}) and their evolution severely degrades the thermal and mechanical properties of the nuclear fuels. Previously many empirical interatomic potentials have been developed for modeling defect production and evolution in UO{sub 2}. However, the properties of defect clusters and extended defects are usually not fitted into these potentials. In this work nine interatomic potentials for UO{sub 2} are examined by using molecular statics and molecular dynamics to assess their applicability in predicting the properties of various types of defect clusters in UO{sub 2}. The binding energies and structures for these defect clusters have been evaluated for each potential. In addition, the surface energies of voids of different radii and (1 1 0) flat surfaces predicted by these potentials are also evaluated. It is found that both good agreement and significant discrepancies exist for these potentials in predicting these properties. For oxygen interstitial clusters, these potentials predict significantly different defect cluster structures and stabilities; For defect clusters consisting of both uranium and oxygen defects, the prediction is in better agreement; The surface energies predicted by these potentials have significant discrepancies, and some of them are much higher than the experimentally measured values. The results from this work can provide insight on interpreting the outcome of atomistic modeling of defect production using these potentials and may provide guidelines for choosing appropriate potential models to study problems of interest in UO{sub 2}.

  2. 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

  3. New structural and functional defects in polyphosphate deficient bacteria: A cellular and proteomic study

    Directory of Open Access Journals (Sweden)

    Chávez Francisco P

    2010-01-01

    Full Text Available Abstract Background Inorganic polyphosphate (polyP, a polymer of tens or hundreds of phosphate residues linked by ATP-like bonds, is found in all organisms and performs a wide variety of functions. PolyP is synthesized in bacterial cells by the actions of polyphosphate kinases (PPK1 and PPK2 and degraded by exopolyphosphatase (PPX. Bacterial cells with polyP deficiencies due to knocking out the ppk1 gene are affected in many structural and important cellular functions such as motility, quorum sensing, biofilm formation and virulence among others. The cause of this pleiotropy is not entirely understood. Results The overexpression of exopolyphosphatase in bacteria mimicked some pleitropic defects found in ppk1 mutants. By using this approach we found new structural and functional defects in the polyP-accumulating bacteria Pseudomonas sp. B4, which are most likely due to differences in the polyP-removal strategy. Colony morphology phenotype, lipopolysaccharide (LPS structure changes and cellular division malfunction were observed. Finally, we used comparative proteomics in order to elucidate the cellular adjustments that occurred during polyP deficiency in this bacterium and found some clues that helped to understand the structural and functional defects observed. Conclusions The results obtained suggest that during polyP deficiency energy metabolism and particularly nucleoside triphosphate (NTP formation were affected and that bacterial cells overcame this problem by increasing the flux of energy-generating metabolic pathways such as tricarboxilic acid (TCA cycle, β-oxidation and oxidative phosphorylation and by reducing energy-consuming ones such as active transporters and amino acid biosynthesis. Furthermore, our results suggest that a general stress response also took place in the cell during polyP deficiency.

  4. On correction of model of stabilization of distribution of concentration of radiation defects in a multilayer structure with account experiment data

    Science.gov (United States)

    Pankratov, E. L.

    2018-05-01

    We introduce a model of redistribution of point radiation defects, their interaction between themselves and redistribution of their simplest complexes (divacancies and diinterstitials) in a multilayer structure. The model gives a possibility to describe qualitatively nonmonotonicity of distributions of concentrations of radiation defects on interfaces between layers of the multilayer structure. The nonmonotonicity was recently found experimentally. To take into account the nonmonotonicity we modify recently used in literature model for analysis of distribution of concentration of radiation defects. To analyze the model we used an approach of solution of boundary problems, which could be used without crosslinking of solutions on interfaces between layers of the considered multilayer structures.

  5. New radiative transfer models for obscuring tori in active galaxies

    NARCIS (Netherlands)

    van Bemmel, IM; Dullemond, CP

    Two-dimensional radiative transfer is employed to obtain the broad-band infrared spectrum of active galaxies. In the models we vary the geometry and size of the obscuring medium, the surface density, the opacity and the grain size distribution. Resulting spectral energy distributions are constructed

  6. The effects of host obscuration on searches for tidal disruption events

    Science.gov (United States)

    Roth, Nathaniel; Mushotzky, Richard; Gezari, Suvi; van Velzen, Sjoert

    2018-01-01

    Tidal disruptions of stars by super-massive black holes (TDEs) offer opportunities to learn about black hole demographics and stellar dynamics. However, matching the observed TDE rate to that predicted by theory has remained a challenge, as most surveys to-date have found fewer flares than expected. Some of this discrepancy may relate to nuclear obscuration in host galaxies. This includes the effects of dust at optical and ultraviolet wavelengths, and the effects of neutral gas at x-ray wavelengths. I will discuss procedures to correct the observed TDE rate within existing and upcoming surveys to the intrinsic per-galaxy rate by accounting for host obscuration. I will also discuss how reddening might affect TDE selection criteria, and I will make predictions for the population of infrared TDE light echoes.

  7. Computer simulation of defect cluster

    Energy Technology Data Exchange (ETDEWEB)

    Kuramoto, Eiichi [Kyushu Univ., Kasuga, Fukuoka (Japan). Research Inst. for Applied Mechanics

    1996-04-01

    In order to elucidate individual element process of various defects and defect clusters of used materials under irradiation environments, interatomic potential with reliability was investigated. And for comparison with experimental results, it is often required to adopt the temperature effect and to investigate in details mechanism of one dimensional motion of micro conversion loop and so forth using the molecular dynamic (MD) method. Furthermore, temperature effect is also supposed for stable structure of defects and defect clusters, and many problems relating to alloy element are also remained. And, simulation on photon life at the defects and defect clusters thought to be important under comparison with equipment can also be supposed an improvement of effectiveness due to relation to theses products. In this paper, some topics in such flow was extracted to explain them. In particular, future important problems will be potential preparation of alloy, structure, dynamic behavior and limited temperature of intralattice atomic cluster. (G.K.)

  8. Structural defects in laser- and electron-beam annealed silicon

    International Nuclear Information System (INIS)

    Narayan, J.

    1979-01-01

    Laser and electron beam pulses provide almost an ideal source of heat by which thin layers of semiconductors can be rapidly melted and solidified with heating and cooling rates exceeding 10 80 C/sec. Microstructural modifications obtained as a function of laser parameters are examined and it is shown that both laser and electron beam pulses can be used to remove displacement damage, dislocations, dislocation loops and precipitates. Annealing of defects underneath the oxide layers in silicon is possible within a narrow energy window. The formation of cellular structure provides a rather clear evidence of melting which leads to segregation and supercooling, and subsequent cell formation

  9. Structure and strain relaxation effects of defects in InxGa1−xN epilayers

    International Nuclear Information System (INIS)

    Rhode, S. L.; Fu, W. Y.; Massabuau, F. C.-P.; Kappers, M. J.; McAleese, C.; Oehler, F.; Humphreys, C. J.; Sahonta, S.-L.; Moram, M. A.; Dusane, R. O.

    2014-01-01

    The formation of trench defects is observed in 160 nm-thick In x Ga 1−x N epilayers with x ≤ 0.20, grown on GaN on (0001) sapphire substrates using metalorganic vapour phase epitaxy. The trench defect density increases with increasing indium content, and high resolution transmission electron microscopy shows an identical structure to those observed previously in InGaN quantum wells, comprising meandering stacking mismatch boundaries connected to an I 1 -type basal plane stacking fault. These defects do not appear to relieve in-plane compressive strain. Other horizontal sub-interface defects are also observed within the GaN pseudosubstrate layer of these samples and are found to be pre-existing threading dislocations which form half-loops by bending into the basal plane, and not basal plane stacking faults, as previously reported by other groups. The origins of these defects are discussed and are likely to originate from a combination of the small in-plane misorientation of the sapphire substrate and the thermal mismatch strain between the GaN and InGaN layers grown at different temperatures.

  10. Structural defects in multiferroic BiMnO3 studied by transmission electron microscopy and electron energy-loss spectroscopy

    International Nuclear Information System (INIS)

    Yang, H.; Chi, Z. H.; Yao, L. D.; Zhang, W.; Li, F. Y.; Jin, C. Q.; Yu, R. C.

    2006-01-01

    The multiferroic material BiMnO 3 synthesized under high pressure has been systematically studied by transmission electron microscopy and electron energy-loss spectroscopy, and some important structural defects are revealed in this multiferroic material. The frequently observed defects are characterized to be Σ3(111) twin boundaries, Ruddlesden-Popper [Acta Crystallogr. 11, 54 (1958)] antiphase boundaries, and a p p superdislocations connected with a small segment of Ruddlesden-Popper defect. These defects are present initially in the as-synthesized sample. In addition, we find that ordered voids (oxygen vacancies) are easily introduced into the multiferroic BiMnO 3 by electron-beam irradiation

  11. Influence of crystal orientation on the formation of femtosecond laser-induced periodic surface structures and lattice defects accumulation

    Energy Technology Data Exchange (ETDEWEB)

    Sedao, Xxx; Garrelie, Florence, E-mail: florence.garrelie@univ-st-etienne.fr; Colombier, Jean-Philippe; Reynaud, Stéphanie; Pigeon, Florent [Université de Lyon, CNRS, UMR5516, Laboratoire Hubert Curien, Université de Saint Etienne, Jean Monnet, F-42023 Saint-Etienne (France); Maurice, Claire; Quey, Romain [Ecole Nationale Supérieure des Mines de Saint-Etienne, CNRS, UMR5307, Laboratoire Georges Friedel, F-42023 Saint-Etienne (France)

    2014-04-28

    The influence of crystal orientation on the formation of femtosecond laser-induced periodic surface structures (LIPSS) has been investigated on a polycrystalline nickel sample. Electron Backscatter Diffraction characterization has been exploited to provide structural information within the laser spot on irradiated samples to determine the dependence of LIPSS formation and lattice defects (stacking faults, twins, dislocations) upon the crystal orientation. Significant differences are observed at low-to-medium number of laser pulses, outstandingly for (111)-oriented surface which favors lattice defects formation rather than LIPSS formation.

  12. Defect dependence of the irreversibility line in Bi2Sr2CaCu2O8 single crystals

    Science.gov (United States)

    Lombardo, L. W.; Mitzi, D. B.; Kapitulnik, A.; Leone, A.

    1992-09-01

    The c-axis irreversibility line (IL) of pristine single-crystal Bi2Sr2CaCu2O8 is shown to exhibit three regimes: For fields less than 0.1 T, it obeys a power law, Hirr=H0(1-Tirr/Tc)μ, where μ and H0 vary with Tc. For fields greater than 2 T, the IL becomes linear with a slope of 0.7 T/K. For intermediate fields, there is a crossover region, which corresponds to the onset of collective vortex behavior. Defects produced by proton irradiation shift the IL in all three regimes: The high-field regime moves to higher temperatures, the low-field regime moves to lower temperatures, and the crossover to collective behavior becomes obscured. A maximal increase in the irreversibility temperature in the high-field regime is found to occur at a defect density of nearly one defect per vortex core disk.

  13. Using Bayesian Models to Assess the Effects of Under-reporting of Cannabis Use on the Association with Birth Defects, National Birth Defects Prevention Study, 1997–2005

    Science.gov (United States)

    van Gelder, Marleen M. H. J.; Rogier, A.; Donders, T.; Devine, Owen; Roeleveld, Nel; Reefhuis, Jennita

    2015-01-01

    Background Studies on associations between periconceptional cannabis exposure and birth defects have mainly relied on self-reported exposure. Therefore, the results may be biased due to underreporting of the exposure. The aim of this study was to quantify the potential effects of this form of exposure misclassification. Methods Using multivariable logistic regression, we re-analyzed associations between periconceptional cannabis use and 20 specific birth defects using data from the National Birth Defects Prevention Study from 1997–2005 for 13 859 case infants and 6556 control infants. For seven birth defects, we implemented four Bayesian models based on various assumptions concerning the sensitivity of self-reported cannabis use to estimate odds ratios (ORs), adjusted for confounding and underreporting of the exposure. We used information on sensitivity of self-reported cannabis use from the literature for prior assumptions. Results The results unadjusted for underreporting of the exposure showed an association between cannabis use and anencephaly (posterior OR 1.9 [95% credible interval (CRI) 1.1, 3.2]) which persisted after adjustment for potential exposure misclassification. Initially, no statistically significant associations were observed between cannabis use and the other birth defect categories studied. Although adjustment for underreporting did not notably change these effect estimates, cannabis use was associated with esophageal atresia (posterior OR 1.7 [95% CRI 1.0, 2.9]), diaphragmatic hernia (posterior OR 1.8 [95% CRI 1.1, 3.0]) and gastroschisis (posterior OR 1.7 [95% CRI 1.2, 2.3]) after correction for exposure misclassification. Conclusions Underreporting of the exposure may have obscured some cannabis-birth defect associations in previous studies. However, the resulting bias is likely to be limited. PMID:25155701

  14. The angular clustering of WISE-selected active galactic nuclei: Different halos for obscured and unobscured active galactic nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Donoso, E. [Instituto de Ciencias Astronómicas, de la Tierra, y del Espacio (ICATE), 5400 San Juan (Argentina); Yan, Lin [Infrared Processing and Analysis Center, Department of Astronomy, California Institute of Technology, Pasadena, CA 91125 (United States); Stern, D.; Assef, R. J. [Jet Propulsion Laboratory, California Institute of Technology, Pasadena, CA 91109 (United States)

    2014-07-01

    We calculate the angular correlation function for a sample of ∼170,000 active galactic nuclei (AGNs) extracted from the Wide-field Infrared Survey Explorer (WISE) catalog, selected to have red mid-IR colors (W1 – W2 > 0.8) and 4.6 μm flux densities brighter than 0.14 mJy). The sample is expected to be >90% reliable at identifying AGNs and to have a mean redshift of (z) = 1.1. In total, the angular clustering of WISE AGNs is roughly similar to that of optical AGNs. We cross-match these objects with the photometric Sloan Digital Sky Survey catalog and distinguish obscured sources with r – W2 > 6 from bluer, unobscured AGNs. Obscured sources present a higher clustering signal than unobscured sources. Since the host galaxy morphologies of obscured AGNs are not typical red sequence elliptical galaxies and show disks in many cases, it is unlikely that the increased clustering strength of the obscured population is driven by a host galaxy segregation bias. By using relatively complete redshift distributions from the COSMOS survey, we find that obscured sources at (z) ∼ 0.9 have a bias of b = 2.9 ± 0.6 and are hosted in dark matter halos with a typical mass of log (M/M {sub ☉} h {sup –1}) ∼ 13.5. In contrast, unobscured AGNs at (z) ∼ 1.1 have a bias of b = 1.6 ± 0.6 and inhabit halos of log (M/M {sub ☉} h {sup –1}) ∼ 12.4. These findings suggest that obscured AGNs inhabit denser environments than unobscured AGNs, and they are difficult to reconcile with the simplest AGN unification models, where obscuration is driven solely by orientation.

  15. Radiation defect production in quartz crystals with various structure perfectness degree; Radiatsionnoe defektoobrazovanie v kristallakh kvartsa s razlichnoj stepen`yu sovershenstva struktury

    Energy Technology Data Exchange (ETDEWEB)

    Khushvakov, O B

    1992-01-01

    Radiation defects production processes in pure and doped quartz crystals with various structure defectness, caused by preliminary irradiation with neutrons, protons, deuterons and {alpha}-particles, during various electron excitation densities were investigated. The distribution of colour centres along the thickness of irradiated quartz crystals was measured. It was supposed that colour centres are produced on account of inelastic energy losses as the result of collective decay of two or more interacting excitons. It was shown that in quartz crystals under the actions of protons with overthreshold energy 18 MeV and electrons with subthreshold energy 100 keV the same structure defects are formed. It was established that radiation defect production process has two stages. The first stage reveals radiation defects produced by preliminary irradiation. The second one reveals additional intrinsic defects formed under the action of gamma-rays and electrons. The probability dependence of defect production on neutron fluence and masses of incident particles was studied. It was supposed that the creation of additional defects in preliminary irradiated crystals is due to non-radiative decay of electron excitations near radiation-induced defects. It was shown that increase of impurity concentration leads to rate growth of accumulation of radiation induced defects. (A.A.D.) 15 refs. 4 figs.

  16. Jude the Obscure de Thomas Hardy et l’autorité de la lettre Jude the Obscure by Thomas Hardy and the Power of the Letter

    Directory of Open Access Journals (Sweden)

    Stéphanie Bernard

    2009-10-01

    Full Text Available Thomas Hardy is usually considered a Victorian writer. Nonetheless, his last novel Jude the Obscure, announced the era of modernity which started with the twentieth century, just before he abandoned fiction to concentrate on poetry. With modernity looming in the background, Jude the Obscure allowed for the rewriting of tragedy. Urban settings have replaced the countryside and all signs of transcendence have vanished from society. This defeat of the divine is nevertheless accompanied by a great number of biblical references. Thomas Hardy quotes and uses the Divine Letter as if to rewrite it rather than to appear faithful to the Word. The text keeps offering itself to the spell of voice: it does so when Job utters words of revolt and then worship, when Jude lets his imagination flow from his lips so that he seems to live on in the text after he is dead, or when the voice of the novelist becomes the voice of a poet.

  17. Design and Analysis of a Triple Stop-band Filter Using Ratioed Periodical Defected Microstrip Structure

    Science.gov (United States)

    Jiang, Tao; Wang, Yanyan; Li, Yingsong

    2017-07-01

    In this paper, a triple stop-band filter with a ratioed periodical defected microstrip structure is proposed for wireless communication applications. The proposed ratioed periodical defected microstrip structures are spiral slots, which are embedded into a 50 Ω microstrip line to obtain multiple stop-bands. The performance of the proposed triple stop-band filter is investigated numerically and experimentally. Moreover, the equivalent circuit model of the proposed filter is also established and discussed. The results are given to verify that the proposed triple stop-band filter has three stop bands at 3.3 GHz, 5.2 GHz, 6.8 GHz to reject the unwanted signals, which is promising for integrating into UWB communication systems to efficiently prevent the potential interferences from unexpected narrowband signals such as WiMAX, WLAN and RFID communication systems.

  18. Fine defective structure of silicon carbide powders obtained from different starting materials

    Directory of Open Access Journals (Sweden)

    Tomila T.V.

    2006-01-01

    Full Text Available The fine defective structure of silicon carbide powders obtained from silicic acid-saccharose, aerosil-saccharose, aerosil-carbon black, and hydrated cellulose-silicic acid gel systems was investigated. The relation between IR absorption characteristics and the microstructure of SiC particles obtained from different starting materials was established. The numerical relationship between the lattice parameter a and the frequency νTO is presented.

  19. Impurity Role In Mechanically Induced Defects

    International Nuclear Information System (INIS)

    Howell, R.H.; Asoka-Kumar, P.; Hartley, J.; Sterne, P.

    2000-01-01

    An improved understanding of dislocation dynamics and interactions is an outstanding problem in the multi scale modeling of materials properties, and is the current focus of major theoretical efforts world wide. We have developed experimental and theoretical tools that will enable us to measure and calculate quantities defined by the defect structure. Unique to the measurements is a new spectroscopy that determines the detailed elemental composition at the defect site. The measurements are based on positron annihilation spectroscopy performed with a 3 MeV positron beam [1]. Positron annihilation spectroscopy is highly sensitive to dislocations and associated defects and can provide unique elements of the defect size and structure. Performing this spectroscopy with a highly penetrating positron beam enables flexibility in sample handling. Experiments on fatigued and stressed samples have been done and in situ measurement capabilities have been developed. We have recently performed significant upgrades to the accelerator operation and novel new experiments have been performed [2-4] To relate the spectrographic results and the detailed structure of a defect requires detailed calculations. Measurements are coupled with calculated results based on a description of positions of atoms at the defect. This gives an atomistic view of dislocations and associated defects including impurity interactions. Our ability to probe impurity interactions is a unique contribution to defect understanding not easily addressed by other atomistic spectroscopies

  20. Characterizing the relationship between hyperstoichiometry, defect structure and local corrosion kinetics of uranium dioxide

    International Nuclear Information System (INIS)

    He Heming; Qin, Z.; Shoesmith, D.W.

    2010-01-01

    The ability of the UO 2 fluorite structure to accommodate large amounts of interstitial oxygen in various lattice sites leads to the formation of hyper-stoichiometric phases. The defect structures occurring in hyper-stoichiometric UO 2+x over the range 0.02 ≤ x ≤ 0.1 have been characterized by SEM/EDX and Raman analyses. The results demonstrate that as the nominal stoichiometry increases from 2.002 to 2.1, the diversity of defective structures existing on the UO 2+ surface also increases. Scanning electrochemical microscopy (SECM) measurements combined with a theoretical model were used to determine the rate constant for the reduction of the redox mediator ferrocene methanol, acting as a cathodic oxidant to corrode the four UO 2+x specimens. The rate constant was found to vary with location on the surface. Stoichiometric locations, with a well defined fluorite structure, exhibited very low corrosion rates. Higher rates were observed at more non-stoichiometric locations with the highest rates being obtained on locations exhibiting tetragonal distortions as their composition approached UO 2.33 . The distribution of rates increases with the degree of nominal non-stoichiometry as the diversity of microstructures existing on the UO 2+x surface increases.

  1. AGN Obscuration Through Dusty Infrared Dominated Flows. II. Multidimensional, Radiation-Hydrodynamics Modeling

    Science.gov (United States)

    Dorodnitsyn, Anton; Kallman, Tim; Bisno\\vatyiI-Kogan, Gennadyi

    2011-01-01

    We explore a detailed model in which the active galactic nucleus (AGN) obscuration results from the extinction of AGN radiation in a global ow driven by the pressure of infrared radiation on dust grains. We assume that external illumination by UV and soft X-rays of the dusty gas located at approximately 1pc away from the supermassive black hole is followed by a conversion of such radiation into IR. Using 2.5D, time-dependent radiation hydrodynamics simulations in a ux-limited di usion approximation we nd that the external illumination can support a geometrically thick obscuration via out ows driven by infrared radiation pressure in AGN with luminosities greater than 0:05 L(sub edd) and Compton optical depth, Tau(sub T) approx > & 1.

  2. Structure and stability of defective silicene on Ag(001) and Ag(111) substrates: A computer experiment

    Science.gov (United States)

    Galashev, A. E.; Ivanichkina, K. A.; Vorob'ev, A. S.; Rakhmanova, O. R.

    2017-06-01

    The structure and stability of a two-layer defective silicene on Ag(001) and Ag(111) substrates have been investigated using the molecular dynamics method. The transformation of the radial distribution function of silicene due to the formation of monovacancies, divacancies, trivacancies, and hexavacancies is reduced primarily to a decrease in the intensity of the peaks and the disappearance of the "shoulder" in the second peak. With the passage of time, multivacancies can undergo coalescence with each other and the fragmentation into smaller vacancies, as well as form vacancy clusters. According to the geometric criterion, the Ag(001) substrate provides a higher stability of a perfect two-layer silicene. It has been found, however, that the defective silicene on this substrate has a lower energy only when it contains monovacancies and divacancies. A change in the size of defects leads to a change in the energy priority when choosing between the Ag(001) and Ag(111) substrates. The motion of a lithium ion inside an extended channel between two silicene sheets results in a further disordering of the defective structure of the silicene, during which the strongest stresses in the silicene are generated by forces directed perpendicular to the external electric field. These forces dominate in the silicene channel, the wall of which is supported by the Ag(001) or Ag(111) substrate.

  3. Defect Structure of High-Temperature-Grown GaMnSb/GaSb

    International Nuclear Information System (INIS)

    Romanowski, P.; Bak-Misiuk, J.; Dynowska, E.; Domagala, J.Z.; Wojciechowski, T.; Jakiela, R.; Sadowski, J.; Barcz, A.; Caliebe, W.

    2010-01-01

    GaMnSb/GaSb(100) layers with embedded MnSb inclusions have been grown at 720 K using MBE technique. This paper presents the investigation of the defect structure of Ga1-xMnxSb layers with different content of manganese (up to x = 0.07). X-ray diffraction method using conventional and synchrotron radiation was applied. Dimensions and shapes of inclusions were detected by scanning electron microscopy. Depth profiles of elements were measured using secondary ion mass spectroscopy technique. (authors)

  4. Antisite Defects of the L12 Structure Determined by the Phase Field Microelasticity Model

    International Nuclear Information System (INIS)

    Jing, Zhang; Zheng, Chen; Yan-Li, Lu; Yong-Xin, Wang; Yan, Zhao

    2009-01-01

    A phase field microelasticity simulation is performed to examine the antisite defect of L1 2 -Ni 3 Al in Ni 75 Al 5.3 V 19.7 ternary alloy. Combinimg strain energy with the phase field model leads to an atom configuration change as time proceeds. For the Ni sublattice, the antisite defect Al Ni , the equilibrium occupancy probability (OP) of which declines, precedes Ni Ni and V Ni in reaching equilibrium; subsequently, Ni Ni and V Ni present a phenomenon of symmetrical rise and decline individually. Similarly, for the Al sublattice, the antisite defect Ni Al , the OP of which eventually rises, takes fewer time steps than Al Ai and V Al to attain equilibrium. Thereafter, Al Al rises while V Al declines symmetrically at the axes of the Ni Al MAI curve. Furthermore, the OP for the Al sublattice is much more sensitive to strain energy than that for the Ni sublattice. (condensed matter: structure, mechanical and thermal properties)

  5. Using bayesian models to assess the effects of under-reporting of cannabis use on the association with birth defects, national birth defects prevention study, 1997-2005.

    Science.gov (United States)

    van Gelder, Marleen M H J; Donders, A Rogier T; Devine, Owen; Roeleveld, Nel; Reefhuis, Jennita

    2014-09-01

    Studies on associations between periconceptional cannabis exposure and birth defects have mainly relied on self-reported exposure. Therefore, the results may be biased due to under-reporting of the exposure. The aim of this study was to quantify the potential effects of this form of exposure misclassification. Using multivariable logistic regression, we re-analysed associations between periconceptional cannabis use and 20 specific birth defects using data from the National Birth Defects Prevention Study from 1997-2005 for 13 859 case infants and 6556 control infants. For seven birth defects, we implemented four Bayesian models based on various assumptions concerning the sensitivity of self-reported cannabis use to estimate odds ratios (ORs), adjusted for confounding and under-reporting of the exposure. We used information on sensitivity of self-reported cannabis use from the literature for prior assumptions. The results unadjusted for under-reporting of the exposure showed an association between cannabis use and anencephaly (posterior OR 1.9 [95% credible interval (CRI) 1.1, 3.2]) which persisted after adjustment for potential exposure misclassification. Initially, no statistically significant associations were observed between cannabis use and the other birth defect categories studied. Although adjustment for under-reporting did not notably change these effect estimates, cannabis use was associated with esophageal atresia (posterior OR 1.7 [95% CRI 1.0, 2.9]), diaphragmatic hernia (posterior OR 1.8 [95% CRI 1.1, 3.0]), and gastroschisis (posterior OR 1.7 [95% CRI 1.2, 2.3]) after correction for exposure misclassification. Under-reporting of the exposure may have obscured some cannabis-birth defect associations in previous studies. However, the resulting bias is likely to be limited. © 2014 John Wiley & Sons Ltd.

  6. Application of wavelet analysis in optical coherence tomography for obscured pattern recognition

    Science.gov (United States)

    Buranachai, C.; Thavarungkul, P.; Kanatharanaa, P.; Meglinski, I. V.

    2009-12-01

    Nowadays the optical coherent tomography (OCT) is one of the most perspective optical diagnostic modalities widely used for non-invasive imaging of the internal structure of various complex turbid media from a range of composite materials to biological tissues. OCT has been attracting a great amount of attention due to its effective capability rejecting multiple scattering. However, for highly scattered composite structures the multiple scattering still remains a factor limiting OCT to the quasi-ballistic regime. In order to enhance the OCT imaging capabilities and reduce the statistical noise associated with the multiple scattering the wavelet analysis has been applied. The wavelet analysis has been used to decompose the OCT images of printed stripes covered by a highly scattered and not transparent layer of white correction tape. The obtained results demonstrate a significant reduction of speckle noise background and enhancement of OCT images of the obscured patterns. This likely to be enabled extending the applicability of the combined OCT-wavelet decomposition analysis to investigate sensitive documents, historical artworks and valuable security papers.

  7. Application of wavelet analysis in optical coherence tomography for obscured pattern recognition

    International Nuclear Information System (INIS)

    Buranachai, C; Thavarungkul, P; Kanatharanaa, P; Meglinski, I V

    2009-01-01

    Nowadays the optical coherent tomography (OCT) is one of the most perspective optical diagnostic modalities widely used for non-invasive imaging of the internal structure of various complex turbid media from a range of composite materials to biological tissues. OCT has been attracting a great amount of attention due to its effective capability rejecting multiple scattering. However, for highly scattered composite structures the multiple scattering still remains a factor limiting OCT to the quasi-ballistic regime. In order to enhance the OCT imaging capabilities and reduce the statistical noise associated with the multiple scattering the wavelet analysis has been applied. The wavelet analysis has been used to decompose the OCT images of printed stripes covered by a highly scattered and not transparent layer of white correction tape. The obtained results demonstrate a significant reduction of speckle noise background and enhancement of OCT images of the obscured patterns. This likely to be enabled extending the applicability of the combined OCT-wavelet decomposition analysis to investigate sensitive documents, historical artworks and valuable security papers

  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. 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.

  10. Structure and defect studies of In2O3:Zn,Zr for higher stability TCO

    Science.gov (United States)

    Herwadkar, Aditi; Kim, Kwiseon

    2010-03-01

    The defects structures among the transparent conducting oxides (TCO) plays a major role in determining stability of the oxide over a temperature range and in tuning electrical and optical properties for the different TCO applications In2O3 crystallizes in the cubic bixbyite structure. The structure can be derived from the related fluorite structure by removing one fourth of the anions and allowing for small shifts of the ionic positions. In2O3 has two non-equivalent six-fold coordinated cation sites. For one of the sites, the cation is bounded by two structural vacancy along the body diagonal and for the other non-equivalent site the vacancies lie along the face diagonal. These vacancies are actually empty oxygen vacancy positions. Indium is in +3 charge state. ZnO on the other hand crystallizes to form wurtzite structure with four-fold coordination for Zn and is in +2 charge state where as the crystal structure of ZrO is rulite with Zr in +4 charge state and is four fold coordinated. Co-doping of Zn and Zr with each substituting the In atom satisfies the octet rule and is lower in energy then the individual substitutions with overall neutrality. The formation enthalpy as a function of pair (Zn, Zr) shows a minimum at experimental composition of In2(Zn,Zr)3O24. We in this work present the electronic structure optimization and study the defect states in this material.

  11. Obscure bleeding colonic duplication responds to proton pump inhibitor therapy.

    Science.gov (United States)

    Jacques, Jérémie; Projetti, Fabrice; Legros, Romain; Valgueblasse, Virginie; Sarabi, Matthieu; Carrier, Paul; Fredon, Fabien; Bouvier, Stéphane; Loustaud-Ratti, Véronique; Sautereau, Denis

    2013-09-21

    We report the case of a 17-year-old male admitted to our academic hospital with massive rectal bleeding. Since childhood he had reported recurrent gastrointestinal bleeding and had two exploratory laparotomies 5 and 2 years previously. An emergency abdominal computed tomography scan, gastroscopy and colonoscopy, performed after hemodynamic stabilization, were considered normal. High-dose intravenous proton pump inhibitor (PPI) therapy was initiated and bleeding stopped spontaneously. Two other massive rectal bleeds occurred 8 h after each cessation of PPI which led to a hemostatic laparotomy after negative gastroscopy and small bowel capsule endoscopy. This showed long tubular duplication of the right colon, with fresh blood in the duplicated colon. Obscure lower gastrointestinal bleeding is a difficult medical situation and potentially life-threatening. The presence of ulcerated ectopic gastric mucosa in the colonic duplication explains the partial efficacy of PPI therapy. Obscure gastrointestinal bleeding responding to empiric anti-acid therapy should probably evoke the diagnosis of bleeding ectopic gastric mucosa such as Meckel's diverticulum or gastrointestinal duplication, and gastroenterologists should be aware of this potential medical situation.

  12. Repairing rabbit radial defects by combining bone marrow stroma stem cells with bone scaffold material comprising a core-cladding structure.

    Science.gov (United States)

    Wu, H; Liu, G H; Wu, Q; Yu, B

    2015-10-05

    We prepared a bone scaffold material comprising a PLGA/β-TCP core and a Type I collagen cladding, and recombined it with bone marrow stroma stem cells (BMSCs) to evaluate its potential for use in bone tissue engineering by in vivo and in vitro experiments. PLGA/β-TCP without a cladding was used for comparison. The adherence rate of the BMSCs to the scaffold was determined by cell counting. Cell proliferation rate was determined by the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide method. The osteogenic capability was evaluated by alkaline phosphatase activity. The scaffold materials were recombined with the BMSCs and implanted into a large segmental rabbit radial defect model to evaluate defect repair. Osteogenesis was assessed in the scaffold materials by histological and double immunofluorescence labeling, etc. The adherence number, proliferation number, and alkaline phosphatase expression of the cells on the bone scaffold material with core-cladding structure were significantly higher than the corresponding values in the PLGA/β-TCP composite scaffold material (P structure completely degraded at the bone defect site and bone formation was completed. The rabbit large sentimental radial defect was successfully repaired. The degradation and osteogenesis rates matched well. The bone scaffold with core-cladding structure exhibited better osteogenic activity and capacity to repair a large segmental bone defect compared to the PLGA/β-TCP composite scaffold. The bone scaffold with core-cladding structure has excellent physical properties and biocompatibility. It is an ideal scaffold material for bone tissue engineering.

  13. Diffuse scattering and defect structure simulations a cook book using the program DISCUS

    CERN Document Server

    Neder, Reinhard B

    2009-01-01

    In recent years it has become apparent that knowing the average atomic structure of materials is insufficient to understand their properties. Diffuse scattering in addition to the Bragg scattering holds the key to learning about defects in materials, the topic of many recent books. What has been missing is a detailed step-by-step guide how to simulate disordered materials. The DISCUS cook book fills this need covering simple topics such as building a computer crystal to complextopic such as domain structures, stacking faults or using advanced refinement techniques to adjust parameters on a dis

  14. Obscure gastrointestinal bleeding: difficulties in comparing CT enterography and video capsule endoscopy

    International Nuclear Information System (INIS)

    Soyer, Philippe

    2012-01-01

    A paper reports the results of a retrospective study that was designed to evaluate the potential role of video capsule endoscopy (VCE) in elucidating the cause of bleeding in patients with obscure gastrointestinal bleeding (OGIB) for whom CT enterography was negative. The authors highlight the limitations of dual-phase CT enterography for the detection of flat lesions of the small bowel such as ulcers, angiodysplasias or arteriovenous malformations, and confirm the superiority of VCE for the detection of this category of lesions. This commentary discusses some of the issues raised. Key Points circle Video capsule endoscopy surpasses CT enterography in detecting flat small bowel lesions. circle Retrospective VCE and CT enterography findings in obscure bleeding need further evaluation. circle A fair and unbiased comparison of the two investigations is still needed. (orig.)

  15. Study of the defect structure of ''pure'' and doped nonstoichiometric CeO2. Final report, January 1, 1965--May 31, 1977

    International Nuclear Information System (INIS)

    Blumenthal, R.N.

    1977-11-01

    The defect structure and transport properties of defects in nonstoichiometric oxides was studied based on their electrical and thermodynamic behavior. Similar studies were also made on doped-nonstoichiometric oxides to determine the effect of the ionic radii, valence and concentration of the dopant cation on the nonstoichiometric defect structure and the transport properties of these defects. The thermodynamic and electrical property study on ''pure'' and doped-nonstoichiometric CeO 2 /sub -x/ is reviewed. The combined study of the electrical conductivity, ionic transference, and thermodynamic measurements initiated on CaO-doped CeO 2 as a function of temperature, oxygen pressure and CaO content is discussed. The results of similar measurements on CeO 2 doped with other oxides (e.g., ThO 2 , Ta 2 O 5 , etc.) which have cations with different valences and ionic radii are also discussed. The primary objective of these studies was to determine the effect of ionic radii, valence and concentration of the dopant cation on (1) the nonstoichiometric behavior, (2) the thermodynamic quantities ΔantiH/sub O 2 / and ΔantiS/sub O 2 /, (3) the nonstoichiometric defect structure, (4) the electronic and ionic conductivities, and (5) the mobility of electrons and oxygen vacancies in doped CeO 2 /sub -x/

  16. Deep Defect Detection within Thick Multilayer Aircraft Structures Containing Steel Fasteners Using a Giant-Magneto Resistive (GMR) Sensor (Preprint)

    National Research Council Canada - National Science Library

    Ko, Ray T; Steffes, Gary J

    2007-01-01

    Defect detection within thick multilayer structures containing steel fasteners is a challenging task in eddy current testing due to the magnetic permeability of the fasteners and overall thickness of the structure...

  17. Metastable and bistable defects in silicon

    International Nuclear Information System (INIS)

    Mukashev, Bulat N; Abdullin, Kh A; Gorelkinskii, Yurii V

    2000-01-01

    Existing data on the properties and structure of metastable and bistable defects in silicon are analyzed. Primary radiation-induced defects (vacancies, self-interstitial atoms, and Frenkel pairs), complexes of oxygen, carbon, hydrogen, and other impurity atoms and defects with negative correlation energy are considered. (reviews of topical problems)

  18. Harmonic Suppressed Slot Antennas Using Rectangular/Circular Defected Ground Structures

    Directory of Open Access Journals (Sweden)

    Mohammad Saeid Ghaffarian

    2012-01-01

    Full Text Available Two wide rectangle-shaped microstrip-fed 2.6-GHz slot antennas using defected ground structures (DGSs with a low design complexity are proposed to achieve wideband harmonic suppression. To accomplish this, two rectangular DGSs (RDGSs in the first antenna and two circular DGSs (CDGSs in the second one with various dimensions are etched into the ground plane, which could have a wideband-stop characteristic. Simulated and measured reflection coefficients indicate that the two proposed structures effectively suppress the second and third harmonics up to 23 dB between 3.5 and 10.5 GHz with a maximum ripple of 2.4 dB. In addition, the radiation patterns and peak gains of the antennas can be suppressed at least 17 dB and 7.1 dBi, respectively, at the third harmonic frequency of 7.86 GHz.

  19. Subsurface defect detection in first layer of pavement structure and reinforced civil engineering structure by FRP bonding using active infrared thermography

    Science.gov (United States)

    Dumoulin, Jean; Ibos, Laurent

    2010-05-01

    In many countries road network ages while road traffic and maintenance costs increase. Nowadays, thousand and thousand kilometers of roads are each year submitted to surface distress survey. They generally lean on pavement surface imaging measurement techniques, mainly in the visible spectrum, coupled with visual inspection or image processing detection of emergent distresses. Nevertheless, optimisation of maintenance works and costs requires an early detection of defects within the pavement structure when they still are hidden from surface. Accordingly, alternative measurement techniques for pavement monitoring are currently under investigation (seismic methods, step frequency radar). On the other hand, strengthening or retrofitting of reinforced concrete structures by externally bonded Fiber Reinforced Polymer (FRP) systems is now a commonly accepted and widespread technique. However, the use of bonding techniques always implies following rigorous installing procedures. To ensure the durability and long-term performance of the FRP reinforcements, conformance checking through an in situ auscultation of the bonded FRP systems is then highly suitable. The quality-control program should involve a set of adequate inspections and tests. Visual inspection and acoustic sounding (hammer tap) are commonly used to detect delaminations (disbonds) but are unable to provide sufficient information about the depth (in case of multilayered composite) and width of debonded areas. Consequently, rapid and efficient inspection methods are also required. Among the non destructive methods under study, active infrared thermography was investigated both for pavement and civil engineering structures through experiments in laboratory and numerical simulations, because of its ability to be also used on field. Pulse Thermography (PT), Pulse Phase Thermography (PPT) and Principal Component Thermography (PCT) approaches have been tested onto pavement samples and CFRP bonding on concrete

  20. The obscure factor analysis on the vibration reliability of the internals of nuclear power plant reactor and anti-vibration measures

    International Nuclear Information System (INIS)

    Fu Geyan; Zhu Qirong

    1998-11-01

    It is pointed out that the main reason making nuclear power plants reactors leak is the vibration of internals of reactors. The factors which lead the vibration all have randomness and obscureness. The obscure reliability theory is introduced to the vibration system of internals of nuclear power reactor. Based on a quantity of designing and moving data, the obscure factors effecting the vibration reliability of the internals of nuclear power plant reactor are analyzed and the anti-vibration reliability criteria and the evaluating model are given. And the anti-vibration reliability measures are advanced from different quarters of the machine design and building, the thermohydraulics design, the control of reactivity, etc.. They may benefit the theory and practice for building and perfecting the vibration obscure reliability model of the reactor internals

  1. Boron-substitution and defects in B2-type AlNi compound: Site-preference and influence on structural, thermodynamic and electronic properties

    Energy Technology Data Exchange (ETDEWEB)

    Capaz, Rodrigo B. [Instituto de Física, Universidade Federal do Rio de Janeiro, Caixa Postal 68528, Rio de Janeiro, RJ 21941-972 (Brazil); ElMassalami, M., E-mail: massalam@if.ufrj.br [Instituto de Física, Universidade Federal do Rio de Janeiro, Caixa Postal 68528, Rio de Janeiro, RJ 21941-972 (Brazil); Terrazos, L.A. [Centro de Educação e Saúde, Universidade Federal de Campina Grande, Cuité, PB 58175-000 (Brazil); Elhadi, M. [Instituto de Física, Universidade Federal do Rio de Janeiro, Caixa Postal 68528, Rio de Janeiro, RJ 21941-972 (Brazil); Takeya, H. [National Institute for Materials Science, 1-2-1, Sengen, Tsukuba, 305-0047 (Japan); Ghivelder, L. [Instituto de Física, Universidade Federal do Rio de Janeiro, Caixa Postal 68528, Rio de Janeiro, RJ 21941-972 (Brazil)

    2016-06-05

    Using a combination of theoretical (first-principles total-energy and electronic structure calculations) as well as experimental (structural, thermodynamics) techniques, we systematically investigated the influence of B incorporation on the structural, electronic and thermodynamic properties of a series of technologically-important B-containing AlNi matrix. Special attention was paid to calculating the energy cost of placing B at various sites within the cubic unit cell. The most energetically favorable defects were identified to be, depending on initial stoichiometry, substitutional B at Al site (B{sub Al}), Ni vacancy (V{sub Ni}), or Ni antisite (Ni{sub Al}). We show that the induced variation in the lattice parameters can be correlated with the type and concentration of the involved defects: e.g. the surge of V{sub Ni} defects leads to a stronger lattice-parameter reduction, that of Ni{sub Al} ones to a relatively weaker reduction while that of B{sub Al} defects to a much weaker influence. Both electronic band structure calculations as well as thermodynamics measurements indicate that the 3d bands of Ni are fully occupied and magnetically unpolarized and that the resulting N(E{sub F}) is very small: all studied compounds are normal conductors with no trace of superconductivity or magnetic polarization.

  2. Lectures on cosmic topological defects

    Energy Technology Data Exchange (ETDEWEB)

    Vachaspati, T [Department of Astronomy and Astrophysics, Colaba, Mumbai (India) and Physics Department, Case Western Reserve University, Cleveland (United States)

    2001-11-15

    These lectures review certain topological defects and aspects of their cosmology. Unconventional material includes brief descriptions of electroweak defects, the structure of domain walls in non-Abelian theories, and the spectrum of magnetic monopoles in SU(5) Grand Unified theory. (author)

  3. Vibration of carbon nanotubes with defects: order reduction methods

    Science.gov (United States)

    Hudson, Robert B.; Sinha, Alok

    2018-03-01

    Order reduction methods are widely used to reduce computational effort when calculating the impact of defects on the vibrational properties of nearly periodic structures in engineering applications, such as a gas-turbine bladed disc. However, despite obvious similarities these techniques have not yet been adapted for use in analysing atomic structures with inevitable defects. Two order reduction techniques, modal domain analysis and modified modal domain analysis, are successfully used in this paper to examine the changes in vibrational frequencies, mode shapes and mode localization caused by defects in carbon nanotubes. The defects considered are isotope defects and Stone-Wales defects, though the methods described can be extended to other defects.

  4. Advanced Boron Carbide-Based Visual Obscurants for Military Smoke Grenades

    Science.gov (United States)

    2014-07-13

    components on grenade burning time must be accounted for. Also, how these factors affect smoke cloud thickness and perceived visible obscuration...of Boron Carbide-Based Smoke Compositions. Propellants, Explos., Pyrotech. 2013, 38, 622-628. (30) Commission Internationale de l’Éclairage ( CIE ...volume, gives equation 2. Since αm is only a characteristic of the aerosol, it does not account for

  5. Selected topics in high temperature chemistry defect chemistry of solids

    CERN Document Server

    Johannesen, Ø

    2013-01-01

    The properties of materials at high temperature play a vital role in their processing and practical use. The real properties of materials at elevated temperatures are very often governed by defects in their structure. Lattice defects may consist of point defects like vacancies, interstitial atoms or substituted atoms. These classes are discussed in general and specifically for oxides, nitrides, carbides and sulfides. Defect aggregates, shear structures and adaptive structures are also described. Special attention is paid to hydrogen defects which seem to play an important role in several mater

  6. 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.

  7. Geometrically Thick Obscuration by Radiation-driven Outflow from Magnetized Tori of Active Galactic Nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Chan, Chi-Ho [Racah Institute of Physics, Hebrew University of Jerusalem, Jerusalem 91904 (Israel); Krolik, Julian H. [Department of Physics and Astronomy, Johns Hopkins University, Baltimore, MD 21218 (United States)

    2017-07-01

    Near-Eddington radiation from active galactic nuclei (AGNs) has significant dynamical influence on the surrounding dusty gas, plausibly furnishing AGNs with geometrically thick obscuration. We investigate this paradigm with radiative magnetohydrodynamics simulations. The simulations solve the magnetohydrodynamics equations simultaneously with the infrared (IR) and ultraviolet (UV) radiative transfer (RT) equations; no approximate closure is used for RT. We find that our torus, when given a suitable sub-Keplerian angular momentum profile, spontaneously evolves toward a state in which its opening angle, density distribution, and flow pattern change only slowly. This “steady” state lasts for as long as there is gas resupply toward the inner edge. The torus is best described as a midplane inflow and a high-latitude outflow. The outflow is launched from the torus inner edge by UV radiation and expands in solid angle as it ascends; IR radiation continues to drive the wide-angle outflow outside the central hole. The dusty outflow obscures the central source in soft X-rays, the IR, and the UV over three-quarters of solid angle, and each decade in column density covers roughly equal solid angle around the central source; these obscuration properties are similar to what observations imply.

  8. 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.

  9. Analysis of Manufacturing-Induced Defects and Structural Deformations in Lithium-Ion Batteries Using Computed Tomography

    Directory of Open Access Journals (Sweden)

    Yi Wu

    2018-04-01

    Full Text Available Premature battery drain, swelling and fires/explosions in lithium-ion batteries have caused wide-scale customer concerns, product recalls, and huge financial losses in a wide range of products including smartphones, laptops, e-cigarettes, hoverboards, cars, and commercial aircraft. Most of these problems are caused by defects which are difficult to detect using conventional nondestructive electrical methods and disassembly-based destructive analysis. This paper develops an effective computed tomography (CT-based nondestructive approach to assess battery quality and identify manufacturing-induced defects and structural deformations in batteries. Several unique case studies from commercial e-cigarette and smartphone applications are presented to show where CT analysis methods work.

  10. New fundamental defects in a-SiO2

    International Nuclear Information System (INIS)

    Karna, S.P.; Kurtz, H.A.; Shedd, W.M.; Pugh, R.D.; Singaraju, B.K.

    1999-01-01

    Throughout the three decades of research into radiation-induced degradation of metal-oxide-semiconductor (MOS) devices, investigators understood that point defects in the Si-SiO 2 structure (localized deviations from stoichiometrically pure Si and SiO 2 ) are responsible for many observed anomalies. Basic research in this area has progressed along two tracks: (i) differentiating the anomalies based upon subtle differences in their characteristic behavior, and (ii) precise description of the defects responsible for the anomalous behavior. These two research tracks are complementary since often a discovery in one area provides insight and ultimately leads to discoveries in the other. Here, the atomic structure and spin properties of two previously undescribed amorphous silicon dioxide fundamental point defects have been characterized for the first time by ab initio quantum mechanical calculations. Both defects are electrically neutral trivalent silicon centers in the oxide. One of the defects, the X-center, is determined to have an O 2 Sitriple b ondSi ↑ atomic structure. The other defect, called the Y-center, is found to have an OSi 2 triple b ondSi ↑ structure. Calculated electronic and electrical properties of the new defect centers are consistent with the published characteristics of the oxide switching trap or border trap precursors

  11. Atomic structure of defects in GaN:Mg grown with Ga polarity

    International Nuclear Information System (INIS)

    Liliental-Weber, Z.; Tomaszewicz, T.; Zakharov, D.; Jasinski, J.; O'Keefe, M.A.; Hautakangas, S.; Laakso, A.; Saarinen, K.

    2003-01-01

    Electron microscope phase images, produced by direct reconstruction of the scattered electron wave from a focal series of high-resolution images, were used to determine the nature of defects formed in GaN:Mg crystals. We studied bulk crystals grown from dilute solutions of atomic nitrogen in liquid gallium at high pressure and thin films grown by the MOCVD method. All the crystals were grown with Ga-polarity. In both types of samples the majority of defects were three dimensional Mg-rich hexagonal pyramids with bases on the (0001) plane and six walls on {11(und 2)3} planes seen in cross-section as triangulars. Some other defects appear in cross-section as trapezoidal (rectangular) defects as a result of presence of truncated pyramids. Both type of defects have hollow centers. They are decorated by Mg on all six side walls and a base. The GaN which grows inside on the defect walls shows polarity inversion. It is shown that change of polarity starts from the defect tip and propagates to the base, and that the stacking sequence changes from ab in the matrix to bc inside the defect. Exchange of the Ga sublattice with the N sublattice within the defect leads to 0.6 ± 0.2(angstrom) displacement between Ga sublattices outside and inside the defects. It is proposed that lateral overgrowth of the cavities formed within the defect takes place to restore matrix polarity on the defect base

  12. Positron lifetime calculation for defects and defect clusters in graphite

    International Nuclear Information System (INIS)

    Onitsuka, T.; Ohkubo, H.; Takenaka, M.; Tsukuda, N.; Kuramoto, E.

    2000-01-01

    Calculations of positron lifetime have been made for vacancy type defects in graphite and compared with experimental results. Defect structures were obtained in a model graphite lattice after including relaxation of whole lattice as determined by the molecular dynamics method, where the interatomic potential given by Pablo Andribet, Dominguez-Vazguez, Mari Carmen Perez-Martin, Alonso, Jimenez-Rodriguez [Nucl. Instrum. and Meth. 115 (1996) 501] was used. For the defect structures obtained via lattice relaxation positron lifetime was calculated under the so-called atomic superposition method. Positron lifetimes 204 and 222 ps were obtained for the graphite matrix and a single vacancy, respectively, which can be compared with the experimental results 208 and 233 ps. For planar vacancy clusters, e.g., vacancy loops, lifetime calculation was also made and indicated that lifetime increases with the number of vacancies in a cluster. This is consistent with the experimental result in the region of higher annealing temperature (above 1200 deg. C), where the increase of positron lifetime is seen, probably corresponding to the clustering of mobile vacancies

  13. X-ray diffuse scattering effects from Coulomb-type defects in multilayered structures

    International Nuclear Information System (INIS)

    Olikhovskii, S.I.; Molodkin, V.B.; Skakunova, E.S.; Kislovskii, E.N.; Fodchuk, I.M.

    2009-01-01

    The theoretical X-ray diffraction model starting from Takagi-Taupin equation has been developed for the description of coherent and diffuse components of the rocking curve (RC) measured from the multilayered crystal structure with randomly distributed Coulomb-type defects in all the layers and substrate. The model describes both diffuse scattering (DS) intensity distribution and influence of DS on attenuation and angular redistribution of the coherent X-ray scattering intensity. By analyzing the total measured RC with using the proposed diffraction model, the chemical compositions, strains, and characteristics of dislocation loops in layers and substrate of the multilayered structure with InGaAsN/GaAs single quantum well have been determined. (Abstract Copyright [2009], Wiley Periodicals, Inc.)

  14. Multiband Bandstop Filter using an I-Stub-Loaded Meandered Defected Microstrip Structure

    Directory of Open Access Journals (Sweden)

    G. R. Koirala

    2016-04-01

    Full Text Available This paper presents a compact multiband bandstop filter (BSF that utilizes an I-stub embedded within a meandered defected microstrip structure (MDMS. The proposed design for obtaining a single stopband is analyzed by using a transmission line network model. On the basis of the single stopband structure, we designed and fabricated a dual- and tri-band bandstop filters operating at 2.5/6.78 GHz and 1.98/5.60/7.78 GHz, respectively, thereby exploring the concept of generating as many stopbands by simply adding the same number of I-stubs. The proposed filter also features the possibility of tuning the resonant frequencies by varying the width of the I-stubs.

  15. Assessing Toxicity of Obscurant Grade Pan-Based Carbon Fiber Aquatic Species Chronic Tests

    National Research Council Canada - National Science Library

    Chester, N. A; Haley, M. V; Kumas, C. W; Checkai, R. T

    2004-01-01

    ...). Use of polyacrylonitrile (PAN)-based carbon fiber in the module will provide user-capability for delivering large area obscurant screens in the millimeter wave-range of the electromagnetic spectrum while maintaining...

  16. Various Stone-Wales defects in phagraphene

    Science.gov (United States)

    Openov, L. A.; Podlivaev, A. I.

    2016-08-01

    Various Stone-Wales defects in phagraphene, which is a graphene allotrope, predicted recently are studied in terms of the nonorthogonal tight-binding model. The energies of the defect formation and the heights of energy barriers preventing the formation and annealing of the defects are found. Corresponding frequency factors in the Arrhenius formula are calculated. The evolution of the defect structure is studied in the real-time mode using the molecular dynamics method.

  17. The theory of dissipative structures of the kinetic system for defects of nonlinear physical system 'metal+loading+irradiation'. Part 3

    International Nuclear Information System (INIS)

    Tarasov, V.A.; Borikov, T.L.; Kryzhanovskaya, T.V.; Chernezhenko, S.A.; Rusov, V.D.

    2007-01-01

    The kinetic system for defects of physical nonlinear system 'metal + load + irradiation' is specified [1, 2, 3]. Developing the approaches offered in [4], where distinctions of mechanisms of radiating creep and areas of their applicability are formalized (depending on external parameters) for fuel and constructional metals, division of kinetic systems for defects of constructional and fuel metals is carrying out. Thus the accent on the autocatalytic features of kinetic system for defects of reactor fuel metals, resulting from the exoenergic autocatalytic character of nuclear fission reactions being the main point defect source is done. In this part of the article the basic attention is given to the kinetic of sink drains for point defects. For kinetic systems of sinks-sources new approaches for the task of boundary conditions are offered. The possible structure of the computer program modelling kinetic system for defects of nonlinear physical system 'metal + load + irradiation' is considered

  18. Nanoscale interfacial defect shedding in a growing nematic droplet.

    Science.gov (United States)

    Gurevich, Sebastian; Provatas, Nikolas; Rey, Alejandro

    2017-08-01

    Interfacial defect shedding is the most recent known mechanism for defect formation in a thermally driven isotropic-to-nematic phase transition. It manifests in nematic-isotropic interfaces going through an anchoring switch. Numerical computations in planar geometry established that a growing nematic droplet can undergo interfacial defect shedding, nucleating interfacial defect structures that shed into the bulk as +1/2 point defects. By extending the study of interfacial defect shedding in a growing nematic droplet to larger length and time scales, and to three dimensions, we unveil an oscillatory growth mode involving shape and anchoring transitions that results in a controllable regular distributions of point defects in planar geometry, and complex structures of disclination lines in three dimensions.

  19. Trace Element Compositions and Defect Structures of High-Purity Quartz from the Southern Ural Region, Russia

    Directory of Open Access Journals (Sweden)

    Jens Götze

    2017-10-01

    Full Text Available Quartz samples of different origin from 10 localities in the Southern Ural region, Russia have been investigated to characterize their trace element compositions and defect structures. The analytical combination of cathodoluminescence (CL microscopy and spectroscopy, electron paramagnetic resonance (EPR spectroscopy, and trace-element analysis by inductively coupled plasma mass spectrometry (ICP-MS revealed that almost all investigated quartz samples showed very low concentrations of trace elements (cumulative concentrations of <50 ppm with <30 ppm Al and <10 ppm Ti and low abundances of paramagnetic defects, defining them economically as “high-purity” quartz (HPQ suitable for high-tech applications. EPR and CL data confirmed the low abundances of substitutional Ti and Fe, and showed Al to be the only significant trace element structurally bound in the investigated quartz samples. CL microscopy revealed a heterogeneous distribution of luminescence centres (i.e., luminescence active trace elements such as Al as well as features of deformation and recrystallization. It is suggested that healing of defects due to deformation-related recrystallization and reorganization processes of the quartz lattice during retrograde metamorphism resulted in low concentrations of CL activator and other trace elements or vacancies, and thus are the main driving processes for the formation of HPQ deposits in the investigated area.

  20. Structure and strain relaxation effects of defects in In{sub x}Ga{sub 1–x}N epilayers

    Energy Technology Data Exchange (ETDEWEB)

    Rhode, S. L., E-mail: sr583@cam.ac.uk; Fu, W. Y.; Massabuau, F. C.-P.; Kappers, M. J.; McAleese, C.; Oehler, F.; Humphreys, C. J.; Sahonta, S.-L. [Department of Materials Science and Metallurgy, University of Cambridge, Charles Babbage Road, Cambridge CB3 0FS (United Kingdom); Moram, M. A. [Department of Materials Science and Metallurgy, University of Cambridge, Charles Babbage Road, Cambridge CB3 0FS (United Kingdom); Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom); Dusane, R. O. [Department of Metallurgical Engineering and Materials Science, Indian Institute of Technology Bombay, Mumbai 400076 (India)

    2014-09-14

    The formation of trench defects is observed in 160 nm-thick In{sub x}Ga{sub 1–x}N epilayers with x≤0.20, grown on GaN on (0001) sapphire substrates using metalorganic vapour phase epitaxy. The trench defect density increases with increasing indium content, and high resolution transmission electron microscopy shows an identical structure to those observed previously in InGaN quantum wells, comprising meandering stacking mismatch boundaries connected to an I₁-type basal plane stacking fault. These defects do not appear to relieve in-plane compressive strain. Other horizontal sub-interface defects are also observed within the GaN pseudosubstrate layer of these samples and are found to be pre-existing threading dislocations which form half-loops by bending into the basal plane, and not basal plane stacking faults, as previously reported by other groups. The origins of these defects are discussed and are likely to originate from a combination of the small in-plane misorientation of the sapphire substrate and the thermal mismatch strain between the GaN and InGaN layers grown at different temperatures.

  1. Wide-Spectrum Microscope with a Long Working Distance Aspherical Objective Based on Obscuration Constraint

    Directory of Open Access Journals (Sweden)

    Weibo Wang

    2016-11-01

    Full Text Available We present an approach for an initial configuration design based on obscuration constraint and on-axis Taylor series expansion to realize the design of long working distance microscope (numerical aperture (NA = 0.13 and working distance (WD = 525 mm with a low obscuration aspherical Schwarzschild objective in wide-spectrum imaging (λ = 400–900 nm. Experiments of the testing on the resolution target and inspection on United States Air Force (USAF resolution chart and a line charge-coupled device (CCD (pixel size of 14 μm × 56 μm with different wavelength light sources (λ = 480 nm, 550 nm, 660 nm, 850 nm were implemented to verify the validity of the proposed method.

  2. Structural integrity evaluation of X52 gas pipes subjected to external corrosion defects using the SINTAP procedure

    Energy Technology Data Exchange (ETDEWEB)

    Adib-Ramezani, H. [Ecole Polytechnique de l' Universite d' Orleans, CNRS-CRMD, 8 rue Leonard de Vinci, 45072 Orleans Cedex 2 (France)]. E-mail: hradib_2000@yahoo.com; Jeong, J. [Ecole Polytechnique de l' Universite d' Orleans, CNRS-CRMD, 8 rue Leonard de Vinci, 45072 Orleans Cedex 2 (France); Pluvinage, G. [Laboratoire de Fiabilite Mecanique (LFM), Universite de Metz-ENIM, 57045 Metz (France)

    2006-06-15

    In the present study, the SINTAP procedure has been proposed as a general structural integrity tool for semi-spherical, semi-elliptical and long blunt notch defects. The notch stress intensity factor concept and SINTAP structural integrity procedure are employed to assess gas pipelines integrity. The external longitudinal defects have been investigated via elastic-plastic finite element method results. The notch stress intensity concept is implemented into SINTAP procedure. The safety factor is calculated via SINTAP procedure levels 0B and 1B. The extracted evaluations are compared with the limit load analysis based on ASME B31G, modified ASME B31G, DNV RP-F101 and recent proposed formulation [Choi JB, Goo BK, Kim JC, Kim YJ, Kim WS. Development of limit load solutions for corroded gas pipelines. Int J Pressure Vessel Piping 2003;80(2):121-128]. The comparison among extracted safety factors exhibits that SINTAP predictions are located between lower and upper safety factor bounds. The SINTAP procedure including notch-based assessment diagram or so-called 'NFAD' involves wide range of defect geometries with low, moderate and high stress concentrations and relative stress gradients. Finally, some inspired and advanced viewpoints have been investigated.

  3. Structural integrity evaluation of X52 gas pipes subjected to external corrosion defects using the SINTAP procedure

    International Nuclear Information System (INIS)

    Adib-Ramezani, H.; Jeong, J.; Pluvinage, G.

    2006-01-01

    In the present study, the SINTAP procedure has been proposed as a general structural integrity tool for semi-spherical, semi-elliptical and long blunt notch defects. The notch stress intensity factor concept and SINTAP structural integrity procedure are employed to assess gas pipelines integrity. The external longitudinal defects have been investigated via elastic-plastic finite element method results. The notch stress intensity concept is implemented into SINTAP procedure. The safety factor is calculated via SINTAP procedure levels 0B and 1B. The extracted evaluations are compared with the limit load analysis based on ASME B31G, modified ASME B31G, DNV RP-F101 and recent proposed formulation [Choi JB, Goo BK, Kim JC, Kim YJ, Kim WS. Development of limit load solutions for corroded gas pipelines. Int J Pressure Vessel Piping 2003;80(2):121-128]. The comparison among extracted safety factors exhibits that SINTAP predictions are located between lower and upper safety factor bounds. The SINTAP procedure including notch-based assessment diagram or so-called 'NFAD' involves wide range of defect geometries with low, moderate and high stress concentrations and relative stress gradients. Finally, some inspired and advanced viewpoints have been investigated

  4. Structural integrity evaluation of SG tube with surface wear-type defects

    International Nuclear Information System (INIS)

    Kim, Jong Min; Huh, Nam Su; Chang, Yoon Suk; Kim, Young Jin; Hwang, Seong Sik; Kim, Joung Soo

    2006-01-01

    During the last two decades, several guidelines have been developed and used for assessing the integrity of a defective Steam Generator (SG) tube that is generally caused by stress corrosion cracking or wall-thinning phenomenon. However, as some of SG tubes are also failed due to fretting and so on, alternative failure estimation schemes are required for relevant defects. In this paper, parametric three-dimensional Finite Element (FE) analyses are carried out under internal pressure condition to simulate the failure behavior of SG tubes with different defect configurations; elliptical wear, tapered and flat wear type defects. Maximum pressures based on material strengths are obtained from more than a hundred FE results to predict the failure of SG tube. After investigating the effect of key parameters such as defect depth, defect length and wrap angle, simplified failure estimation equations are proposed in relation to the equivalent stress at the deepest point in wear region. Comparison of failure pressures predicted by the proposed estimation scheme with corresponding burst test data showed a good agreement

  5. Topological defects in extended inflation

    International Nuclear Information System (INIS)

    Copeland, E.J.; Kolb, E.W.; Chicago Univ., IL; Liddle, A.R.

    1990-04-01

    We consider the production of topological defects, especially cosmic strings, in extended inflation models. In extended inflation, the Universe passes through a first-order phase transition via bubble percolation, which naturally allows defects to form at the end of inflation. The correlation length, which determines the number density of the defects, is related to the mean size of bubbles when they collide. This mechanism allows a natural combination of inflation and large-scale structure via cosmic strings. 18 refs

  6. Topological defects in extended inflation

    International Nuclear Information System (INIS)

    Copeland, E.J.; Kolb, E.W.; Liddle, A.R.

    1990-01-01

    We consider the production of topological defects, especially cosmic strings, in extended-inflation models. In extended inflation, the Universe passes through a first-order phase transition via bubble percolation, which naturally allows defects to form at the end of inflation. The correlation length, which determines the number density of the defects, is related to the mean size of the bubbles when they collide. This mechanism allows a natural combination of inflation and large-scale structure via cosmic strings

  7. Effects of intrinsic defects on the electronic structure and magnetic properties of CoFe{sub 2}O{sub 4}: A first-principles study

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Y.L.; Fan, W.B. [School of Materials Science and Engineering, Nanchang Hangkong University, Nanchang 330063 (China); Hou, Y.H., E-mail: hyhhyl@163.com [School of Materials Science and Engineering, Nanchang Hangkong University, Nanchang 330063 (China); Guo, K.X. [School of Materials Science and Engineering, Nanchang Hangkong University, Nanchang 330063 (China); Ouyang, Y.F. [Department of Physics, Guangxi University, Nanning 530004 (China); Liu, Z.W. [School of Materials Science and Engineering, South China University of Technology, Guangzhou 510640 (China)

    2017-05-01

    The cobalt ferrite (CoFe{sub 2}O{sub 4}) with spinel structure has achieved a great interest as a very important magnetic material which has covered a wide range of applications. The formation condition and energy of possible intrinsic point defects have been investigated by the first-principles calculations, and the effects of the intrinsic point defects on the electronic and magnetic properties of CoFe{sub 2}O{sub 4} have been analyzed. It is found that the growth conditions have a great effect on the formation energy of intrinsic point defects, and each point defect with its fully ionized state is the most stable for the intrinsic point defects with various charge states. In an oxygen rich environment, the cation vacancies are easy to form shallow acceptors, which is conducive to the strength of the p-type conductivity. While in the metal rich environment, the oxygen vacancies tend to form donors which lead to the n-type conductivity. There exists extra levels in the band gap when point defects are present, resulting in a reduction of the band gap. The net magnetic moment depends highly on the defects. - Highlights: • The intrinsic defects in CoFe{sub 2}O{sub 4} were investigated by first-principles calculation. • The effects of intrinsic defects on the electronic structures and magnetic properties of CoFe{sub 2}O{sub 4} were analyzed.

  8. Analysis of structure and defects in thin silicon films deposited from hydrogen diluted silane

    International Nuclear Information System (INIS)

    Elzakker, G. van; Nadazdy, V.; Tichelaar, F.D.; Metselaar, J.W.; Zeman, M.

    2006-01-01

    Thin silicon layers have been deposited from silane diluted with hydrogen. The dilution ratio R (R = [H 2 ]/[SiH 4 ]) has been varied between R = 0 and R = 40. The structural properties of Si:H films have been studied using transmission electron microscopy imaging and Raman spectroscopy. The phase evolution from the amorphous phase into the mixed and eventually microcrystalline phase strongly depends on the hydrogen dilution. The initiation of the microcrystalline growth occurs between R = 20 and R = 25. The phase transition becomes more abrupt with increasing hydrogen dilution. Optoelectronic properties of the layers have been determined. Increasing hydrogen dilution results in films with increasing effective defect density and Urbach energy, which is related to inhomogeneous growth. The charge deep-level transient spectroscopy technique (Q-DLTS) was applied for the first time on hydrogen diluted thin silicon films in order to investigate the energy distribution of the defect states in these layers as a function of the dilution ratio R. The Q-DLTS spectra indicate a difference in defect-state distribution when the films evolve from the amorphous phase into the microcrystalline phase

  9. Alpha-particle irradiation induced defects in SiO2 films of Si-SiO2 structures

    International Nuclear Information System (INIS)

    Koman, B.P.; Gal'chynskyy, O.V.; Kovalyuk, R.O.; Shkol'nyy, A.K.

    1996-01-01

    The aim of the work was to investigate alpha-particle irradiation induced defects in Si-SiO 2 structures by means of the thermostimulated discharge currents (TSDC) analysis. The object of investigation were (p-Si)-SiO 2 structures formed by a combined oxidation of the industrial p-Si wafers in dry and wet oxygen at temperature of 1150 C. The TSD currents were investigated in the temperature range between 90 and 500 K under linear heating rate. Pu 238 isotopes were the source of alpha-particles with an energy of 4-5 MeV and a density of 5.10 7 s -1 cm -2 . The TSD current curves show two peculiar maxima at about 370 and 480 K. Alpha-particle irradiation doesn't affect the general shape of the TSDC curves but leads to a shift of the maximum at 370 K and reduces the total electret charge which is accumulated in the Si-SiO 2 structures during polarization. The energy distribution function of the defects which are involved in SiO 2 polarization has been calculated. It showes that defects with activation energies of about 0.8 and 1.0 eV take part in forming the electret state, and these activation energies have certain energy distributions. It has been found that the TSDC maximum at 370 K has space charge nature and is caused by migration of hydrogen ions. In irradiated samples hydrogen and natrium ions localize on deeper trapping centres induced by alpha-particle irradiation. (orig.)

  10. NuSTAR observations of heavily obscured quasars at z ~ 0.5

    DEFF Research Database (Denmark)

    Lansbury, G. B.; Alexander, D. M.; Del Moro, A.

    2014-01-01

    We present NuSTAR hard X-ray observations of three Type 2 quasars at z ≈ 0.4-0.5, optically selected from the Sloan Digital Sky Survey. Although the quasars show evidence for being heavily obscured, Compton-thick systems on the basis of the 2-10 keV to [O III] luminosity ratio and multiwavelength...

  11. Defect grating modes as superimposed grating states

    NARCIS (Netherlands)

    van Groesen, Embrecht W.C.; Sopaheluwakan, A.; Andonowati, A.; de Ridder, R.M; de Ridder, R.M.; Altena, G; Altena, G.; Geuzebroek, D.H.; Geuzenboek, D.; Dekker, R.; Dekker, R

    2003-01-01

    For a symmetric grating structure with a defect, we show that a fully transmitted defect mode in the band gap can be obtained as a superposition of two steady states: an amplified and an attenuated defect state. Without scanning the whole band gap by transmission calculations, this simplifies the

  12. Effect of manufacturing method on the magnetic properties and formation of structural defects in Fe61Co10Y8Zr1B20 amorphous alloy

    International Nuclear Information System (INIS)

    Nabialek, M.G.; Pietrusiewicz, P.; Dospial, M.J.; Szota, M.; Błoch, K.; Gruszka, K.; Oźga, K.; Garus, S.

    2014-01-01

    Highlights: • Influence of manufacturing method on structural defects was studied. • Samples were obtained by the use of injection-casting and melt-spinning techniques. • The defects have been indirectly analyzed by approach to ferromagnetic saturation. • Prolonged solidification time allows recombination of atoms arrangement in a volume. • That reduce internal stress and leads to increase in the packing density of atoms. - Abstract: Soft magnetic properties of amorphous alloys are determined by their structure, which strongly depends on their manufacturing method. Alloys obtained in the form of conventional amorphous alloys (tapes) are cooled with a much higher rate than the material obtained in the form of tiles by the injection casting method. The cooling rate and production method determines the type and number of structural defects created in the volume of produced samples. The paper presents an indirect method for the analysis of structural defects and their effect on the magnetic properties of studied alloys. Basing on initial magnetization curve analysis in the area of so-called approach to ferromagnetic saturation was found that point defects were forming in the samples in the form of tapes. The magnetization process of tiles were influenced by the presence of conglomerates of point defects called quasidislocation dipoles

  13. Molecular-dynamics simulation of defect formation energy in boron nitride nanotubes

    International Nuclear Information System (INIS)

    Moon, W.H.; Hwang, H.J.

    2004-01-01

    We investigate the defect formation energy of boron nitride nanotubes (BNNTs) using molecular dynamics simulation. Although the defect with tetragon-octagon pairs (TOP) is favored in the flat BNNTs cap, BN clusters, and the growth of BNNTs, the formation energy of the TOP defect is significantly higher than that of the pentagon-heptagon pairs (PHP) defect in BNNTs. The PHP defect reduces the effect of the structural distortion caused by the TOP defect, in spite of homoelemental bonds. The instability of the TOP defect generates the structural transformation into BNNTs with no defect at about 1500 K. This mechanism shows that the TOP defect is less favored in case of BNNTs

  14. Experimental study of defect power reactor fuel. Final report

    International Nuclear Information System (INIS)

    Forsyth, R.S.; Jonsson, T.

    1982-01-01

    Two BWR fuel rods, one intact and one defect, with the same manufacturing and irradiation data have been examined in a comparative study. The defect rod has been irradiated in a defect condition during approximately one reactor cycle and has consequently some secondary defects. The defect rod has two penetrating defects at a distance of about 1.5 meters from each other. Comparison with the intact rod shows a large Cs loss from the defect rod, especially between the cladding defects, where the loss is measured to about 30 %. The leachibility in deionized water is higher for Cs, U and Cm for fuel from the defect rod. The leaching results are more complex for Sr-90, Pu and Am. The fuel in the defect rod has undergone a change of structure with gain growth and formation of oriented fuel structure. The cladding of the defect rod is hydrided locally in some parts of the lower part of the rod and furthermore over a more extended region near the end of the rod. (Authors)

  15. Anisotropic bias dependent transport property of defective phosphorene layer

    Science.gov (United States)

    Umar Farooq, M.; Hashmi, Arqum; Hong, Jisang

    2015-01-01

    Phosphorene is receiving great research interests because of its peculiar physical properties. Nonetheless, no systematic studies on the transport properties modified due to defects have been performed. Here, we present the electronic band structure, defect formation energy and bias dependent transport property of various defective systems. We found that the defect formation energy is much less than that in graphene. The defect configuration strongly affects the electronic structure. The band gap vanishes in single vacancy layers, but the band gap reappears in divacancy layers. Interestingly, a single vacancy defect behaves like a p-type impurity for transport property. Unlike the common belief, we observe that the vacancy defect can contribute to greatly increasing the current. Along the zigzag direction, the current in the most stable single vacancy structure was significantly increased as compared with that found in the pristine layer. In addition, the current along the armchair direction was always greater than along the zigzag direction and we observed a strong anisotropic current ratio of armchair to zigzag direction. PMID:26198318

  16. Structural defects in cilia of the choroid plexus, subfornical organ and ventricular ependyma are associated with ventriculomegaly

    Directory of Open Access Journals (Sweden)

    Swiderski Ruth E

    2012-10-01

    Full Text Available Abstract Background Hydrocephalus is a heterogeneous disorder with multiple etiologies that are not yet fully understood. Animal models have implicated dysfunctional cilia of the ependyma and choroid plexus in the development of the disorder. In this report, we sought to determine the origin of the ventriculomegaly in four Bardet Biedl syndrome (BBS mutant mouse strains as models of a ciliopathy. Methods Evans Blue dye was injected into the lateral ventricle of wild- type and BBS mutant mice to determine whether obstruction of intra- or extra-ventricular CSF flow contributed to ventriculomegaly. Transmission electron microscopy (TEM was used to examine the ultrastructure of the choroid plexus, subfornical organ (SFO, subcommisural organ (SCO, and ventricular ependyma to evaluate their ultrastructure and the morphology of their primary and motile cilia. Results and discussion No obstruction of intra- or extra-ventricular CSF flow was observed, implying a communicating form of hydrocephalus in BBS mutant mice. TEM analyses of the mutants showed no evidence of choroidal papillomas or breakdown of the blood:CSF barrier. In contrast, structural defects were observed in a subpopulation of cilia lining the choroid plexus, SFO, and ventricular ependyma. These included disruptions of the microtubular structure of the axoneme and the presence of electron-dense vesicular-like material along the ciliary shaft and at the tips of cilia. Conclusions Abnormalities in cilia structure and function have the potential to influence ciliary intraflagellar transport (IFT, cilia maintenance, protein trafficking, and regulation of CSF production. Ciliary structural defects are the only consistent pathological features associated with CSF-related structures in BBS mutant mice. These defects are observed from an early age, and may contribute to the underlying pathophysiology of ventriculomegaly.

  17. Simulation of pattern and defect detection in periodic amplitude and phase structures using photorefractive four-wave mixing

    Science.gov (United States)

    Nehmetallah, Georges; Banerjee, Partha; Khoury, Jed

    2015-03-01

    The nonlinearity inherent in four-wave mixing in photorefractive (PR) materials is used for adaptive filtering. Examples include script enhancement on a periodic pattern, scratch and defect cluster enhancement, periodic pattern dislocation enhancement, etc. through intensity filtering image manipulation. Organic PR materials have large space-bandwidth product, which makes them useful in adaptive filtering techniques in quality control systems. For instance, in the case of edge enhancement, phase conjugation via four-wave mixing suppresses the low spatial frequencies of the Fourier spectrum of an aperiodic image and consequently leads to image edge enhancement. In this work, we model, numerically verify, and simulate the performance of a four wave mixing setup used for edge, defect and pattern detection in periodic amplitude and phase structures. The results show that this technique successfully detects the slightest defects clearly even with no enhancement. This technique should facilitate improvements in applications such as image display sharpness utilizing edge enhancement, production line defect inspection of fabrics, textiles, e-beam lithography masks, surface inspection, and materials characterization.

  18. Effect of defects, magnetocrystalline anisotropy, and shape anisotropy on magnetic structure of iron thin films by magnetic force microscopy

    Directory of Open Access Journals (Sweden)

    Ke Xu

    2017-05-01

    Full Text Available Microstructures of magnetic materials, including defects and crystallographic orientations, are known to strongly influence magnetic domain structures. Measurement techniques such as magnetic force microscopy (MFM thus allow study of correlations between microstructural and magnetic properties. The present work probes effects of anisotropy and artificial defects on the evolution of domain structure with applied field. Single crystal iron thin films on MgO substrates were milled by Focused Ion Beam (FIB to create different magnetically isolated squares and rectangles in [110] crystallographic orientations, having their easy axis 45° from the sample edge. To investigate domain wall response on encountering non-magnetic defects, a 150 nm diameter hole was created in the center of some samples. By simultaneously varying crystal orientation and shape, both magnetocrystalline anisotropy and shape anisotropy, as well as their interaction, could be studied. Shape anisotropy was found to be important primarily for the longer edge of rectangular samples, which exaggerated the FIB edge effects and provided nucleation sites for spike domains in non-easy axis oriented samples. Center holes acted as pinning sites for domain walls until large applied magnetic fields. The present studies are aimed at deepening the understanding of the propagation of different types of domain walls in the presence of defects and different crystal orientations.

  19. Defect-driven interfacial electronic structures at an organic/metal-oxide semiconductor heterojunction.

    Science.gov (United States)

    Winget, Paul; Schirra, Laura K; Cornil, David; Li, Hong; Coropceanu, Veaceslav; Ndione, Paul F; Sigdel, Ajaya K; Ginley, David S; Berry, Joseph J; Shim, Jaewon; Kim, Hyungchui; Kippelen, Bernard; Brédas, Jean-Luc; Monti, Oliver L A

    2014-07-16

    The electronic structure of the hybrid interface between ZnO and the prototypical organic semiconductor PTCDI is investigated via a combination of ultraviolet and X-ray photoelectron spectroscopy (UPS/XPS) and density functional theory (DFT) calculations. The interfacial electronic interactions lead to a large interface dipole due to substantial charge transfer from ZnO to 3,4,9,10-perylenetetracarboxylicdiimide (PTCDI), which can be properly described only when accounting for surface defects that confer ZnO its n-type properties. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. An engineering assessment methodology for non-sharp defects in steel structures – Part I: Procedure development

    International Nuclear Information System (INIS)

    Horn, A.J.; Sherry, A.H.

    2012-01-01

    This Part I paper describes a new engineering assessment methodology for ferritic steel structures containing non-sharp defects within the context of a Failure Assessment Diagram (FAD) approach. Although the modification of the FAD for non-sharp defects can be applied whether the initiating failure mechanism is cleavage or ductile tearing, this paper focuses on cleavage fracture. The parameters describing the sensitivity of the material toughness to the notch effect can either be measured by testing notched specimens of the same thickness as the structure, or for cleavage fracture they can be obtained using look-up tables generated using the Weibull stress toughness scaling model. The other parameters in the procedure can either be conservatively estimated using simple equations or they can be determined more accurately using finite element analysis. Validation of the new method is presented in the companion Part II paper: this shows that assessments of U-notched SE(B) specimens have significantly reduced conservatism when using the new assessment methodology compared to the standard FAD approach for sharp cracks. - Highlights: ► Development of a new procedure for predicting failure from non-sharp defects. ► Based on a modification of the Failure Assessment Diagram (FAD) approach. ► Applicable to cleavage and ductile tearing initiation although paper focuses on cleavage. ► Validation provided in a companion Part II paper.

  1. New radiative transfer models for obscuring tori in active galaxies

    OpenAIRE

    van Bemmel, I. M.; Dullemond, C. P.

    2003-01-01

    Two-dimensional radiative transfer is employed to obtain the broad-band infrared spectrum of active galaxies. In the models we vary the geometry and size of the obscuring medium, the surface density, the opacity and the grain size distribution. Resulting spectral energy distributions are constructed for different orientations of the toroid. Colour-colour comparisons with observational data are consistent with previous observations that the emission longward of 60 micron is produced by star-fo...

  2. A SUBMILLIMETER CONTINUUM SURVEY OF LOCAL DUST-OBSCURED GALAXIES

    International Nuclear Information System (INIS)

    Lee, Jong Chul; Hwang, Ho Seong; Lee, Gwang-Ho

    2016-01-01

    We conduct a 350 μ m dust continuum emission survey of 17 dust-obscured galaxies (DOGs) at z = 0.05–0.08 with the Caltech Submillimeter Observatory (CSO). We detect 14 DOGs with S 350μm = 114–650 mJy and signal-to-noise > 3. By including two additional DOGs with submillimeter data in the literature, we are able to study dust content for a sample of 16 local DOGs, which consist of 12 bump and four power-law types. We determine their physical parameters with a two-component modified blackbody function model. The derived dust temperatures are in the range 57–122 K and 22–35 K for the warm and cold dust components, respectively. The total dust mass and the mass fraction of the warm dust component are 3–34 × 10 7 M ⊙ and 0.03%–2.52%, respectively. We compare these results with those of other submillimeter-detected infrared luminous galaxies. The bump DOGs, the majority of the DOG sample, show similar distributions of dust temperatures and total dust mass to the comparison sample. The power-law DOGs show a hint of smaller dust masses than other samples, but need to be tested with a larger sample. These findings support that the reason DOGs show heavy dust obscuration is not an overall amount of dust content, but probably the spatial distribution of dust therein.

  3. A SUBMILLIMETER CONTINUUM SURVEY OF LOCAL DUST-OBSCURED GALAXIES

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Jong Chul [Korea Astronomy and Space Science Institute, 776 Daedeokdae-ro, Yuseong-gu, Daejeon 34055 (Korea, Republic of); Hwang, Ho Seong [School of Physics, Korea Institute for Advanced Study, 85 Hoegiro, Dongdaemun-gu, Seoul 02455 (Korea, Republic of); Lee, Gwang-Ho, E-mail: jclee@kasi.re.kr [Department of Physics and Astronomy, Seoul National University, 1 Gwanak-ro, Gwanak-gu, Seoul 151-742 (Korea, Republic of)

    2016-12-20

    We conduct a 350 μ m dust continuum emission survey of 17 dust-obscured galaxies (DOGs) at z = 0.05–0.08 with the Caltech Submillimeter Observatory (CSO). We detect 14 DOGs with S{sub 350μm} = 114–650 mJy and signal-to-noise > 3. By including two additional DOGs with submillimeter data in the literature, we are able to study dust content for a sample of 16 local DOGs, which consist of 12 bump and four power-law types. We determine their physical parameters with a two-component modified blackbody function model. The derived dust temperatures are in the range 57–122 K and 22–35 K for the warm and cold dust components, respectively. The total dust mass and the mass fraction of the warm dust component are 3–34 × 10{sup 7} M {sub ⊙} and 0.03%–2.52%, respectively. We compare these results with those of other submillimeter-detected infrared luminous galaxies. The bump DOGs, the majority of the DOG sample, show similar distributions of dust temperatures and total dust mass to the comparison sample. The power-law DOGs show a hint of smaller dust masses than other samples, but need to be tested with a larger sample. These findings support that the reason DOGs show heavy dust obscuration is not an overall amount of dust content, but probably the spatial distribution of dust therein.

  4. Modified Statistical Dynamical Diffraction Theory: A Novel Metrological Analysis Method for Partially Relaxed and Defective Carbon-doped Silicon and Silicon Germanium Heterostructures

    Science.gov (United States)

    Shreeman, Paul K.

    The statistical dynamical diffraction theory, which has been initially developed by late Kato remained in obscurity for many years due to intense and difficult mathematical treatment that proved to be quite challenging to implement and apply. With assistance of many authors in past (including Bushuev, Pavlov, Pungeov, and among the others), it became possible to implement this unique x-ray diffraction theory that combines the kinematical (ideally imperfect) and dynamical (the characteristically perfect diffraction) into a single system of equations controlled by two factors determined by long range order and correlation function within the structure. The first stage is completed by the publication (Shreeman and Matyi, J. Appl. Cryst., 43, 550 (2010)) demonstrating the functionality of this theory with new modifications hence called modified statistical dynamical diffraction theory (mSDDT). The foundation of the theory is also incorporated into this dissertation, and the next stage of testing the model against several ion-implanted SiGe materials has been published: (Shreeman and Matyi, physica status solidi (a)208(11), 2533-2538, 2011). The dissertation with all the previous results summarized, dives into comprehensive analysis of HRXRD analyses complete with several different types of reflections (symmetrical, asymmetrical and skewed geometry). The dynamical results (with almost no defects) are compared with well-known commercial software. The defective materials, to which commercially available modeling software falls short, is then characterized and discussed in depth. The results will exemplify the power of the novel approach in the modified statistical dynamical diffraction theory: Ability to detect and measure defective structures qualitatively and quantitatively. The analysis will be compared alongside with TEM data analysis for verification and confirmation. The application of this theory will accelerate the ability to quickly characterize the relaxed

  5. First-Principles Investigations of Defects in Minerals

    Science.gov (United States)

    Verma, Ashok K.

    2011-07-01

    The ideal crystal has an infinite 3-dimensional repetition of identical units which may be atoms or molecules. But real crystals are limited in size and they have disorder in stacking which as called defects. Basically three types of defects exist in solids: 1) point defects, 2) line defects, and 3) surface defects. Common point defects are vacant lattice sites, interstitial atoms and impurities and these are known to influence strongly many solid-state transport properties such as diffusion, electrical conduction, creep, etc. In thermal equilibrium point defects concentrations are determined by their formation enthalpies and their movement by their migration barriers. Line and surface defects are though absent from the ideal crystal in thermal equilibrium due to higher energy costs but they are invariably present in all real crystals. Line defects include edge-, screw- and mixed-dislocations and their presence is essential in explaining the mechanical strength and deformation of real crystals. Surface defects may arise at the boundary between two grains, or small crystals, within a larger crystal. A wide variety of grain boundaries can form in a polycrystal depending on factors such growth conditions and thermal treatment. In this talk we will present our first-principles density functional theory based defect studies of SiO2 polymorphs (stishovite, CaCl2-, α-PbO2-, and pyrite-type), Mg2SiO4 polymorphs (forsterite, wadsleyite and ringwoodite) and MgO [1-3]. Briefly, several native point defects including vacancies, interstitials, and their complexes were studied in silica polymorphs upto 200 GPa. Their values increase by a factor of 2 over the entire pressure range studied with large differences in some cases between different phases. The Schottky defects are energetically most favorable at zero pressure whereas O-Frenkel pairs become systematically more favorable at pressures higher than 20 GPa. The geometric and electronic structures of defects and migrating

  6. Partial dust obscuration in active galactic nuclei as a cause of broad-line profile and lag variability, and apparent accretion disc inhomogeneities

    Science.gov (United States)

    Gaskell, C. Martin; Harrington, Peter Z.

    2018-04-01

    The profiles of the broad emission lines of active galactic nuclei (AGNs) and the time delays in their response to changes in the ionizing continuum ("lags") give information about the structure and kinematics of the inner regions of AGNs. Line profiles are also our main way of estimating the masses of the supermassive black holes (SMBHs). However, the profiles often show ill-understood, asymmetric structure and velocity-dependent lags vary with time. Here we show that partial obscuration of the broad-line region (BLR) by outflowing, compact, dusty clumps produces asymmetries and velocity-dependent lags similar to those observed. Our model explains previously inexplicable changes in the ratios of the hydrogen lines with time and velocity, the lack of correlation of changes in line profiles with variability of the central engine, the velocity dependence of lags, and the change of lags with time. We propose that changes on timescales longer than the light-crossing time do not come from dynamical changes in the BLR, but are a natural result of the effect of outflowing dusty clumps driven by radiation pressure acting on the dust. The motion of these clumps offers an explanation of long-term changes in polarization. The effects of the dust complicate the study of the structure and kinematics of the BLR and the search for sub-parsec SMBH binaries. Partial obscuration of the accretion disc can also provide the local fluctuations in luminosity that can explain sizes deduced from microlensing.

  7. Di-interstitial defect in silicon revisited

    International Nuclear Information System (INIS)

    Londos, C. A.; Antonaras, G.; Chroneos, A.

    2013-01-01

    Infrared spectroscopy was used to study the defect spectrum of Cz-Si samples following fast neutron irradiation. We mainly focus on the band at 533 cm −1 , which disappears from the spectra at ∼170 °C, exhibiting similar thermal stability with the Si-P6 electron paramagnetic resonance (EPR) spectrum previously correlated with the di-interstitial defect. The suggested structural model of this defect comprises of two self-interstitial atoms located symmetrically around a lattice site Si atom. The band anneals out following a first-order kinetics with an activation energy of 0.88 ± 0.3 eV. This value does not deviate considerably from previously quoted experimental and theoretical values for the di-interstitial defect. The present results indicate that the 533 cm −1 IR band originates from the same structure as that of the Si-P6 EPR spectrum

  8. Obscure gastrointestinal bleeding: preliminary comparison of 64-section CT enteroclysis with video capsule endoscopy

    International Nuclear Information System (INIS)

    Khalife, Samer; Vahedi, Kouroche; Dray, Xavier; Marteau, Philippe; Soyer, Philippe; Hamzi, Lounis; Place, Vinciane; Boudiaf, Mourad; Alatawi, Abdullah

    2011-01-01

    To retrospectively compare the diagnostic capabilities of 64-section CT enteroclysis with those of video capsule endoscopy (VCE) to elucidate the cause of obscure gastrointestinal bleeding. Thirty-two patients who had 64-section CT enteroclysis and VCE because of obscure gastrointestinal bleeding were included. Imaging findings were compared with those obtained at double balloon endoscopy, surgery and histopathological analysis, which were used as a standard of reference. Concordant findings were found in 22 patients (22/32; 69%), including normal findings (n = 13), tumours (n = 7), lymphangiectasia (n = 1) and inflammation (n = 1), and discrepancies in 10 patients (10/32; 31%), including ulcers (n = 3), angioectasias (n = 2), tumours (n = 2) and normal findings (n = 3). No statistical difference in the proportions of abnormal findings between 64-section CT enteroclysis (11/32; 34%) and VCE (17/32, 53%) (P = 0.207) was found. However, 64-section CT enteroclysis helped identify tumours not detected at VCE (n = 2) and definitely excluded suspected tumours (n = 3) because of bulges at VCE. Conversely, VCE showed ulcers (n = 3) and angioectasias (n = 2) which were not visible at 64-section CT enteroclysis. Our results suggest that 64-section CT enteroclysis and VCE have similar overall diagnostic yields in patients with obscure gastrointestinal bleeding. However, the two techniques are complementary in this specific population. (orig.)

  9. NuSTAR and XMM-Newton observations of luminous, heavily obscured, WISE-selected quasars at z ∼ 2

    Energy Technology Data Exchange (ETDEWEB)

    Stern, D.; Eisenhardt, P. R. M. [Jet Propulsion Laboratory, California Institute of Technology, 4800 Oak Grove Drive, Mail Stop 169-221, Pasadena, CA 91109 (United States); Lansbury, G. B.; Alexander, D. M.; Del Moro, A.; Gandhi, P. [Department of Physics, University of Durham, South Road, Durham DH1 3LE (United Kingdom); Assef, R. J. [Núcleo de Astronomía de la Facultad de Ingeniería, Universidad Diego Portales, Av. Ejército Libertador 441, Santiago (Chile); Brandt, W. N.; Griffith, R. L. [Department of Astronomy and Astrophysics, The Pennsylvania State University, 525 Davey Lab, University Park, PA 16802 (United States); Ballantyne, D. R. [Center for Relativistic Astrophysics, School of Physics, Georgia Institute of Technology, Atlanta, GA 30332 (United States); Baloković, M.; Bridge, C. [Cahill Center for Astronomy and Astrophysics, California Institute of Technology, Pasadena, CA 91125 (United States); Bauer, F. E. [Instituto de Astrofísica, Facultad de Física, Pontificia Universidad Católica de Chile, 306, Santiago 22 (Chile); Benford, D. [NASA Goddard Space Flight Center, Greenbelt, MD 20771 (United States); Blain, A. [Physics and Astronomy, University of Leicester, 1 University Road, Leicester, LE1 7RH (United Kingdom); Boggs, S. E.; Craig, W. W. [Space Sciences Laboratory, University of California, Berkeley, 7 Gauss Way, Berkeley, CA 94720-7450 (United States); Brightman, M. [Max-Planck-Institut für extraterrestrische Physik, Giessenbachstrasse 1, D-85748, Garching bei München (Germany); Christensen, F. E. [Danish Technical University, DK-2800 Lyngby (Denmark); Comastri, A., E-mail: daniel.k.stern@jpl.nasa.gov [INAF Osservatorio Astronomico di Bologna, via Ranzani 1, I-40127, Bologna (Italy); and others

    2014-10-20

    We report on a NuSTAR and XMM-Newton program that has observed a sample of three extremely luminous, heavily obscured WISE-selected active galactic nuclei (AGNs) at z ∼ 2 across a broad X-ray band (0.1 – 79 keV). The parent sample, selected to be faint or undetected in the WISE 3.4 μm (W1) and 4.6 μm (W2) bands but bright at 12 μm (W3) and 22 μm (W4), are extremely rare, with only ∼1000 so-called 'W1W2-dropouts' across the extragalactic sky. Optical spectroscopy reveals typical redshifts of z ∼ 2 for this population, implying rest-frame mid-IR luminosities of νL {sub ν}(6 μm) ∼ 6 × 10{sup 46} erg s{sup –1} and bolometric luminosities that can exceed L {sub bol} ∼ 10{sup 14} L {sub ☉}. The corresponding intrinsic, unobscured hard X-ray luminosities are L(2-10 keV) ∼ 4 × 10{sup 45} erg s{sup –1} for typical quasar templates. These are among the most AGNs known, though the optical spectra rarely show evidence of a broad-line region and the selection criteria imply heavy obscuration even at rest-frame 1.5 μm. We designed our X-ray observations to obtain robust detections for gas column densities N {sub H} ≤ 10{sup 24} cm{sup –2}. In fact, the sources prove to be fainter than these predictions. Two of the sources were observed by both NuSTAR and XMM-Newton, with neither being detected by NuSTAR (f {sub 3-24} {sub keV} ≲ 10{sup –13} erg cm{sup –2} s{sup –1}), and one being faintly detected by XMM-Newton (f {sub 0.5-10} {sub keV} ∼ 5 × 10{sup –15} erg cm{sup –2} s{sup –1}). A third source was observed only with XMM-Newton, yielding a faint detection (f {sub 0.5-10} {sub keV} ∼ 7 × 10{sup –15} erg cm{sup –2} s{sup –1}). The X-ray data imply these sources are either X-ray weak, or are heavily obscured by column densities N {sub H} ≳ 10{sup 24} cm{sup –2}. The combined X-ray and mid-IR analysis seems to favor this second possibility, implying the sources are extremely obscured, consistent with Compton

  10. NuSTAR and XMM-Newton observations of luminous, heavily obscured, WISE-selected quasars at z ∼ 2

    International Nuclear Information System (INIS)

    Stern, D.; Eisenhardt, P. R. M.; Lansbury, G. B.; Alexander, D. M.; Del Moro, A.; Gandhi, P.; Assef, R. J.; Brandt, W. N.; Griffith, R. L.; Ballantyne, D. R.; Baloković, M.; Bridge, C.; Bauer, F. E.; Benford, D.; Blain, A.; Boggs, S. E.; Craig, W. W.; Brightman, M.; Christensen, F. E.; Comastri, A.

    2014-01-01

    We report on a NuSTAR and XMM-Newton program that has observed a sample of three extremely luminous, heavily obscured WISE-selected active galactic nuclei (AGNs) at z ∼ 2 across a broad X-ray band (0.1 – 79 keV). The parent sample, selected to be faint or undetected in the WISE 3.4 μm (W1) and 4.6 μm (W2) bands but bright at 12 μm (W3) and 22 μm (W4), are extremely rare, with only ∼1000 so-called 'W1W2-dropouts' across the extragalactic sky. Optical spectroscopy reveals typical redshifts of z ∼ 2 for this population, implying rest-frame mid-IR luminosities of νL ν (6 μm) ∼ 6 × 10 46 erg s –1 and bolometric luminosities that can exceed L bol ∼ 10 14 L ☉ . The corresponding intrinsic, unobscured hard X-ray luminosities are L(2-10 keV) ∼ 4 × 10 45 erg s –1 for typical quasar templates. These are among the most AGNs known, though the optical spectra rarely show evidence of a broad-line region and the selection criteria imply heavy obscuration even at rest-frame 1.5 μm. We designed our X-ray observations to obtain robust detections for gas column densities N H ≤ 10 24 cm –2 . In fact, the sources prove to be fainter than these predictions. Two of the sources were observed by both NuSTAR and XMM-Newton, with neither being detected by NuSTAR (f 3-24 keV ≲ 10 –13 erg cm –2 s –1 ), and one being faintly detected by XMM-Newton (f 0.5-10 keV ∼ 5 × 10 –15 erg cm –2 s –1 ). A third source was observed only with XMM-Newton, yielding a faint detection (f 0.5-10 keV ∼ 7 × 10 –15 erg cm –2 s –1 ). The X-ray data imply these sources are either X-ray weak, or are heavily obscured by column densities N H ≳ 10 24 cm –2 . The combined X-ray and mid-IR analysis seems to favor this second possibility, implying the sources are extremely obscured, consistent with Compton-thick, luminous quasars. The discovery of a significant population of heavily obscured, extremely luminous AGNs would not conform to the standard

  11. Theoretical study using electronic structure calculations of uranium and cerium dioxides containing defects and impurities

    International Nuclear Information System (INIS)

    Shi, Lei

    2016-01-01

    Uranium dioxide (UO_2) is the most widely used nuclear fuel in existing nuclear reactors around the world. While in service for energy supply, UO_2 is submitted to the neutron flux and undergoes nuclear fission chain reactions, which create large number of fission products and point defects. The study of the behavior of the fission products and point defects is important to understand the fuel properties under irradiation. We conduct electronic structure calculations based on the density functional theory (DFT) to model this radiation damage at the atomic scale. The DFT+U method is used to describe the strong correlation of the 4f electrons of cerium and 5f electrons of uranium in the materials studied (UO_2, CeO_2 and (U, Ce)O_2). (U, Ce)O_2 is studied because it is considered as a low radioactive model material of mixed actinide oxides such as the MOX fuel (U, Pu)O_2 used in light water reactors and fast neutron reactors. Cerium dioxide (CeO_2) is studied to provide reference data of (U, Ce)O_2. We perform a DFT+U study of point defects and gaseous fission products (Xe and Kr) in CeO_2 and compare our results to the existing ones of UO_2. We study the bulk properties as well as the behavior of defects for (U, Ce)O_2, and compare our results to the ones of (U, Pu)O_2. Furthermore, for the study of defects in UO_2, methodological improvements are explored considering the spin-orbit coupling effect and the finite-size effect of the simulation supercell. (author) [fr

  12. DUST PROPERTIES OF LOCAL DUST-OBSCURED GALAXIES WITH THE SUBMILLIMETER ARRAY

    International Nuclear Information System (INIS)

    Hwang, Ho Seong; Andrews, Sean M.; Geller, Margaret J.

    2013-01-01

    We report Submillimeter Array observations of the 880 μm dust continuum emission for four dust-obscured galaxies (DOGs) in the local universe. Two DOGs are clearly detected with S ν (880 μm) =10-13 mJy and S/N > 5, but the other two are not detected with 3σ upper limits of S ν (880 μm) =5-9 mJy. Including an additional two local DOGs with submillimeter data from the literature, we determine the dust masses and temperatures for six local DOGs. The infrared luminosities and dust masses for these DOGs are in the ranges of 1.2-4.9 × 10 11 (L ☉ ) and 4-14 × 10 7 (M ☉ ), respectively. The dust temperatures derived from a two-component modified blackbody function are 23-26 K and 60-124 K for the cold and warm dust components, respectively. Comparison of local DOGs with other infrared luminous galaxies with submillimeter detections shows that the dust temperatures and masses do not differ significantly among these objects. Thus, as argued previously, local DOGs are not a distinctive population among dusty galaxies, but simply represent the high-end tail of the dust obscuration distribution

  13. Hydrogen trapping by VC precipitates and structural defects in a high strength Fe–Mn–C steel studied by small-angle neutron scattering

    International Nuclear Information System (INIS)

    Malard, B.; Remy, B.; Scott, C.; Deschamps, A.; Chêne, J.; Dieudonné, T.; Mathon, M.H.

    2012-01-01

    Highlights: ► SANS was used to study the interaction between H and a Fe–Mn–C steel containing V. ► No interaction between H and V in solid solution has been detected. ► A reversible interaction between H and structural defects has been measured. ► 5 ppm wt. of H can be trapped in the VC nanoprecipitates. - Abstract: The trapping of hydrogen by VC precipitates and structural defects in high strength Fe–Mn–C steel was studied by small angle neutron scattering. No interaction between H and V in solid solution has been detected but a significant interaction between H and structural defects introduced by plastic deformation has been measured. This last effect was reversible upon outgassing of the H. Moreover a significant interaction between H and VC precipitates has been measured; 5 ppm wt. of H could be trapped in the precipitates. This is consistent with the homogeneous trapping of H within the precipitates rather than at the precipitate/matrix interface.

  14. Evolution of MBE HgCdTe defect structure studied with ion milling method

    Directory of Open Access Journals (Sweden)

    Pociask-Bialy Malgorzata

    2017-01-01

    Full Text Available In this paper, is shown how ion milling can assist in assessing the defect structure of MCT by revealing the residual doping, and establishing the minimum level of donor concentration Nmd, which is needed for obtaining n-regions with a reproducible n value. For this purpose, a study of the electrical properties of ion-milled LWIR n-type MCT films, un-doped and doped with indium with the concentration NIn = 5 × 1014–1017 cm−3 is proposed.

  15. Technical Feasibility Study of an Effective Low-Toxicity Obscurant Material

    Science.gov (United States)

    2012-08-01

    chloride based obscurant composition 11EM0745 p. 20 Figure 4.15 The variable electric current source and the resistance wire (Nickel- Chrome , 0.2...type of magnesium powder under the name AZ91D was obtained from Metal Powder Technology Ltd, from the UK and is free from hexavalent chromium. 6...The test samples (F), are ignited by a resistance wire (Nickel- Chrome , 0.2 mm diameter from British Driver Harris, UK). This wire is heated by

  16. Recurrent Obscure Gastrointestinal Bleeding: Dilemmas and Success with Pharmacological Therapies. Case Series and Review

    Directory of Open Access Journals (Sweden)

    Majid Almadi

    2009-01-01

    Full Text Available The present article describes three difficult cases of recurrent bleeding from obscure causes, followed by a review of the pitfalls and pharmacological management of obscure gastrointestinal bleeding. All three patients underwent multiple investigations. An intervening complicating diagnosis or antiplatelet drugs may have compounded long-term bleeding in two of the cases. A bleeding angiodysplasia was confirmed in one case but was aggravated by the need for anticoagulation. After multiple transfusions and several attempts at endoscopic management in some cases, long-acting octreotide was associated with decreased transfusion requirements and increased hemoglobin levels in all three cases, although other factors may have contributed in some. In the third case, however, the addition of low-dose thalidomide stopped bleeding for a period of at least 23 months.

  17. Nanoscale characterization of local structures and defects in photonic crystals using synchrotron-based transmission soft X-ray microscopy

    Science.gov (United States)

    Nho, Hyun Woo; Kalegowda, Yogesh; Shin, Hyun-Joon; Yoon, Tae Hyun

    2016-01-01

    For the structural characterization of the polystyrene (PS)-based photonic crystals (PCs), fast and direct imaging capabilities of full field transmission X-ray microscopy (TXM) were demonstrated at soft X-ray energy. PS-based PCs were prepared on an O2-plasma treated Si3N4 window and their local structures and defects were investigated using this label-free TXM technique with an image acquisition speed of ~10 sec/frame and marginal radiation damage. Micro-domains of face-centered cubic (FCC (111)) and hexagonal close-packed (HCP (0001)) structures were dominantly found in PS-based PCs, while point and line defects, FCC (100), and 12-fold symmetry structures were also identified as minor components. Additionally, in situ observation capability for hydrated samples and 3D tomographic reconstruction of TXM images were also demonstrated. This soft X-ray full field TXM technique with faster image acquisition speed, in situ observation, and 3D tomography capability can be complementally used with the other X-ray microscopic techniques (i.e., scanning transmission X-ray microscopy, STXM) as well as conventional characterization methods (e.g., electron microscopic and optical/fluorescence microscopic techniques) for clearer structure identification of self-assembled PCs and better understanding of the relationship between their structures and resultant optical properties. PMID:27087141

  18. Defect and structural imperfection effects on the electronic properties of BiTeI surfaces

    International Nuclear Information System (INIS)

    Fiedler, Sebastian; Seibel, Christoph; Lutz, Peter; Bentmann, Hendrik; Reinert, Friedrich; El-Kareh, Lydia; Bode, Matthias; Eremeev, Sergey V; Tereshchenko, Oleg E; Kokh, Konstantin A; Chulkov, Evgueni V; Kuznetsova, Tatyana V; Grebennikov, Vladimir I

    2014-01-01

    The surface electronic structure of the narrow-gap seminconductor BiTeI exhibits a large Rashba-splitting which strongly depends on the surface termination. Here we report on a detailed investigation of the surface morphology and electronic properties of cleaved BiTeI single crystals by scanning tunneling microscopy, photoelectron spectroscopy (ARPES, XPS), electron diffraction (SPA-LEED) and density functional theory calculations. Our measurements confirm a previously reported coexistence of Te- and I-terminated surface areas originating from bulk stacking faults and find a characteristic length scale of ∼100 nm for these areas. We show that the two terminations exhibit distinct types of atomic defects in the surface and subsurface layers. For electronic states resided on the I terminations we observe an energy shift depending on the time after cleavage. This aging effect is successfully mimicked by depositon of Cs adatoms found to accumulate on top of the I terminations. As shown theoretically on a microscopic scale, this preferential adsorbing behaviour results from considerably different energetics and surface diffusion lengths at the two terminations. Our investigations provide insight into the importance of structural imperfections as well as intrinsic and extrinsic defects on the electronic properties of BiTeI surfaces and their temporal stability. (paper)

  19. 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)

  20. Computer simulation and implementation of defected ground structure on a microstrip antenna

    Science.gov (United States)

    Adrian, H.; Rambe, A. H.; Suherman

    2018-03-01

    Defected Ground Structure (DGS) is a method reducing etching area on antenna ground to form desirable antenna’s ground field. This paper reports the method impact on microstrip antennas working on 1800 and 2400 MHz. These frequencies are important as many radio network applications such mobile phones and wireless devices working on these channels. The assessments were performed by simulating and fabricating the evaluated antennas. Both simulation data and implementation measurements show that DGS successfully improves antenna performances by increasing bandwidth up to 19%, reducing return loss up to 109% and increasing gain up to 33%.

  1. Stochastic annealing simulations of defect interactions among subcascades

    Energy Technology Data Exchange (ETDEWEB)

    Heinisch, H.L. [Pacific Northwest National Lab., Richland, WA (United States); Singh, B.N.

    1997-04-01

    The effects of the subcascade structure of high energy cascades on the temperature dependencies of annihilation, clustering and free defect production are investigated. The subcascade structure is simulated by closely spaced groups of lower energy MD cascades. The simulation results illustrate the strong influence of the defect configuration existing in the primary damage state on subsequent intracascade evolution. Other significant factors affecting the evolution of the defect distribution are the large differences in mobility and stability of vacancy and interstitial defects and the rapid one-dimensional diffusion of small, glissile interstitial loops produced directly in cascades. Annealing simulations are also performed on high-energy, subcascade-producing cascades generated with the binary collision approximation and calibrated to MD results.

  2. Left-right correlation in coupled F-center defects.

    Science.gov (United States)

    Janesko, Benjamin G

    2016-08-07

    This work explores how left-right correlation, a textbook problem in electronic structure theory, manifests in a textbook example of electrons trapped in crystal defects. I show that adjacent F-center defects in lithium fluoride display symptoms of "strong" left-right correlation, symptoms similar to those seen in stretched H2. Simulations of UV/visible absorption spectra qualitatively fail to reproduce experiment unless left-right correlation is taken into account. This is of interest to both the electronic structure theory and crystal-defect communities. Theorists have a new well-behaved system to test their methods. Crystal-defect groups are cautioned that the approximations that successfully model single F-centers may fail for adjacent F-centers.

  3. Left-right correlation in coupled F-center defects

    International Nuclear Information System (INIS)

    Janesko, Benjamin G.

    2016-01-01

    This work explores how left-right correlation, a textbook problem in electronic structure theory, manifests in a textbook example of electrons trapped in crystal defects. I show that adjacent F-center defects in lithium fluoride display symptoms of “strong” left-right correlation, symptoms similar to those seen in stretched H 2 . Simulations of UV/visible absorption spectra qualitatively fail to reproduce experiment unless left-right correlation is taken into account. This is of interest to both the electronic structure theory and crystal-defect communities. Theorists have a new well-behaved system to test their methods. Crystal-defect groups are cautioned that the approximations that successfully model single F-centers may fail for adjacent F-centers.

  4. Norwegian Pitched Roof Defects

    Directory of Open Access Journals (Sweden)

    Lars Gullbrekken

    2016-06-01

    Full Text Available The building constructions investigated in this work are pitched wooden roofs with exterior vertical drainpipes and wooden load-bearing system. The aim of this research is to further investigate the building defects of pitched wooden roofs and obtain an overview of typical roof defects. The work involves an analysis of the building defect archive from the research institute SINTEF Building and Infrastructure. The findings from the SINTEF archive show that moisture is a dominant exposure factor, especially in roof constructions. In pitched wooden roofs, more than half of the defects are caused by deficiencies in design, materials, or workmanship, where these deficiencies allow moisture from precipitation or indoor moisture into the structure. Hence, it is important to increase the focus on robust and durable solutions to avoid defects both from exterior and interior moisture sources in pitched wooden roofs. Proper design of interior ventilation and vapour retarders seem to be the main ways to control entry from interior moisture sources into attic and roof spaces.

  5. Cooperative RNP assembly: Complementary rescue of structural defects by protein and RNA subunits of archaeal RNase P

    Science.gov (United States)

    Chen, Wen-Yi; Xu, Yiren; Cho, I-Ming; Oruganti, Sri Vidya; Foster, Mark P.; Gopalan, Venkat

    2011-01-01

    RNase P is a ribonucleoprotein (RNP) complex that utilizes a Mg2+-dependent RNA catalyst to cleave the 5′-leader of precursor tRNAs (pre-tRNAs) and generate mature tRNAs. The bacterial RNase P protein (RPP) aids RNase P RNA (RPR) catalysis by promoting substrate binding, Mg2+ coordination, and product release. Archaeal RNase P comprises an RPR and at least four RPPs, which have eukaryal homologs and function as two binary complexes (POP5•RPP30 and RPP21•RPP29). In this study, we employed a previously characterized substrate-enzyme conjugate [pre-tRNATyr-Methanocaldococcus jannaschii (Mja) RPR] to investigate the functional role of a universally conserved uridine in a bulge-helix structure in archaeal RPRs. Deletion of this bulged uridine resulted in an 80-fold decrease in the self-cleavage rate of pre-tRNATyr-MjaΔU RPR compared to the wildtype, and this defect was partially ameliorated upon addition of either RPP pair. The catalytic defect in the archaeal mutant RPR mirrors that reported in a bacterial RPR and highlights a parallel in their active sites. Furthermore, an N-terminal deletion mutant of Pyrococcus furiosus (Pfu) RPP29 that is defective in assembling with its binary partner RPP21, as assessed by isothermal titration calorimetry and NMR spectroscopy, is functional when reconstituted with the cognate Pfu RPR. Collectively, these results indicate that archaeal RPPs are able to compensate for structural defects in their cognate RPR and vice-versa, and provide striking examples of the cooperative subunit interactions critical for driving archaeal RNase P towards its functional conformation. (236 words) PMID:21683084

  6. Influence of Structural Defects on Biomineralized ZnS Nanoparticle Dissolution: An In-Situ Electron Microscopy Study

    Energy Technology Data Exchange (ETDEWEB)

    Eskelsen, Jeremy R. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Environmental Sciences Division; Xu, Jie [Univ. of Texas, El Paso, TX (United States). Geological Sciences; Chiu, Michelle Y. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Environmental Sciences Division; Moon, Ji-Won [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Biosciences Division; Wilkins, Branford O. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Environmental Sciences Division; Graham, David E. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Biosciences Division; Gu, Baohua [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Environmental Sciences Division; Pierce, Eric M. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Environmental Sciences Division

    2017-12-19

    The dissolution of metal sulfides, such as ZnS, plays an important role in the fate of metal contaminants in the environment. Here we have examined the dissolution behavior of ZnS nanoparticles synthesized via several abiotic and biological pathways. Specifically, the biogenic ZnS nanoparticles were produced by an anaerobic, metal-reducing bacterium Thermoanaerobacter sp. X513 in a Zn-amended, thiosulfate-containing growth medium, whereas the abiogenic ZnS nanoparticles were produced by mixing an aqueous Zn solution with either H2S-rich gas or Na2S solution. For biogenic synthesis, we prepared two types of samples, in the presence or absence of trace silver (Ag). The size distribution, crystal structure, aggregation behavior, and internal defects of the synthesized ZnS nanoparticles were primarily examined using high-resolution transmission electron microscopy coupled with X-ray energy dispersive spectroscopy. The characterization results show that both the biogenic and abiogenic samples were dominantly composed of sphalerite. In the absence of Ag, the biogenic ZnS nanoparticles were significantly larger (i.e., ~10 nm) than the abiogenic ones (i.e., ~3–5 nm) and contained structural defects (e.g., twins and stacking faults). The presence of trace Ag showed a restraining effect on the particle size of the biogenic ZnS, resulting in quantum-dot-sized nanoparticles (i.e., ~3 nm). In situ dissolution experiments for the synthesized ZnS were conducted with a liquid-cell coupled to a transmission electron microscope (LCTEM), and the primary factors (i.e., the presence or absence structural defects) were evaluated for their effects on the dissolution behavior using the biogenic and abiogenic ZnS nanoparticle samples with the largest average particle size. Analysis of the dissolution results (i.e., change in particle radius with time) using the Kelvin equation shows that the defect-bearing biogenic ZnS nanoparticles (γ = 0.799 J/m2) have

  7. Phosphorous–vacancy–oxygen defects in silicon

    KAUST Repository

    Wang, Hao

    2013-07-30

    Electronic structure calculations employing the hybrid functional approach are used to gain fundamental insight in the interaction of phosphorous with oxygen interstitials and vacancies in silicon. It recently has been proposed, based on a binding energy analysis, that phosphorous–vacancy–oxygen defects may form. In the present study we investigate the stability of this defect as a function of the Fermi energy for the possible charge states. Spin polarization is found to be essential for the charge neutral defect.

  8. Lithium niobate. Defects, photorefraction and ferroelectric switching

    Energy Technology Data Exchange (ETDEWEB)

    Volk, Tatyana [Russian Academy of Sciences, Inst. for Crystallography, Moscow (Russian Federation); Woehlecke, Manfred [Osnabrueck Univ. (Germany). Fachbereich Physik

    2008-07-01

    The book presents the current state of studies of point defects, both intrinsic and extrinsic (impurities, radiation centers, etc.), in LiNbO{sub 3}. The contribution of intrinsic defects to photoinduced charge transport, i.e. to the photorefraction, is explained. The photorefractive and optical properties of LiNbO{sub 3} crystals with different stoichiometry and of those doped with so-called ''optical-damage resistant'' impurities controlling the intrinsic defect structure are described in detail. Applications included are to the problem of non-erasable recording of photorefractive holograms in LiNbO{sub 3} and the current situation of studies in the ferroelectric switching and domain structure of LiNbO{sub 3}, as well as the creation of periodically-poled structures for the optical frequency conversion. (orig.)

  9. Security without obscurity a guide to confidentiality, authentication, and integrity

    CERN Document Server

    Stapleton, JJ

    2014-01-01

    The traditional view of information security includes the three cornerstones: confidentiality, integrity, and availability; however the author asserts authentication is the third keystone. As the field continues to grow in complexity, novices and professionals need a reliable reference that clearly outlines the essentials. Security without Obscurity: A Guide to Confidentiality, Authentication, and Integrity fills this need. Rather than focusing on compliance or policies and procedures, this book takes a top-down approach. It shares the author's knowledge, insights, and observations about infor

  10. Vacancy-type defects in Al2O3/GaN structure probed by monoenergetic positron beams

    Science.gov (United States)

    Uedono, Akira; Nabatame, Toshihide; Egger, Werner; Koschine, Tönjes; Hugenschmidt, Christoph; Dickmann, Marcel; Sumiya, Masatomo; Ishibashi, Shoji

    2018-04-01

    Defects in the Al2O3(25 nm)/GaN structure were probed by using monoenergetic positron beams. Al2O3 films were deposited on GaN by atomic layer deposition at 300 °C. Temperature treatment above 800 °C leads to the introduction of vacancy-type defects in GaN due to outdiffusion of atoms from GaN into Al2O3. The width of the damaged region was determined to be 40-50 nm from the Al2O3/GaN interface, and some of the vacancies were identified to act as electron trapping centers. In the Al2O3 film before and after annealing treatment at 300-900 °C, open spaces with three different sizes were found to coexist. The density of medium-sized open spaces started to decrease above 800 °C, which was associated with the interaction between GaN and Al2O3. Effects of the electron trapping/detrapping processes of interface states on the flat band voltage and the defects in GaN were also discussed.

  11. Structural and defects induced phenomena in γ-rays irradiated 6H-SiC

    International Nuclear Information System (INIS)

    Sibuyi, P.; Ngom, B.D.; Kotsedi, L.

    2016-01-01

    Damages and/or defects induced by γ-rays irradiation on 6H-SiC single crystals in channeled configuration towards 〈006〉/〈0012〉 crystallographic directions are reported in the range of 0–1200 kGy. Atomic force microscopy, X-rays diffraction, Raman and photoluminescence investigations were used to obtain a comprehensive set of informations on the nature and population distribution of the induced defects. Primarily, there was no carbon clusterization upon γ-rays irradiation and hence no formation of others SiC polytypes. In contrast, the γ-rays irradiation has induced an increase of the surface roughness at higher doses, which indicates a structural degradation. Larger doses induced an emergence of deeper shallow traps at energies greater than 350 meV below the bandgap. - Highlights: • No formation of others SiC polytypes. • The gamma rays irradiation has induced a slight surface amorphization. • A re-crystallization at lower and higher doses is noticed. • Larger doses induced a substantial internal stress.

  12. Defect properties from X-ray scattering experiments

    International Nuclear Information System (INIS)

    Peisl, H.

    1976-01-01

    Lattice distortions due to defects in crystals can be studied most directly by elastic X-ray or neutron scattering experiments. The 'size' of the defects can be determined from the shift of the Bragg reflections. Defect induced diffuse scattering intensity close to and between Bragg reflections gives information on the strength and symmetry of the distortion fields and yields the atomic structure of point defects (interstitials, vacancies, small aggregates). Diffuse scattering is a very sensitive method to decide whether defects are present as isolated point defects or have formed aggregates. X-ray scattering has been used to study defects produced in various ionic crystals by γ- and neutron irradiation. After an introduction to the principles of the method the experimental results will be reviewed and discussed in some detail. (orig.) [de

  13. Lattice vibrations and thermal properties of carbon nitride with defect ZnS structure from first-principles calculations

    NARCIS (Netherlands)

    Fang, C.M.; Wijs, G.A. de

    2004-01-01

    The phonon spectrum Of C3N4 with defect zincblende-type structure (deltaC(3)N(4)) was calculated by density functional theory (DFT) techniques. The results permit an assessment of important mechanical and thermodynamical properties such as the bulk modulus, lattice specific heat, vibration energy,

  14. Influence of irradiation on defects creation in pin diode structure

    International Nuclear Information System (INIS)

    Sopko, V.; Dammer, J.; Sopko, B.; Chren, D.

    2012-01-01

    In this paper the manufacture of type S1 PIN diodes and radiation defect induce by fast neutrons were studied. A shift from VV"- to VV (neutral) is observed in neutron irradiated diodes. From the results obtained, an explanation that clearly offers itself is that the nature of the defects produced by irradiation of material exhibiting N type conductivity is different from those for type P material. Given that the experiments were conducted with the same material, i.e., the dopant present in the material remained unchanged, it can be stated that simply by changing the type of conductivity with increasing dose, a different kind of defects is produced, having different activation energies in the forbidden band. All these results are consistent with the ongoing RD 50 experiments at CERN.

  15. Conference Analysis Report of Assessments on Defect and Damage for a High Temperature Structure

    International Nuclear Information System (INIS)

    Lee, Hyeong Yeon

    2008-11-01

    This report presents the analysis on the state-of-the-art research trends on creep-fatigue damage, defect assessment of high temperature structure, development of heat resistant materials and their behavior at high temperature based on the papers presented in the two international conferences of ASME PVP 2008 which was held in Chicago in July 2008 and CF-5(5th International Conference on Creep, Fatigue and Creep-Fatigue) which was held in Kalpakkam, India in September 2008

  16. Conference Analysis Report of Assessments on Defect and Damage for a High Temperature Structure

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Hyeong Yeon

    2008-11-15

    This report presents the analysis on the state-of-the-art research trends on creep-fatigue damage, defect assessment of high temperature structure, development of heat resistant materials and their behavior at high temperature based on the papers presented in the two international conferences of ASME PVP 2008 which was held in Chicago in July 2008 and CF-5(5th International Conference on Creep, Fatigue and Creep-Fatigue) which was held in Kalpakkam, India in September 2008.

  17. Tuning the band structure of graphene nanoribbons through defect-interaction-driven edge patterning

    Science.gov (United States)

    Du, Lin; Nguyen, Tam N.; Gilman, Ari; Muniz, André R.; Maroudas, Dimitrios

    2017-12-01

    We report a systematic analysis of pore-edge interactions in graphene nanoribbons (GNRs) and their outcomes based on first-principles calculations and classical molecular-dynamics simulations. We find a strong attractive interaction between nanopores and GNR edges that drives the pores to migrate toward and coalesce with the GNR edges, which can be exploited to form GNR edge patterns that impact the GNR electronic band structure and tune the GNR band gap. Our analysis introduces a viable physical processing strategy for modifying GNR properties by combining defect engineering and thermal annealing.

  18. DUST PROPERTIES OF LOCAL DUST-OBSCURED GALAXIES WITH THE SUBMILLIMETER ARRAY

    Energy Technology Data Exchange (ETDEWEB)

    Hwang, Ho Seong; Andrews, Sean M.; Geller, Margaret J., E-mail: hhwang@cfa.harvard.edu, E-mail: sandrews@cfa.harvard.edu, E-mail: mgeller@cfa.harvard.edu [Smithsonian Astrophysical Observatory, 60 Garden Street, Cambridge, MA 02138 (United States)

    2013-11-01

    We report Submillimeter Array observations of the 880 μm dust continuum emission for four dust-obscured galaxies (DOGs) in the local universe. Two DOGs are clearly detected with S{sub ν}(880 μm) =10-13 mJy and S/N > 5, but the other two are not detected with 3σ upper limits of S{sub ν}(880 μm) =5-9 mJy. Including an additional two local DOGs with submillimeter data from the literature, we determine the dust masses and temperatures for six local DOGs. The infrared luminosities and dust masses for these DOGs are in the ranges of 1.2-4.9 × 10{sup 11}(L{sub ☉}) and 4-14 × 10{sup 7}(M{sub ☉}), respectively. The dust temperatures derived from a two-component modified blackbody function are 23-26 K and 60-124 K for the cold and warm dust components, respectively. Comparison of local DOGs with other infrared luminous galaxies with submillimeter detections shows that the dust temperatures and masses do not differ significantly among these objects. Thus, as argued previously, local DOGs are not a distinctive population among dusty galaxies, but simply represent the high-end tail of the dust obscuration distribution.

  19. 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.

  20. Dipolar and quadrupolar defects in a transport line

    International Nuclear Information System (INIS)

    Leleux, G.; Nghiem, P.

    1991-01-01

    The defects on a transport line of linear accelerator are studied. A transport line where the elements are influenced by the design or position defects is analyzed. Only dipolar and quadrupolar defects are considered, and the coupling betwen transversal motions are excluded. The data from the literature and those calculated by transfer matrices are compared. The defects on a line are considered from an analytical point of view. Closed optical structures are also studied [fr

  1. Large scale obscuration and related climate effects open literature bibliography

    Energy Technology Data Exchange (ETDEWEB)

    Russell, N.A.; Geitgey, J.; Behl, Y.K.; Zak, B.D.

    1994-05-01

    Large scale obscuration and related climate effects of nuclear detonations first became a matter of concern in connection with the so-called ``Nuclear Winter Controversy`` in the early 1980`s. Since then, the world has changed. Nevertheless, concern remains about the atmospheric effects of nuclear detonations, but the source of concern has shifted. Now it focuses less on global, and more on regional effects and their resulting impacts on the performance of electro-optical and other defense-related systems. This bibliography reflects the modified interest.

  2. Large scale obscuration and related climate effects open literature bibliography

    International Nuclear Information System (INIS)

    Russell, N.A.; Geitgey, J.; Behl, Y.K.; Zak, B.D.

    1994-05-01

    Large scale obscuration and related climate effects of nuclear detonations first became a matter of concern in connection with the so-called ''Nuclear Winter Controversy'' in the early 1980's. Since then, the world has changed. Nevertheless, concern remains about the atmospheric effects of nuclear detonations, but the source of concern has shifted. Now it focuses less on global, and more on regional effects and their resulting impacts on the performance of electro-optical and other defense-related systems. This bibliography reflects the modified interest

  3. BDA: A novel method for identifying defects in body-centered cubic crystals.

    Science.gov (United States)

    Möller, Johannes J; Bitzek, Erik

    2016-01-01

    The accurate and fast identification of crystallographic defects plays a key role for the analysis of atomistic simulation output data. For face-centered cubic (fcc) metals, most existing structure analysis tools allow for the direct distinction of common defects, such as stacking faults or certain low-index surfaces. For body-centered cubic (bcc) metals, on the other hand, a robust way to identify such defects is currently not easily available. We therefore introduce a new method for analyzing atomistic configurations of bcc metals, the BCC Defect Analysis (BDA). It uses existing structure analysis algorithms and combines their results to uniquely distinguish between typical defects in bcc metals. In essence, the BDA method offers the following features:•Identification of typical defect structures in bcc metals.•Reduction of erroneously identified defects by iterative comparison to the defects in the atom's neighborhood.•Availability as ready-to-use Python script for the widespread visualization tool OVITO [http://ovito.org].

  4. Thermophysical spectroscopy of defect states in silicon

    International Nuclear Information System (INIS)

    Igamberdyev, Kh.T.; Mamadalimov, A.T.; Khabibullaev, P.K.

    1989-01-01

    The present work deals with analyzing the possibilities of using the non-traditional thermophysical methods to study a defect structure in silicon. For this purpose, the temperature dependences of thermophysical properties of defect silicon are investigated. A number of new, earlier unknown physical phenomena in silicon are obtained, and their interpretation has enabled one to establish the main physical mechanisms of formation of deep defect states in silicon

  5. The NuSTAR Serendipitous Survey: Hunting for the Most Extreme Obscured AGN at >10 keV

    Science.gov (United States)

    Lansbury, G. B.; Alexander, D. M.; Aird, J.; Gandhi, P.; Stern, D.; Koss, M.; Lamperti, I.; Ajello, M.; Annuar, A.; Assef, R. J.; Ballantyne, D. R.; Baloković, M.; Bauer, F. E.; Brandt, W. N.; Brightman, M.; Chen, C.-T. J.; Civano, F.; Comastri, A.; Del Moro, A.; Fuentes, C.; Harrison, F. A.; Marchesi, S.; Masini, A.; Mullaney, J. R.; Ricci, C.; Saez, C.; Tomsick, J. A.; Treister, E.; Walton, D. J.; Zappacosta, L.

    2017-09-01

    We identify sources with extremely hard X-ray spectra (I.e., with photon indices of {{Γ }}≲ 0.6) in the 13 deg2 NuSTAR serendipitous survey, to search for the most highly obscured active galactic nuclei (AGNs) detected at > 10 {keV}. Eight extreme NuSTAR sources are identified, and we use the NuSTAR data in combination with lower-energy X-ray observations (from Chandra, Swift XRT, and XMM-Newton) to characterize the broadband (0.5-24 keV) X-ray spectra. We find that all of the extreme sources are highly obscured AGNs, including three robust Compton-thick (CT; {N}{{H}}> 1.5× {10}24 cm-2) AGNs at low redshift (z< 0.1) and a likely CT AGN at higher redshift (z = 0.16). Most of the extreme sources would not have been identified as highly obscured based on the low-energy (< 10 keV) X-ray coverage alone. The multiwavelength properties (e.g., optical spectra and X-ray-mid-IR luminosity ratios) provide further support for the eight sources being significantly obscured. Correcting for absorption, the intrinsic rest-frame 10-40 keV luminosities of the extreme sources cover a broad range, from ≈ 5× {10}42 to 1045 erg s-1. The estimated number counts of CT AGNs in the NuSTAR serendipitous survey are in broad agreement with model expectations based on previous X-ray surveys, except for the lowest redshifts (z< 0.07), where we measure a high CT fraction of {f}{CT}{obs}={30}-12+16 % . For the small sample of CT AGNs, we find a high fraction of galaxy major mergers (50% ± 33%) compared to control samples of “normal” AGNs.

  6. A Compact Narrow-Band Bandstop Filter Using Spiral-Shaped Defected Microstrip Structure

    Directory of Open Access Journals (Sweden)

    J. Wang

    2014-04-01

    Full Text Available A novel compact narrow-band bandstop filter is implemented by using the proposed spiral-shaped defected microstrip structure (SDMS in this paper. Compared with other DMSs, the presented SDMS exhibits the advantage of compact size and narrow stopband. Meanwhile, an approximate design rule of the SDMS is achieved and the effects of the dimensions on the resonant frequency and 3 dB fractional bandwidth (FBW are analyzed in detail. Both the simulation and measurement results of the fabricated bandstop filter show that it has a 10 dB stopband from 3.4 GHz to 3.6 GHz with more than 45 dB rejection at the center frequency.

  7. EVIDENCE FOR A WIDE RANGE OF ULTRAVIOLET OBSCURATION IN z {approx} 2 DUSTY GALAXIES FROM THE GOODS-HERSCHEL SURVEY

    Energy Technology Data Exchange (ETDEWEB)

    Penner, Kyle [Department of Astronomy, University of Arizona, Tucson, AZ 85721 (United States); Dickinson, Mark; Dey, Arjun; Kartaltepe, Jeyhan [National Optical Astronomy Observatory, Tucson, AZ 85719 (United States); Pope, Alexandra [Department of Astronomy, University of Massachusetts, Amherst, MA 01003 (United States); Magnelli, Benjamin [Max Planck Institut fuer Extraterrestrische Physik, Postfach 1312, D-85741 Garching (Germany); Pannella, Maurilio; Aussel, Herve; Daddi, Emanuele; Elbaz, David [Laboratoire AIM Paris-Saclay, CEA/DSM/Irfu-CNRS-Universite Paris Diderot, CEA-Saclay, pt courrier 131, F-91191 Gif-sur-Yvette (France); Altieri, Bruno; Coia, Daniela [Herschel Science Center, European Space Astronomy Center, Villanueva de la Canada, E-28691 Madrid (Spain); Buat, Veronique [Laboratoire d' Astrophysique de Marseille, OAMP, Universite Aix-marseille, CNRS, 38 rue Frederic Joliot-Curie, F-13388 Marseille Cedex 13 (France); Bussmann, Shane; Hwang, Ho Seong [Harvard-Smithsonian Center for Astrophysics, Cambridge, MA 02138 (United States); Charmandaris, Vassilis [Department of Physics and Institute of Theoretical and Computational Physics, University of Crete, GR-71003 Heraklion (Greece); Dannerbauer, Helmut [Institut fuer Astronomie, Universitaet Wien, Tuerkenschanzstrasse 17, A-1180 Vienna (Austria); Lin Lihwai [Institute of Astronomy and Astrophysics, Academia Sinica, Taipei 106, Taiwan (China); Magdis, Georgios [Department of Physics, University of Oxford, Keble Road, Oxford OX1 3RH (United Kingdom); Morrison, Glenn, E-mail: kpenner@as.arizona.edu [Institute for Astronomy, University of Hawaii, Honolulu, HI 96822 (United States); and others

    2012-11-01

    Dusty galaxies at z {approx} 2 span a wide range of relative brightness between rest-frame mid-infrared (8 {mu}m) and ultraviolet wavelengths. We attempt to determine the physical mechanism responsible for this diversity. Dust-obscured galaxies (DOGs), which have rest-frame mid-IR to UV flux density ratios {approx}> 1000, might be abnormally bright in the mid-IR, perhaps due to prominent emission from active galactic nuclei and/or polycyclic aromatic hydrocarbons, or abnormally faint in the UV. We use far-infrared data from the GOODS-Herschel survey to show that most DOGs with 10{sup 12} L {sub Sun} {approx}< L {sub IR} {approx}< 10{sup 13} L {sub Sun} are not abnormally bright in the mid-IR when compared to other dusty galaxies with similar IR (8-1000 {mu}m) luminosities. We observe a relation between the median IR to UV luminosity ratios and the median UV continuum power-law indices for these galaxies, and we find that only 24% have specific star formation rates that indicate the dominance of compact star-forming regions. This circumstantial evidence supports the idea that the UV- and IR-emitting regions in these galaxies are spatially coincident, which implies a connection between the abnormal UV faintness of DOGs and dust obscuration. We conclude that the range in rest-frame mid-IR to UV flux density ratios spanned by dusty galaxies at z {approx} 2 is due to differing amounts of UV obscuration. Of galaxies with these IR luminosities, DOGs are the most obscured. We attribute differences in UV obscuration to either (1) differences in the degree of alignment between the spatial distributions of dust and massive stars or (2) differences in the total dust content.

  8. Evaluation of the effect of corrosion defects on the structural integrity of X52 gas pipelines using the SINTAP procedure and notch theory

    International Nuclear Information System (INIS)

    Adib, H.; Jallouf, S.; Schmitt, C.; Carmasol, A.; Pluvinage, G.

    2007-01-01

    The notch stress intensity factor concept and the structural integrity assessment procedure for European industry (SINTAP) structural integrity procedure are used to assess gas pipeline integrity using deterministic and probabilistic methods. These pipes have external longitudinal semi-elliptical corrosion defects. Stress concentration at a defect tip is investigated via elastic-plastic finite element method analysis. The notch stress intensity concept is implemented into the SINTAP procedure and a notch-based failure assessment diagram is proposed. The safety factor and security factor are calculated through the SINTAP basic level

  9. Evaluation of the effect of corrosion defects on the structural integrity of X52 gas pipelines using the SINTAP procedure and notch theory

    Energy Technology Data Exchange (ETDEWEB)

    Adib, H. [ENIM, Laboratoire de Fiabilite Mecanique (LFM) Ile du Saulcy, 57045 Metz Cedex (France); Jallouf, S. [ENIM, Laboratoire de Fiabilite Mecanique (LFM) Ile du Saulcy, 57045 Metz Cedex (France); Schmitt, C. [ENIM, Laboratoire de Fiabilite Mecanique (LFM) Ile du Saulcy, 57045 Metz Cedex (France)]. E-mail: schmitt@enim.fr; Carmasol, A. [ENIM, Laboratoire de Fiabilite Mecanique (LFM) Ile du Saulcy, 57045 Metz Cedex (France); Pluvinage, G. [ENIM, Laboratoire de Fiabilite Mecanique (LFM) Ile du Saulcy, 57045 Metz Cedex (France)

    2007-03-15

    The notch stress intensity factor concept and the structural integrity assessment procedure for European industry (SINTAP) structural integrity procedure are used to assess gas pipeline integrity using deterministic and probabilistic methods. These pipes have external longitudinal semi-elliptical corrosion defects. Stress concentration at a defect tip is investigated via elastic-plastic finite element method analysis. The notch stress intensity concept is implemented into the SINTAP procedure and a notch-based failure assessment diagram is proposed. The safety factor and security factor are calculated through the SINTAP basic level.

  10. Binding energetics of substitutional and interstitial helium and di-helium defects with grain boundary structure in α-Fe

    International Nuclear Information System (INIS)

    Tschopp, M. A.; Gao, F.; Yang, L.; Solanki, K. N.

    2014-01-01

    The formation/binding energetics and length scales associated with the interaction between He atoms and grain boundaries in BCC α-Fe were explored. Ten different low Σ grain boundaries from the 〈100〉 and 〈110〉 symmetric tilt grain boundary systems were used. In this work, we then calculated formation/binding energies for 1–2 He atoms in the substitutional and interstitial sites (HeV, He 2 V, HeInt, He 2 Int) at all potential grain boundary sites within 15 Å of the boundary (52 826 simulations total). The present results provide detailed information about the interaction energies and length scales of 1–2 He atoms with grain boundaries for the structures examined. A number of interesting new findings emerge from the present study. For instance, the Σ3(112) twin boundary in BCC Fe possesses a much smaller binding energy than other boundaries, which corresponds in long time dynamics simulations to the ability of an interstitial He defect to break away from the boundary in simulations on the order of nanoseconds. Additionally, positive correlations between the calculated formation/binding energies of the He defects (R > 0.9) asserts that the local environment surrounding each site strongly influences the He defect energies and that highly accurate quantum mechanics calculations of lower order defects may be an adequate predictor of higher order defects. Various metrics to quantify or classify the local environment were compared with the He defect binding energies. The present work shows that the binding and formation energies for He defects are important for understanding the physics of He diffusion and trapping by grain boundaries, which can be important for modeling He interactions in polycrystalline steels

  11. Binding energetics of substitutional and interstitial helium and di-helium defects with grain boundary structure in α-Fe

    Energy Technology Data Exchange (ETDEWEB)

    Tschopp, M. A., E-mail: mark.tschopp@gatech.edu [Dynamic Research Corporation, (on site at) U.S. Army Research Laboratory, Aberdeen Proving Ground, Maryland 21005 (United States); Center for Advanced Vehicular Systems, Mississippi State University, Starkville, Mississippi 39762 (United States); Gao, F.; Yang, L. [Pacific Northwest National Laboratory, Richland, Washington 99352 (United States); Solanki, K. N. [Arizona State University, School for Engineering of Matter, Transport and Energy, Tempe, Arizona 85287 (United States)

    2014-01-21

    The formation/binding energetics and length scales associated with the interaction between He atoms and grain boundaries in BCC α-Fe were explored. Ten different low Σ grain boundaries from the 〈100〉 and 〈110〉 symmetric tilt grain boundary systems were used. In this work, we then calculated formation/binding energies for 1–2 He atoms in the substitutional and interstitial sites (HeV, He{sub 2}V, HeInt, He{sub 2}Int) at all potential grain boundary sites within 15 Å of the boundary (52 826 simulations total). The present results provide detailed information about the interaction energies and length scales of 1–2 He atoms with grain boundaries for the structures examined. A number of interesting new findings emerge from the present study. For instance, the Σ3(112) twin boundary in BCC Fe possesses a much smaller binding energy than other boundaries, which corresponds in long time dynamics simulations to the ability of an interstitial He defect to break away from the boundary in simulations on the order of nanoseconds. Additionally, positive correlations between the calculated formation/binding energies of the He defects (R > 0.9) asserts that the local environment surrounding each site strongly influences the He defect energies and that highly accurate quantum mechanics calculations of lower order defects may be an adequate predictor of higher order defects. Various metrics to quantify or classify the local environment were compared with the He defect binding energies. The present work shows that the binding and formation energies for He defects are important for understanding the physics of He diffusion and trapping by grain boundaries, which can be important for modeling He interactions in polycrystalline steels.

  12. Full transmission modes and steady states in defect gratings,

    NARCIS (Netherlands)

    van Groesen, Embrecht W.C.; Sopaheluwakan, A.; Andonowati, A.; de Ridder, R.M; Altena, G; Geuzebroek, D.H.; Dekker, R

    2003-01-01

    For a symmetric grating structure with a defect, we show that a fully transmitted defect mode in the band gap can be obtained as a superposition of two steady states: an amplified and an attenuated defect state. Without scanning the whole band gap by transmission calculations, this simplifies the

  13. MILLIMETER OBSERVATIONS OF A SAMPLE OF HIGH-REDSHIFT OBSCURED QUASARS

    International Nuclear Information System (INIS)

    Martinez-Sansigre, Alejo; Karim, Alexander; Schinnerer, Eva

    2009-01-01

    We present observations at 1.2 mm with Max-Planck Millimetre Bolometer Array (MAMBO-II) of a sample of z ∼> 2 radio-intermediate obscured quasars, as well as CO observations of two sources with the Plateau de Bure Interferometer. The typical rms noise achieved by the MAMBO observations is 0.55 mJy beam -1 and five out of 21 sources (24%) are detected at a significance of ≥3σ. Stacking all sources leads to a statistical detection of (S 1.2mm ) = 0.96 ± 0.11 mJy and stacking only the non-detections also yields a statistical detection, with (S 1.2mm ) = 0.51 ± 0.13 mJy. At the typical redshift of the sample, z = 2, 1 mJy corresponds to a far-infrared luminosity L FIR ∼4 x 10 12 L sun . If the far-infrared luminosity is powered entirely by star formation, and not by active galactic nucleus heated dust, then the characteristic inferred star formation rate is ∼700 M sun yr -1 . This far-infrared luminosity implies a dust mass of M d ∼3 x 10 8 M sun , which is expected to be distributed on ∼kpc scales. We estimate that such large dust masses on kpc scales can plausibly cause the obscuration of the quasars. Combining our observations at 1.2 mm with mid- and far-infrared data, and additional observations for two objects at 350 μm using SHARC-II, we present dust spectral energy distributions (SEDs) for our sample and derive a mean SED for our sample. This mean SED is not well fitted by clumpy torus models, unless additional extinction and far-infrared re-emission due to cool dust are included. This additional extinction can be consistently achieved by the mass of cool dust responsible for the far-infrared emission, provided the bulk of the dust is within a radius ∼2-3 kpc. Comparison of our sample to other samples of z ∼ 2 quasars suggests that obscured quasars have, on average, higher far-infrared luminosities than unobscured quasars. There is a hint that the host galaxies of obscured quasars must have higher cool-dust masses and are therefore often

  14. Repairing Nanoparticle Surface Defects.

    Science.gov (United States)

    Marino, Emanuele; Kodger, Thomas E; Crisp, Ryan W; Timmerman, Dolf; MacArthur, Katherine E; Heggen, Marc; Schall, Peter

    2017-10-23

    Solar devices based on semiconductor nanoparticles require the use of conductive ligands; however, replacing the native, insulating ligands with conductive metal chalcogenide complexes introduces structural defects within the crystalline nanostructure that act as traps for charge carriers. We utilized atomically thin semiconductor nanoplatelets as a convenient platform for studying, both microscopically and spectroscopically, the development of defects during ligand exchange with the conductive ligands Na 4 SnS 4 and (NH 4 ) 4 Sn 2 S 6 . These defects can be repaired via mild chemical or thermal routes, through the addition of L-type ligands or wet annealing, respectively. This results in a higher-quality, conductive, colloidally stable nanomaterial that may be used as the active film in optoelectronic devices. © 2017 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

  15. Local structure and defect chemistry of [(SnSe)1.15]m(TaSe2) ferecrystals – A new type of layered intergrowth compound

    International Nuclear Information System (INIS)

    Grosse, Corinna; Atkins, Ryan; Kirmse, Holm; Mogilatenko, Anna; Neumann, Wolfgang; Johnson, David C.

    2013-01-01

    Highlights: •The crystal structure of [(SnSe) 1.15 ] m (TaSe 2 ) ferecrystals was analyzed by TEM. •The layers exhibit turbostratic disorder, but we also observed a local ordering. •The structures of the SnSe and TaSe 2 layers are similar to binary SnSe and 2H-TaSe 2 . •An increasing in-plane SnSe grain size with increasing m was observed. •Defect areas with missing, substituted or additional layers were found. -- Abstract: The atomic structure of the family of ferecrystals [(SnSe) 1.15 ] m (TaSe 2 ) (m = 1, 3, and 6) was investigated by means of transmission electron microscopy. The tantalum in the TaSe 2 layers was observed to have trigonal prismatic coordination similar to that found in the 2H polytype of bulk TaSe 2 . The structure of the SnSe constituent was found to be similar to that of orthorhombic α-SnSe. In the compounds with m = 1 and m = 3, regions with a local ordering of the layers along a commensurate axis, similar to the ordering in conventional misfit layer compounds, were observed. However, on a longer range the ferecrystals were found to exhibit a turbostratically disordered structure. Stacking defects were occasionally found in the samples in which a layer is interrupted and the surrounding layers are bent around these defects, while maintaining abrupt interfaces instead of interdiffusing. Volume defects were found in one sample of [(SnSe) 1.15 ] 1 (TaSe 2 ) 1 in which a SnSe layer locally substitutes a part of a TaSe 2 layer without interrupting the surrounding layers

  16. Guided Bone Regeneration in Long-Bone Defects with a Structural Hydroxyapatite Graft and Collagen Membrane

    Science.gov (United States)

    2013-01-01

    Original Articles Guided Bone Regeneration in Long-Bone Defects with a Structural Hydroxyapatite Graft and Collagen Membrane Teja Guda, PhD,1,2 John...Joint Surg Br 90-B, 1617, 2008. 6. Carlo Reis, E.C., Borges AaPB, Araujo, M.V.F., Mendes, V.C., Guan, L., and Davies, J.E. Periodontal regeneration...Regeneration of periodontal tissues: combinations of barrier membranes and grafting materials–biological foundation and preclinical evi- dence: a

  17. Relations between anisotropic defects, structural evolution, and van der Waals bonding in 2H-NbSe2

    International Nuclear Information System (INIS)

    Gavarri, J.R.; Mokrani, R.; Boulesteix, C.; Vacquier, G.

    1988-01-01

    Correlations between anisotropic defects and van der Waals interactions have been established for the layer compound 2H-NbSe 2 which is investigated by low temperature X-ray diffraction techniques. Thermal expansion coefficients and anisotropic Debye temperatures are determined. A diffraction profile analysis reveals the existence of lattice distortions independent of the temperature. They are due to layer defects. To interpret the structural evolution data, the thermal expansion functions, α a (T) and α c (T) are simulated in the low temperature range which yield the elastic constants and the Grueneisen parameters. Using bond energy models, the Van der Waals nature of interlayer Se-Se interactions is confirmed by a model of thermal expansion of bonds and connected with the C 13 component of the elastic tensor. Such interactions can explain the presence of some layer defects that can be 4H-NbSe 2 nuclei in the 2H host lattice. In addition, no strong change in the Grueneisen parameters is clearly shown to occur at the 35 K transition of 2H-NbSe 2 . (author)

  18. Structural defects and epitaxial rotation of C-60 and C-70(111) films on GeS(001)

    DEFF Research Database (Denmark)

    Bernaerts, D.; Van Tendeloo, G.; Amelinckx, S.

    1996-01-01

    A transmission electron microscopy study of epitaxial C60 and C70 films grown on a GeS (001) surface is presented. The relationship between the orientation of the substrate and the films and structural defects in the films, such as grain boundaries, unknown in bulk C60 and C70 crystals, are studied...

  19. Structural Defects in Polyallylcarbosilane Dendrimers and Their PolyolDerivatives Characterized by NMR and MALDI-TOF Mass Spectrometry

    Czech Academy of Sciences Publication Activity Database

    Krupková, Alena; Čermák, Jan; Walterová, Zuzana; Horský, Jiří

    2010-01-01

    Roč. 43, č. 10 (2010), s. 4511-4519 ISSN 0024-9297 R&D Projects: GA MŠk(CZ) LC06070 Institutional research plan: CEZ:AV0Z40720504; CEZ:AV0Z40500505 Keywords : carbosilane dendrimer s * maldi-tof ms * structural defects Subject RIV: CC - Organic Chemistry Impact factor: 4.838, year: 2010

  20. Morphology, deformation, and defect structures of TiCr2 in Ti-Cr alloys

    International Nuclear Information System (INIS)

    Chen, K.C.; Allen, S.M.; Livingston, J.D.

    1992-01-01

    The morphologies and defect structures of TiCr 2 in several Ti-Cr alloys have been examined by optical metallography, x-ray diffraction, and transmission electron microscopy (TEM), in order to explore the room-temperature deformability of the Laves phase TiCr 2 . The morphology of the Laves phase was found to be dependent upon alloy composition and annealing temperature. Samples deformed by compression have also been studied using TEM. Comparisons of microstructures before and after deformation suggest an increase in twin, stacking fault, and dislocation density within the Laves phase, indicating some but not extensive room-temperature deformability

  1. 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.

  2. 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.

  3. 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.

  4. Atomic structure of surface defects in alumina studied by dynamic force microscopy: strain-relief-, translation- and reflection-related boundaries, including their junctions

    International Nuclear Information System (INIS)

    Simon, G H; König, T; Heinke, L; Lichtenstein, L; Heyde, M; Freund, H-J

    2011-01-01

    We present an extensive atomic resolution frequency modulation dynamic force microscopy study of ultrathin aluminium oxide on a single crystalline NiAl(110) surface. One-dimensional surface defects produced by domain boundaries have been resolved. Images are presented for reflection domain boundaries (RDBs), four different types of antiphase domain boundaries, a nucleation-related translation domain boundary and also domain boundary junctions. New structures and aspects of the boundaries and their network are revealed and merged into a comprehensive picture of the defect arrangements. The alumina film also covers the substrate completely at the boundaries and their junctions and follows the structural building principles found in its unit cell. This encompasses square and rectangular groups of surface oxygen sites. The observed structural elements can be related to the electronic signature of the boundaries and therefore to the electronic defects associated with the boundaries. A coincidence site lattice predicted for the RDBs is in good agreement with experimental data. With Σ = 19 it can be considered to be of low-sigma type, which frequently coincides with special boundary properties. Images of asymmetric RDBs show points of good contact alternating with regions of nearly amorphous disorder in the oxygen sublattice. (paper)

  5. Effect of thermal treatment on the density of radiation-induced defects in dielectrics and on the semiconductor surface of silicon MDS structures

    International Nuclear Information System (INIS)

    Daliev, Kh.S.; Lebedev, A.A.; Ehkke, V.; 3425000DD)

    1987-01-01

    Isochronous annealing of radiation defects formed under MIS structure irradiation by γ-quanta at the presence of shift stress on a metal electrode is studied. Complex measurements of non-stationary capacitance spectroscopy and volt-farad characteristics (VFC) have shown that a built-in charge and volumetric states (VS) of the dielectric are annealed at 250 deg C, fast surface states (SS) - at 350 deg C, and the characteristic radiation defect in the Si-SiO 2 transition layer is completely annealed only at 400 deg C. Additional VS and SS occurring in the structures at positive shift on the metal electrode under radiation are annealed at 120 deg C, the kinetics of defect annealing at higher temperatures is independent from shift polarity. SS density calculated by VFC is determined in reality by recharging not only SS but some VS of the dielectric in the range of width of the order of 3.5 nm from the surface of the semiconductor

  6. 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.

  7. 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.

  8. 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)

  9. Gamma-induced defect production in ZrO2-Y2O3 crystals with different defectiveness

    International Nuclear Information System (INIS)

    Ashurov, M.Kh.; Amonov, M.Z.; Rakov, A.F.

    2002-01-01

    Full text: The defectiveness degree of ZrO 2 -Y 2 O 3 crystals depends on stabilizer concentration. The work is aimed at study gamma-induced defect production in crystals with different concentration of stabilizer and defects generated by neutron irradiation. Absorption spectra were measured with Specord M-40. It was found, that after gamma-irradiation of as-grown crystals up to some dose the intensity of absorption band at 420 nm reaches the maximum level of saturation. The dose of saturation depends of the concentration of stabilizer. It means that gamma-radiation does not produce any additional defects of structure. The oxygen vacancies existing in as-grown crystals are filled by the radiation induced electrons. Since the number of oxygen vacancies depends on the stabilizer concentration, then all these vacancies can be occupied by electrons at different gamma-doses. In crystals pre-irradiated with different neutron fluences followed by gamma-irradiation, the intensity of absorption bands at 420 and 530 nm increases in two stages. The gamma-dose of the second stage beginning decreases as the neutron fluence grows. The first stage of the absorption increase is due to developing of vacancies existing in as-grown crystals. The second stage is caused by generation of additional vacancies as the result of non-radiative exciton decay near the existing structure damages. The decrease of the gamma-dose, when the second stage of vacancy accumulation begins, results from the neutron induced structure damage degree

  10. Excess Oxygen Defects in Layered Cuprates

    Science.gov (United States)

    Lightfoot, P.; Pei, S. Y.; Jorgensen, J. D.; Manthiram, A.; Tang, X. X.; Goodenough, J. B.

    1990-09-01

    Neutron powder diffraction has been used to study the oxygen defect chemistry of two non-superconducting layered cuprates, La{sub 1. 25}Dy{sub 0.75}Cu{sub 3.75}F{sub 0.5}, having a T{sup {asterisk}}- related structure, and La{sub 1.85}Sr{sub 1.15}Cu{sub 2}O{sub 6.25}, having a structure related to that of the newly discovered double-layer superconductor La{sub 2-x}Sr{sub x}CaCu{sub 2}O{sub 6}. The role played by oxygen defects in determining the superconducting properties of layered cuprates is discussed.

  11. A Compact Wideband Dual-Polarized Antenna with Harmonic Suppression Using Nonuniform Defected Ground Structure

    Directory of Open Access Journals (Sweden)

    Lana Damaj

    2015-01-01

    Full Text Available A wideband dual-polarized coplanar waveguide (CPW fed antenna integrating a wide stop-band filter is presented. The designed filter is based on a nonuniform defected ground structure (DGS in order to obtain a wide stop-band and a compact size. This filter is used to reject harmonics and spurious radiation arising from the RF front end. The complete structure (antenna and filter has been optimized to have a compact size of 0.6×0.6λ02 (λ0 being the free-space wavelength at the lowest operating frequency. The realized antenna operates in the frequency range between 2.7 GHz and 5.9 GHz (bandwidth of about 74%. The isolation between feeding ports is more than 18 dB. The complete structure has a wide stop-band characteristic (103% for harmonic rejection. The simulated numerical results have been confirmed with measurements.

  12. Microdrilled cartilage defects treated with thrombin-solidified chitosan/blood implant regenerate a more hyaline, stable, and structurally integrated osteochondral unit compared to drilled controls.

    Science.gov (United States)

    Marchand, Catherine; Chen, Gaoping; Tran-Khanh, Nicolas; Sun, Jun; Chen, Hongmei; Buschmann, Michael D; Hoemann, Caroline D

    2012-03-01

    This study analyzed the long-term cartilage and subchondral bone repair of microdrilled defects treated with chitosan glycerol-phosphate/blood implant, using thrombin (Factor IIa) to accelerate in situ solidification. We also evaluated the cartilage repair response to six smaller microdrill holes compared with two larger holes. Bilateral knee trochlear cartilage defects were created in n=8 skeletally mature rabbits, drilled with six proximal 0.5 mm and two distal 0.9 mm holes, then covered with in situ-solidified IIa-implants (treated) or with IIa-alone (control). After 6.5 months of repair, cartilage repair tissues were analyzed by histological scoring and histomorphometry for hyaline matrix characteristics and osseous integration. Subchondral repair bone was analyzed by 3D microcomputed tomography and compared to acute defects (n=6) and intact trochlea (n=8). Implant-treated cartilage repair tissues had higher structural integrity through the entire defect (p=0.02), twofold higher percent staining for glycosaminoglycan (p=0.0004), and ~24% more collagen type II staining over the smaller drill holes (p=0.008) compared with controls. Otherwise, hole diameter had no specific effect on cartilage repair. The subchondral bone plate was partially restored in treated and control defects but less dense than intact trochlea, with evidence of incomplete regeneration of the calcified cartilage layer. More residual drill holes (p=0.054) were detected in control versus treated defects, and control defects with more than 40% residual holes presented abnormally thicker trabeculae compared with treated defects. Low osteoclast numbers after 6.5 months repair suggested that bone was no longer remodeling. The subchondral bone plate surrounding the defects exhibited a significant thickening compared with age-matched intact trochlea. These data suggest that debridement and drilling can lead to long-term subchondral bone changes outside the cartilage defect. Compared with drilled

  13. Vectors of Defects in Reinforced Concrete Structures in Onshore Oil and Gas Process Plants

    Directory of Open Access Journals (Sweden)

    Dabo Baba Hammad

    2018-01-01

    Full Text Available There is a global outcry over the speedy deterioration of structures in oil and gas facilities. While marine environment is considered the leading factor in the deterioration of offshore structures, there is no single factor considered as the main cause of the problem in onshore structures. Therefore, the aim of this paper is to present the result of global survey on the major factors causing the deterioration of concrete structures in onshore oil and gas facilities. To realize the objectives of the paper, an e-questionnaire was administered through two International LinkedIn groups with a membership mainly dominated by experts in onshore oil and gas facilities. 159 respondents completed the questionnaires, and the reliability of the responses was calculated to be 0.950 which is considered excellent. Relative importance index was used in ranking the factors, and it was observed that environmental factors ranked as the dominant factors causing the deterioration of concrete structures in onshore process plants. Another important finding in the study is the role that experience plays on the perception of experts on the causes of defects on concrete structures.

  14. 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.

  15. Tailoring defect structure and optical absorption of porous anodic aluminum oxide membranes

    International Nuclear Information System (INIS)

    Yan Hongdan; Lemmens, Peter; Wulferding, Dirk; Shi, Jianmin; Becker, Klaus Dieter; Lin, Chengtian; Lak, Aidin; Schilling, Meinhard

    2012-01-01

    Defects influence the optical and electronic properties of nanostructured materials that may be relevant for applications. In self-organized anodic aluminum oxide (AAO) templates we have investigated the effect of annealing, doping and nanoscale metal deposition. Optical absorption spectroscopy has been used as a sensitive probe for the defect density in AAO templates. The electronic spectra are found to be dominated by bands which originate from oxygen-deficient color centers (F + , F and F 2 ). In annealing studies, the integrated absorption of the bands changes non-monotonically with annealing temperature and annealing time. This demonstrates that the concentration of defects can be optimized to tailor the optical properties of the AAO. Metallic Au wires are deposited in the template to establish a plasmonic template or array. The investigations provide an interesting insight into the interplay of reactivity and diffusivity on nanoscales. - Highlights: ► Preparation of metal wire arrays in oxide templates with tailored plasmonic properties. ► Oxygen defects are characterized using optical absorption and fluorescence. ► Optical absorption spectra are assigned to energy levels of oxygen vacancies (color centers). ► Annealing and electrodeposition of Au wires minimize defects maintaining the morphology.

  16. Evaluating the performance of graphene with structural defect and functionalized by –C6H4 as an electrode active material for supercapacitors

    Directory of Open Access Journals (Sweden)

    S M Mousavi-Khoshdel

    2017-02-01

    Full Text Available In this study, quantum capacitance of graphene-based electrodes is evaluated using Density Functional Theory (DFT calculations. The obtained results showed that quantum capacitance of graphene-based supercapacitors could be significantly improved by existence of structural defects on the graphene sheets at sufficiently high concentrations because of creating impure states resulted from carbon pz orbitals involved in defect. In another section of calculations, quantum capacitance of functionalized graphene with –C6H4, is evaluated. The obtained results of calculations showed that functionalized graphene with this functional group have a very good capacitance in comparison with pristine graphene, especially at smaller voltages of less than -1.0 V or greater than 1.0 V. Hybrid configurations between structural defects and functional group of –C6H4 was also studied. In general, the results indicated that the combined configuration shows higher capacity than pristine graphene

  17. Novel tri-modal defect structure in Nb-doped MOCVD Y Ba2Cu3O7: a paradigm for pinning landscape control

    International Nuclear Information System (INIS)

    Aytug, Tolga; Zuev, Yuri; Specht, Eliot D; Parans Paranthaman, M; Maroni, Victor A; Miller, Dean J; Chen, Zhijun; Jeremy Kropf, A; Zaluzec, Nestor J

    2012-01-01

    Immobilization of vortices, or flux pinning, is both an enduring scientific issue and one of the most important problems in optimizing high temperature superconductors (HTSs) for commercial use. Here, we demonstrate a practical approach to the creation of a multi-modal flux pinning landscape in Y Ba 2 Cu 3 O 7 (YBCO) films employing an industrially scalable metal–organic chemical vapor deposition technique. Through controlled additions of Nb, we have achieved a novel distribution of crystallographic defects that immobilize (pin) vortices in the YBCO matrix. That is, with only the addition of a single dopant element, a tri-modal, non-superconducting defect structure is induced that threads through the YBCO matrix laterally (parallel to the ab planes of YBCO), vertically (parallel to the YBCO c-axis), and isotropically in the form of random spherical defects. For optimally doped samples, the influence of these multi-modal nanocrystalline defect structures on the flux pinning properties manifests itself as a significant improvement in the critical current density (J c ) for all magnetic field orientations. The results demonstrate the possibility of achieving an ideal flux pinning landscape (from an orientation and strength viewpoint), which permits the design of HTS wires with fully-tunable properties by processes suitable for large-scale manufacturing. (paper)

  18. Repairing Nanoparticle Surface Defects

    NARCIS (Netherlands)

    Marino, Emanuele; Kodger, Thomas E.; Crisp, R.W.; Timmerman, Dolf; MacArthur, Katherine E.; Heggen, Marc; Schall, Peter

    2017-01-01

    Solar devices based on semiconductor nanoparticles require the use of conductive ligands; however, replacing the native, insulating ligands with conductive metal chalcogenide complexes introduces structural defects within the crystalline nanostructure that act as traps for charge carriers. We

  19. PZT microfibre defect structure studied by Raman spectroscopy

    Czech Academy of Sciences Publication Activity Database

    Kozielski, L.; Buixaderas, Elena; Clemens, F.

    2010-01-01

    Roč. 43, č. 41 (2010), 415401/1-415401/6 ISSN 0022-3727 R&D Projects: GA ČR GAP204/10/0616 Institutional research plan: CEZ:AV0Z10100520 Keywords : point defects * phase transitions * Raman spectroscopy Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.105, year: 2010

  20. Optical defect modes in chiral liquid crystals

    International Nuclear Information System (INIS)

    Belyakov, V. A.; Semenov, S. V.

    2011-01-01

    An analytic approach to the theory of optical defect modes in chiral liquid crystals (CLCs) is developed. The analytic study is facilitated by the choice of the problem parameters. Specifically, an isotropic layer (with the dielectric susceptibility equal to the average CLC dielectric susceptibility) sandwiched between two CLC layers is studied. The chosen model allows eliminating the polarization mixing and reducing the corresponding equations to the equations for light of diffracting polarization only. The dispersion equation relating the defect mode (DM) frequency to the isotropic layer thickness and an analytic expression for the field distribution in the DM structure are obtained and the corresponding dependences are plotted for some values of the DM structure parameters. Analytic expressions for the transmission and reflection coefficients of the DM structure (CLC-defect layer-CLC) are presented and analyzed for nonabsorbing, absorbing, and amplifying CLCs. The anomalously strong light absorption effect at the DM frequency is revealed. The limit case of infinitely thick CLC layers is considered in detail. It is shown that for distributed feedback lasing in a defect structure, adjusting the lasing frequency to the DM frequency results in a significant decrease in the lasing threshold. The DM dispersion equations are solved numerically for typical values of the relevant parameters. Our approach helps clarify the physics of the optical DMs in CLCs and completely agrees with the corresponding results of the previous numerical investigations.

  1. Phononic crystals with one-dimensional defect as sensor materials

    Science.gov (United States)

    Aly, Arafa H.; Mehaney, Ahmed

    2017-09-01

    Recently, sensor technology has attracted great attention in many fields due to its importance in many engineering applications. In the present work, we introduce a study using the innovative properties of phononic crystals in enhancing a new type of sensors based on the intensity of transmitted frequencies inside the phononic band gaps. Based on the transfer matrix method and Bloch theory, the expressions of the reflection coefficient and dispersion relation are presented. Firstly, the influences of filling fraction ratio and the angle of incidence on the band gap width are discussed. Secondly, the localization of waves inside band gaps is discussed by enhancing the properties of the defected phononic crystal. Compared to the periodic structure, localization modes involved within the band structure of phononic crystals with one and two defect layers are presented and compared. Trapped localized modes can be detected easily and provide more information about defected structures. Such method could increase the knowledge of manufacturing defects by measuring the intensity of propagated waves in the resonant cavities and waveguides. Moreover, several factors enhance the role of the defect layer on the transmission properties of defected phononic crystals are presented. The acoustic band gap can be used to detect or sense the type of liquids filling the defect layer. The liquids make specific resonant modes through the phononic band gaps that related to the properties of each liquid. The frequency where the maximum resonant modes occur is correlated to material properties and allows to determine several parameters such as the type of an unknown material.

  2. Advances in defect characterizations of semiconductors using positrons

    International Nuclear Information System (INIS)

    Lynn, K.G.; Asoka-Kumar, P.

    1996-01-01

    Positron Annihilation Spectroscopy (PAS) is a sensitive probe for studying the electronic structure of defects in solids. The authors summarize recent developments in defect characterization of semiconductors using depth-resolved PAS. The progress achieved in extending the capabilities of the PAS method is also described

  3. Numerical tools for the study of defect dynamics in quasiperiodic structures

    International Nuclear Information System (INIS)

    Barak, G.; Lifshitz, R.

    2004-01-01

    Full Text:We have developed a set of numerical tools for the quantitative study of defect dynamics in quasiperiodic structures, with the intention of addressing in the near future some of the open questions regarding the dynamics of dislocations in quasicrystals. IS'e intend to apply these tools to study dislocation motion in the dynamical equation of Lifshitz and Petrich [1] whose steady-state solutions are quasiperiodic, exhibiting dodecagonal (12-fold) rotational symmetry. Here we demonstrate our ability to inject an arbitrary set of dislocations-parametrized by the homotopy group of the D-torus (here D=4)-and quantitatively follow the positions of these dislocations as the equation evolves in time. We measure dislocation velocities as a function of applied stress and shear, as well as the phonon and phason strains that accompany this motion as the system evolves in time

  4. Evolution of Defect Structures and Deep Subgap States during Annealing of Amorphous In-Ga-Zn Oxide for Thin-Film Transistors

    Science.gov (United States)

    Jia, Junjun; Suko, Ayaka; Shigesato, Yuzo; Okajima, Toshihiro; Inoue, Keiko; Hosomi, Hiroyuki

    2018-01-01

    We investigate the evolution behavior of defect structures and the subgap states in In-Ga-Zn oxide (IGZO) films with increasing postannealing temperature by means of extended x-ray absorption fine-structure (EXAFS) measurements, positron annihilation lifetime spectroscopy (PALS), and cathodoluminescence (CL) spectroscopy, aiming to understand the relationship between defect structures and subgap states. EXAFS measurements reveal the varied oxygen coordination numbers around cations during postannealing and confirm two types of point defects, namely, excess oxygen around Ga atoms and oxygen deficiency around In and/or Zn atoms. PALS suggests the existence of cation-vacancy (VM )-related clusters with neutral or negative charge in both amorphous and polycrystalline IGZO films. CL spectra show a main emission band at approximately 1.85 eV for IGZO films, and a distinct shoulder located at about 2.15 eV for IGZO films postannealed above 600 °C . These two emission bands are assigned to a recombination between the electrons in the conduction band and/or in the shallow donor levels near the conduction band and the acceptors trapped above the valence-band maximum. The shallow donors are attributed to the oxygen deficiency, and the acceptors are thought to possibly arise from the excess oxygen or the VM-related clusters. These results open up an alternative route for understanding the device instability of amorphous IGZO-based thin-film transistors, especially the presence of the neutral or negatively charged VM-related clusters in amorphous IGZO films.

  5. The Geometry of the Infrared and X-Ray Obscurer in a Dusty Hyperluminous Quasar

    DEFF Research Database (Denmark)

    Farrah, Duncan; Baloković, Mislav; Stern, Daniel

    2016-01-01

    We study the geometry of the active galactic nucleus (AGN) obscurer in IRAS 09104+4109, an IR-luminous, radio-intermediate FR-I source at z = 0.442, using infrared data from Spitzer and Herschel, X-ray data from NuSTAR, Swift, Suzaku, and Chandra, and an optical spectrum from Palomar. The infrare...

  6. Microstructural defects modeling in the Al-Mo system

    International Nuclear Information System (INIS)

    Pascuet, Maria I.; Fernandez, Julian R.; Monti, Ana M.

    2006-01-01

    In this work we have utilized computer simulation techniques to study microstructural defects, such as point defects and interfaces, in the Al-Mo alloy. Such alloy is taken as a model to study the Al(fcc)/U-Mo(bcc) interface. The EAM interatomic potential used has been fitted to the formation energy and lattice constant of the AlMo 3 intermetallic. Formation of vacancies for both components Al and Mo and anti-sites, Al Mo and Mo Al , as well as vacancy migration was studied in this structure. We found that the lowest energy defect complex that preserves stoichiometry is the antisite pair Al Mo +Mo Al , in correspondence with other intermetallics of the same structure. Our results also suggest that the structure of the Al(fcc)/Mo(bcc) interface is unstable, while that of the Al(fcc)/Al 5 Mo interface is stable, as observed experimentally. (author) [es

  7. Stability and electronic structure of iron nanoparticle anchored on defective hexagonal boron nitrogen nanosheet: A first-principle study

    International Nuclear Information System (INIS)

    Lin, Sen; Huang, Jing; Ye, Xinxin

    2014-01-01

    Highlights: • Fe 13 nanoparticle strongly interacts with the monovacancy of h-BN nanosheet. • Significant charges are transferred from Fe 13 to the defective h-BN nanosheet. • The upshift of d-band center makes the surface Fe atoms of supported Fe 13 with higher reactivity. - Abstract: By first-principle methods, we investigate the stability and electronic structures of Fe 13 nanoparticles anchored on hexagonal boron nitrogen nanosheets (h-BNNSs) with monovacancy defect sites. It is found that the defect sites such as boron and nitrogen vacancy significantly increase the adsorption energies of Fe 13 , suggesting that the supported Fe 13 nanoparticles should be very stable against sintering at high temperatures. From the calculated density of states, we testify that the strong interaction is attributed to the coupling between the 3d orbitals of Fe atoms with the sp 2 dangling bonds at the defect sites. The Bader charge and differential charge density analyses reveal that there is significant charge redistribution at the interface between Fe 13 and the substrates, leading to positive charges located on most of the Fe atoms. Additionally, our results show that the strong binding of the nanoparticle results in the upshift of d-band center of Fe 13 toward the Fermi level, thus making the surface Fe atoms with higher reactivity. This work gives a detailed understanding the interaction between Fe 13 nanoparticle and defective h-BNNS and will provide helpful instructions in the design and synthesis of supported Fe-based catalysts in heterogeneous catalysis

  8. A novel inspection system for cosmetic defects

    Science.gov (United States)

    Hazra, S.; Roy, R.; Williams, D.; Aylmore, R.; Hollingdale, D.

    2013-12-01

    The appearance of automotive skin panels creates desirability for a product and differentiates it from the competition. Because of the importance of skin panels, considerable care is taken in minimizing defects such as the 'hollow' defect that occur around door-handle depressions. However, the inspection process is manual, subjective and time-consuming. This paper describes the development of an objective and inspection scheme for the 'hollow' defect. In this inspection process, the geometry of a panel is captured using a structured lighting system. The geometry data is subsequently analyzed by a purpose-built wavelet-based algorithm to identify the location of any defects that may be present and to estimate the perceived severity of the defects without user intervention. This paper describes and critically evaluates the behavior of this physically-based algorithm on an ideal and real geometry and compares its result to an actual audit. The results show that the algorithm is capable of objectively locating and classifying 'hollow' defects in actual panels.

  9. Residual Defect Density in Random Disks Deposits.

    Science.gov (United States)

    Topic, Nikola; Pöschel, Thorsten; Gallas, Jason A C

    2015-08-03

    We investigate the residual distribution of structural defects in very tall packings of disks deposited randomly in large channels. By performing simulations involving the sedimentation of up to 50 × 10(9) particles we find all deposits to consistently show a non-zero residual density of defects obeying a characteristic power-law as a function of the channel width. This remarkable finding corrects the widespread belief that the density of defects should vanish algebraically with growing height. A non-zero residual density of defects implies a type of long-range spatial order in the packing, as opposed to only local ordering. In addition, we find deposits of particles to involve considerably less randomness than generally presumed.

  10. Charge transfer of edge states in zigzag silicene nanoribbons with Stone–Wales defects from first-principles

    Energy Technology Data Exchange (ETDEWEB)

    Ting, Xie [College of Mathematics and Statistics, Chongqing University, Chongqing 401331 (China); School of Mathematics and Statistic, Chongqing University of Technology, Chongqing 400054 (China); Rui, Wang, E-mail: rcwang@cqu.edu.cn [Institute for Structure and Function and Department of Physics, Chongqing University, Chongqing 400044 (China); State Key Laboratory of Theoretical Physics, Institute of Theoretical Physics, Chinese Academy of Science, Beijing 100190 (China); Shaofeng, Wang [Institute for Structure and Function and Department of Physics, Chongqing University, Chongqing 400044 (China); Xiaozhi, Wu, E-mail: xiaozhiwu@cqu.edu.cn [Institute for Structure and Function and Department of Physics, Chongqing University, Chongqing 400044 (China)

    2016-10-15

    Highlights: • The properties of SW defects in silicene and ZSNRs are obtained. • The SW defects at the edge of ZSNRs induce a sizable gap. • The charge transfer of edge states is resulted from SW defects in ZSNRS. - Abstract: Stone–Wales (SW) defects are favorably existed in graphene-like materials with honeycomb lattice structure and potentially employed to change the electronic properties in band engineering. In this paper, we investigate structural and electronic properties of SW defects in silicene sheet and its nanoribbons as a function of their concentration using the methods of periodic boundary conditions with first-principles calculations. We first calculate the formation energy, structural properties, and electronic band structures of SW defects in silicene sheet, with dependence on the concentration of SW defects. Our results show a good agreement with available values from the previous first-principles calculations. The energetics, structural aspects, and electronic properties of SW defects with dependence on defect concentration and location in edge-hydrogenated zigzag silicene nanoribbons are obtained. For all calculated concentrations, the SW defects prefer to locate at the edge due to the lower formation energy. The SW defects at the center of silicene nanoribbons slightly influence on the electronic properties, whereas the SW defects at the edge of silicene nanoribbons split the degenerate edge states and induce a sizable gap, which depends on the concentration of defects. It is worth to find that the SW defects produce a perturbation repulsive potential, which leads the decomposed charge of edge states at the side with defect to transfer to the other side without defect.

  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. Microvascular free flaps in the management of war wounds with tissue defects

    Directory of Open Access Journals (Sweden)

    Kozarski Jefta

    2003-01-01

    Full Text Available Background. War wounds caused by modern infantry weapons or explosive devices are very often associated with the defects of soft and bone tissue. According to their structure, tissue defects can be simple or complex. In accordance with war surgical doctrine, at the Clinic for Plastic Surgery and Burns of the Military Medical Academy, free flaps were used in the treatment of 108 patients with large tissue defects. With the aim of closing war wounds, covering deep structures, or making the preconditions for reconstruction of deep structures, free flaps were applied in primary, delayed, or secondary term. The main criteria for using free flaps were general condition of the wounded, extent, location, and structure of tissue defects. The aim was also to point out the advantages and disadvantages of the application of free flaps in the treatment of war wounds. Methods. One hundred and eleven microvascular free flaps were applied, both simple and complex, for closing the war wounds with extensive tissue defects. The main criteria for the application of free flaps were: general condition of the wounded, size, localization, and structure of tissue defects. For the extensive defects of the tissue, as well as for severely contaminated wounds latissimus dorsi free flaps were used. For tissue defects of distal parts of the lower extremities, scapular free flaps were preferred. While using free tissue transfer for recompensation of bone defects, free vascularized fibular grafts were applied, and in skin and bone defects complex free osteoseptocutaneous fibular, free osteoseptocutaneous radial forearm, and free skin-bone scapular flaps were used. Results. After free flap transfer 16 (14,4% revisions were performed, and after 8 unsuccessful revisions another free flaps were utilized in 3 (37,5% patients, and cross leg flaps in 5 (62,5% patients. Conclusion. The treatment of war wounds with large tissue defects by the application of free microvascular flaps

  14. Lattice defects in semiconducting Hg/1-x/Cd/x/Te alloys. III - Defect structure of undoped Hg0.6Cd0.4Te

    Science.gov (United States)

    Vydyanath, H. R.; Donovan, J. D.; Nelson, D. A.

    1981-01-01

    Hall effect measurements were carried out on undoped Hg0.6Cd0.4Te crystals quenched to room temperature subsequent to equilibration at temperatures varying from 450 to 720 C under various partial pressures of Hg. The variation of the hole concentration as a function of the partial pressure of Hg indicates that the native acceptor defects are doubly ionized. Native donor defects are found to be negligible in concentration and the p-type to n-type conversion is shown to be due to residual donors and not due to native donor defects. Thermodynamic constant for the incorporation of the doubly ionized native acceptor defect has been established.

  15. Spin helical states and spin transport of the line defect in silicene lattice

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Mou; Chen, Dong-Hai; Wang, Rui-Qiang [Laboratory of Quantum Engineering and Quantum Materials, School of Physics and Telecommunication Engineering, South China Normal University, Guangzhou 510006 (China); Bai, Yan-Kui, E-mail: ykbai@semi.ac.cn [College of Physical Science and Information Engineering and Hebei Advance Thin Films Laboratory, Hebei Normal University, Shijiazhuang, Hebei 050024 (China)

    2015-02-06

    We investigated the electronic structure of a silicene-like lattice with a line defect under the consideration of spin–orbit coupling. In the bulk energy gap, there are defect related bands corresponding to spin helical states localized beside the defect line: spin-up electrons flow forward on one side near the line defect and move backward on the other side, and vice versa for spin-down electrons. When the system is subjected to random distribution of spin-flipping scatterers, electrons suffer much less spin-flipped scattering when they transport along the line defect than in the bulk. An electric gate above the line defect can tune the spin-flipped transmission, which makes the line defect as a spin-controllable waveguide. - Highlights: • Band structure of silicene with a line defect. • Spin helical states around the line defect and their probability distribution features. • Spin transport along the line defect and that in the bulk silicene.

  16. Variable dust obscuration in the symbiotic Mira and very slow Nova, HM Sge

    International Nuclear Information System (INIS)

    Munari, U.; Whitelock, P.A.

    1989-01-01

    New infrared photometry is presented for the symbiotic Mira, HM Sge. Using this and published data a pulsation period of 527 day is derived. In addition to the normal pulsational modulation, the light curve for HM Sge has shown a distinct fading and reddening, starting in 1985. This is interpreted as a dust-obscuration event, and its possible association with the binary orbit is discussed. (author)

  17. Response of Soft Continuous Structures and Topological Defects to a Temperature Gradient.

    Science.gov (United States)

    Kurita, Rei; Mitsui, Shun; Tanaka, Hajime

    2017-09-08

    Thermophoresis, which is mass transport induced by a temperature gradient, has recently attracted considerable attention as a new way to transport materials. So far the study has been focused on the transport of discrete structures such as colloidal particles, proteins, and polymers in solutions. However, the response of soft continuous structures such as membranes and gels to a temperature gradient has been largely unexplored. Here we study the behavior of a lamellar phase made of stacked surfactant bilayer membranes under a temperature gradient. We find the migration of membranes towards a low-temperature region, causing the increase in the degree of membrane undulation fluctuations towards that direction. This is contrary to our intuition that the fluctuations are weaker at a lower temperature. We show that this can be explained by temperature-gradient-induced migration of membranes under the topological constraint coming from the connectivity of each membrane. We also reveal that the pattern of an edge dislocation array formed in a wedge-shaped cell can be controlled by a temperature gradient. These findings suggest that application of a temperature gradient provides a novel way to control the organization of soft continuous structures such as membranes, gels, and foams, in a manner essentially different from the other types of fields, and to manipulate topological defects.

  18. Optical properties of a defective one-dimensional photonic crystal containing graphene nanaolayers

    International Nuclear Information System (INIS)

    Entezar, S. Roshan; Saleki, Z.; Madani, A.

    2015-01-01

    The transmission properties of a defective one-dimensional photonic crystal containing graphene nanolayers have been investigated using the transfer matrix method. It is shown that two kinds of the defect modes can be found in the band gaps of the structure. One kind is the traditional defect mode which is created in the Bragg gaps of the structure and is due to the breaking of the periodicity of the dielectric lattice. The other one is created in the graphene induced band gap. Such a defect mode which we call it the graphene induced defect mode is due to the breaking of the periodicity of the graphene lattice. However, our investigations reveal that only in the case of wide defect layers one can obtain the graphene induced defect modes. The effects of many parameters such as the incident angle, the state of polarization and the chemical potential of the graphene nanolayers on the properties of the graphene induced defect modes are discussed. Moreover, the possibility of external control of the graphene induced defect modes using a gate voltage is shown.

  19. SrFe1‑xMoxO2+δ : parasitic ferromagnetism in an infinite-layer iron oxide with defect structures induced by interlayer oxygen

    Science.gov (United States)

    Guo, Jianhui; Shi, Lei; Zhao, Jiyin; Wang, Yang; Yuan, Xueyou; Li, Yang; Wu, Liang

    2018-04-01

    The recent discovered compound SrFeO2 is an infinite-layer-structure iron oxide with unusual square-planar coordination of Fe2+ ions. In this study, SrFe1‑xMoxO2+δ (x parasitic ferromagnetism of the compound and its relationship to the defect structures are investigated. It is found that substitution of high-valent Mo6+ for Fe2+ results in excess oxygen anions O2‑ inserted at the interlayer sites for charge compensation, which further causes large atomic displacements along the c-axis. Due to the robust but flexible Fe-O-Fe framework, the samples are well crystallized within the ab-plane, but are significantly poorer crystallized along the c-axis. Defect structures including local lattice distortions and edge dislocations responsible for the lowered crystallinity are observed by high resolution transmission electron microscopy. Both the magnetic measurements and electron spin resonance spectra provide the evidence of a parasitic ferromagnetism (FM). The week FM interaction originated from the imperfect antiferromagnetic (AFM) ordering could be ascribed to the introduction of uncompensated magnetic moments due to substitution of Mo6+ (S = 0) for Fe2+ (S = 2) and the canted/frustrated spins resulted from defect structures.

  20. 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

  1. Combining in situ transmission electron microscopy irradiation experiments with cluster dynamics modeling to study nanoscale defect agglomeration in structural metals

    International Nuclear Information System (INIS)

    Xu Donghua; Wirth, Brian D.; Li Meimei; Kirk, Marquis A.

    2012-01-01

    We present a combinatorial approach that integrates state-of-the-art transmission electron microscopy (TEM) in situ irradiation experiments and high-performance computing techniques to study irradiation defect dynamics in metals. Here, we have studied the evolution of visible defect clusters in nanometer-thick molybdenum foils under 1 MeV krypton ion irradiation at 80 °C through both cluster dynamics modeling and in situ TEM experiments. The experimental details are reported elsewhere; we focus here on the details of model construction and comparing the model with the experiments. The model incorporates continuous production of point defects and/or small clusters, and the accompanying interactions, which include clustering, recombination and loss to the surfaces that result from the diffusion of the mobile defects. To account for the strong surface effect in thin TEM foils, the model includes one-dimensional spatial dependence along the foil depth, and explicitly treats the surfaces as black sinks. The rich amount of data (cluster number density and size distribution at a variety of foil thickness, irradiation dose and dose rate) offered by the advanced in situ experiments has allowed close comparisons with computer modeling and permitted significant validation and optimization of the model in terms of both physical model construct (damage production mode, identities of mobile defects) and parameterization (diffusivities of mobile defects). The optimized model exhibits good qualitative and quantitative agreement with the in situ TEM experiments. The combinatorial approach is expected to bring a unique opportunity for the study of radiation damage in structural materials.

  2. Analysis of defect structures in recrystallized amorphous layers of self-ion irradiated silicon by channeling and transmission electron microscopy measurements

    International Nuclear Information System (INIS)

    Pronko, P.P.; Rechtin, M.D.; Foti, G.; Csepregi, L.; Kennedy, E.F.; Mayer, J.W.

    1976-01-01

    The dominant defect structures in these reordered layers have been identified as twins whose dimensions change in size going from the surface to the interface. A high density of clustered defects is observed near the interface and is manifested by the presence of a heavy strain contrast in the electron micrograph image. Some fine polycrystallinity is also observed in the region of the interface between the regrown layer and the substrate. The 2 MeV 4 He channeling results indicate that, in this kind of defect arrangement, the standard analysis for reducing the channeling data cannot be applied. A more direct way to examine the depth dependence of the defect distribution by channeling is to follow the change in the minimum yield as a function of layer removal. The results obtained in this way show that the number of scattering centers (N/sub D//N/sub O/) is approximately constant in the first 3000 A and increases very fast near the interface. No tail in the scattering distribution is observed to penetrate the substrate when using the stripping procedure. This agrees generally with the TEM results

  3. A large-scale molecular dynamics study of the divacancy defect in graphene

    International Nuclear Information System (INIS)

    Leyssale, Jean-Marc; Vignoles, Gerard L.

    2014-01-01

    We report on the dynamical behavior of single divacancy defects in large graphene sheets as studied by extensive classical molecular dynamics (MD) simulations at high temperatures and static calculations. In the first part of the paper, the ability of the used interatomic potential to properly render the stability and dynamics (energy barriers) of such defects is validated against electronic structure calculations from the literature. Then, results from MD simulations are presented. In agreement with recent TEM studies, some mobility is observed through a series of Stone-Wales-like bond rotations involving the 5-8-5, 555-777, and 5555-6-7777 reconstructions. Although these three structures are by far the most probable structures of the DV defect, not less than 18 other full reconstructions, including the experimentally observed 55-66-77 defect, were occasionally observed in the ∼1.5 μs of MD trajectories analyzed in this work. Most of these additional reconstructions have moderate formation energies and can be formed by a bond rotation mechanism from one of the aforementioned structures, with a lower activation energy than the one required to form a Stone-Wales defect in graphene. Therefore their future experimental observation is highly probable. The results presented here also suggest that the barrier to a conventional Stone-Wales transformation (the formation of two pentagon/heptagon pairs from four hexagons) can be significantly reduced in the vicinity of an existing defect, strengthening a recently proposed melting mechanism for graphene based on the aggregation of Stone-Wales defects. From a structural point of view, in addition to pentagons, heptagons, and octagons, these new DV reconstructions can also contain four- and nine-member rings and show a particularly large spatial extent of up to 13 rings (42 atoms) against three (14 atoms) for the original 5-8-5 defect. (authors)

  4. Ultrasonic defect characterization using parametric-manifold mapping

    Science.gov (United States)

    Velichko, A.; Bai, L.; Drinkwater, B. W.

    2017-06-01

    The aim of ultrasonic non-destructive evaluation includes the detection and characterization of defects, and an understanding of the nature of defects is essential for the assessment of structural integrity in safety critical systems. In general, the defect characterization challenge involves an estimation of defect parameters from measured data. In this paper, we explore the extent to which defects can be characterized by their ultrasonic scattering behaviour. Given a number of ultrasonic measurements, we show that characterization information can be extracted by projecting the measurement onto a parametric manifold in principal component space. We show that this manifold represents the entirety of the characterization information available from far-field harmonic ultrasound. We seek to understand the nature of this information and hence provide definitive statements on the defect characterization performance that is, in principle, extractable from typical measurement scenarios. In experiments, the characterization problem of surface-breaking cracks and the more general problem of elliptical voids are studied, and a good agreement is achieved between the actual parameter values and the characterization results. The nature of the parametric manifold enables us to explain and quantify why some defects are relatively easy to characterize, whereas others are inherently challenging.

  5. Extrusion product defects: a statistical study

    International Nuclear Information System (INIS)

    Qamar, S.Z.; Arif, A.F.M.; Sheikh, A.K.

    2003-01-01

    In any manufacturing environment, defects resulting in rework or rejection are directly related to product cost and quality, and indirectly linked with process, tooling and product design. An analysis of product defects is therefore integral to any attempt at improving productivity, efficiency and quality. Commercial aluminum extrusion is generally a hot working process and consists of a series of different but integrated operations: billet preheating and sizing, die set and container preheating, billet loading and deformation, product sizing and stretching/roll-correction, age hardening, and painting/anodizing. Product defects can be traced back to problems in billet material and preparation, die and die set design and maintenance, process variable aberrations (ram speed, extrusion pressure, container temperature, etc), and post-extrusion treatment (age hardening, painting/anodizing, etc). The current paper attempts to analyze statistically the product defects commonly encountered in a commercial hot aluminum extrusion setup. Real-world rejection data, covering a period of nine years, has been researched and collected from a local structural aluminum extrusion facility. Rejection probabilities have been calculated for all the defects studied. The nine-year rejection data have been statistically analyzed on the basis of (i) an overall breakdown of defects, (ii) year-wise rejection behavior, (iii) breakdown of defects in each of three cost centers: press, anodizing, and painting. (author)

  6. 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.

  7. Defect networks and supersymmetric loop operators

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-02-10

    We consider topological defect networks with junctions in A{sub N−1} Toda CFT and the connection to supersymmetric loop operators in N=2 theories of class S on a four-sphere. Correlation functions in the presence of topological defect networks are computed by exploiting the monodromy of conformal blocks, generalising the notion of a Verlinde operator. Concentrating on a class of topological defects in A{sub 2} Toda theory, we find that the Verlinde operators generate an algebra whose structure is determined by a set of generalised skein relations that encode the representation theory of a quantum group. In the second half of the paper, we explore the dictionary between topological defect networks and supersymmetric loop operators in the N=2{sup ∗} theory by comparing to exact localisation computations. In this context, the the generalised skein relations are related to the operator product expansion of loop operators.

  8. [Progress of Masquelet technique to repair bone defect].

    Science.gov (United States)

    Yin, Qudong; Sun, Zhenzhong; Gu, Sanjun

    2013-10-01

    To summarize the progress of Masquelet technique to repair bone defect. The recent literature concerning the application of Masquelet technique to repair bone defect was extensively reviewed and summarized. Masquelet technique involves a two-step procedure. First, bone cement is used to fill the bone defect after a thorough debridement, and an induced membrane structure surrounding the spacer formed; then the bone cement is removed after 6-8 weeks, and rich cancellous bone is implanted into the induced membrane. Massive cortical bone defect is repaired by new bone forming and consolidation. Experiments show that the induced membrane has vascular system and is also rich in vascular endothelial growth factor, transforming growth factor beta1, bone morphogenetic protein 2, and bone progenitor cells, so it has osteoinductive property; satisfactory results have been achieved in clinical application of almost all parts of defects, various types of bone defect and massive defect up to 25 cm long. Compared with other repair methods, Masquelet technique has the advantages of reliable effect, easy to operate, few complications, low requirements for recipient site, and wide application. Masquelet technique is an effective method to repair bone defect and is suitable for various types of bone defect, especially for bone defects caused by infection and tumor resection.

  9. Use of overburden rocks from open-pit coal mines and waste coals of Western Siberia for ceramic brick production with a defect-free structure

    Science.gov (United States)

    Stolboushkin, A. Yu; Ivanov, A. I.; Storozhenko, G. I.; Syromyasov, V. A.; Akst, D. V.

    2017-09-01

    The rational technology for the production of ceramic bricks with a defect-free structure from coal mining and processing wastes was developed. The results of comparison of physical and mechanical properties and the structure of ceramic bricks manufactured from overburden rocks and waste coal with traditional for semi-dry pressing mass preparation and according to the developed method are given. It was established that a homogeneous, defect-free brick texture obtained from overburden rocks of open-pit mines and waste coal improves the quality of ceramic wall materials produced by the method of compression molding by more than 1.5 times compared to the brick with a traditional mass preparation.

  10. Active and passive infrared thermography applied to the detection and characterization of hidden defects in structure

    Science.gov (United States)

    Dumoulin, Jean

    2013-04-01

    Infrared thermography for Non Destructive Testing (NDT) has encountered a wide spreading this last 2 decades, in particular thanks to emergence on the market of low cost uncooled infrared camera. So, infrared thermography is not anymore a measurement technique limited to laboratory application. It has been more and more involved in civil engineering and cultural heritage applications, but also in many other domains, as indicated by numerous papers in the literature. Nevertheless, laboratory, measurements are done as much as possible in quite ideal conditions (good atmosphere conditions, known properties of materials, etc.), while measurement on real site requires to consider the influence of not controlled environmental parameters and additional unknown thermal properties. So, dedicated protocol and additional sensors are required for measurement data correction. Furthermore, thermal excitation is required to enhance the signature of defects in materials. Post-processing of data requires to take into account the protocol used for the thermal excitation and sometimes its nature to avoid false detection. This analysis step is based on signal and image processing tool and allows to carry out the detection. Characterization of anomalies detected at the previous step can be done by additional signal processing in particular for manufactured objects. The use of thermal modelling and inverse method allows to determine properties of the defective area. The present paper will first address a review of some protocols currently in use for field measurement with passive and/or active infrared measurements. Illustrations in various experiments carried out on civil engineering structure will be shown and discussed. In a second part, different post-processing approaches will be presented and discussed. In particular, a review of the most standard processing methods like Fast Fourier Analysis, Principal Components Analysis, Polynomial Decomposition, defect characterization using

  11. Electronic and atomic structure of complex defects in Al- and Ga-highly doped ZnO films

    Energy Technology Data Exchange (ETDEWEB)

    Menéndez-Proupin, Eduardo [Instituto de Energía Solar, Universidad Politécnica de Madrid (UPM), Ciudad Universitaria, 28040 Madrid (Spain); Departamento de Física, Facultad de Ciencias, Universidad de Chile, Las Palmeras 3425, 780-0003 Ñuñoa, Santiago (Chile); Palacios, Pablo, E-mail: pablo.palacios@upm.es [Instituto de Energía Solar, Universidad Politécnica de Madrid (UPM), Ciudad Universitaria, 28040 Madrid (Spain); Dpt. FAIAN, E.T.S.I. Aeronáutica y del Espacio, UPM, Pz. Cardenal Cisneros 3, 28040 Madrid (Spain); Wahnón, Perla [Instituto de Energía Solar, Universidad Politécnica de Madrid (UPM), Ciudad Universitaria, 28040 Madrid (Spain); Dpt. TFO, E.T.S.I. Telecomunicación, UPM, Ciudad Universitaria, 28040 Madrid (Spain)

    2015-06-15

    Point defects in Ga- and Al-doped ZnO thin films are studied by means of first principles electronic structure calculations. Candidate defects are identified to explain recently observed differences in electrical and spectroscopic behavior of both systems. Substitutional doping in Ga–ZnO explain the metallic behavior of the electrical properties. Complexes of interstitial oxygen with substitutional Ga can behave as acceptor and cause partial compensation, as well as gap states below the conduction band minimum as observed in photoemission experiments. Zn vacancies can also act as compensating acceptors. On the other hand, the semiconducting behavior of Al–ZnO and the small variation in the optical gap compared with pure ZnO, can be explained by almost complete compensation between acceptor Zn vacancies and substitutional Al donors. Interstitial Al can also be donor levels and can be the origin of the small band observed in photoemission experiments below the Fermi level. Combinations of substitutional Al with interstitial oxygen can act simultaneously as compensating acceptor and generator of the mentioned photoemission band. The theoretical calculations have been done using density functional theory (DFT) within the generalized gradient approximation with on-site Coulomb interaction. In selected cases, DFT calculations with semilocal-exact exchange hybrid functionals have been performed. Results explain photoelectron spectra of Ga–ZnO and Al–ZnO at the corresponding doping levels. - Highlights: • Defects in Ga- and Al-heavy-doped ZnO films are studied by quantum calculations. • Defects compatible with electrical, optical, and HAXPES spectra are proposed. • Doping efficiency is reduced by Zn vacancies and O interstitials. • HAXPES bands near the Fermi level are induced by Al{sub i}, and complexes Ga{sub Zn}-O{sub i}, and Al{sub Zn}-O{sub i}.

  12. Electrically active defects in solar grade multicrystalline silicon

    DEFF Research Database (Denmark)

    Dahl, Espen

    2013-01-01

    Shortage in high purity silicon feedstock, as a result of the formidable increased demand for solar cell devices during the last two decades, can be mitigated by the introduction of cheaper feedstock of solar grade (So-G) quality. Silicon produced through the metallurgical process route has shown...... the potential to be such a feedstock. However, this feedstock has only few years of active commercial history and the detailed understanding of the nature of structural defects in this material still has fundamental shortcomings. In this thesis the electrical activity of structural defects, commonly associated...

  13. Optical coherence tomography use in the diagnosis of enamel defects

    Science.gov (United States)

    Al-Azri, Khalifa; Melita, Lucia N.; Strange, Adam P.; Festy, Frederic; Al-Jawad, Maisoon; Cook, Richard; Parekh, Susan; Bozec, Laurent

    2016-03-01

    Molar incisor hypomineralization (MIH) affects the permanent incisors and molars, whose undermineralized matrix is evidenced by lesions ranging from white to yellow/brown opacities to crumbling enamel lesions incapable of withstanding normal occlusal forces and function. Diagnosing the condition involves clinical and radiographic examination of these teeth, with known limitations in determining the depth extent of the enamel defects in particular. Optical coherence tomography (OCT) is an emerging hard and soft tissue imaging technique, which was investigated as a new potential diagnostic method in dentistry. A comparison between the diagnostic potential of the conventional methods and OCT was conducted. Compared to conventional imaging methods, OCT gave more information on the structure of the enamel defects as well as the depth extent of the defects into the enamel structure. Different types of enamel defects were compared, each type presenting a unique identifiable pattern when imaged using OCT. Additionally, advanced methods of OCT image analysis including backscattered light intensity profile analysis and enface reconstruction were performed. Both methods confirmed the potential of OCT in enamel defects diagnosis. In conclusion, OCT imaging enabled the identification of the type of enamel defect and the determination of the extent of the enamel defects in MIH with the advantage of being a radiation free diagnostic technique.

  14. Vertebral defect, anal atresia, cardiac defect, tracheoesophageal fistula/esophageal atresia, renal defect, and limb defect association with Mayer-Rokitansky-Küster-Hauser syndrome in co-occurrence

    DEFF Research Database (Denmark)

    Bjørsum-Meyer, Thomas; Herlin, Morten; Qvist, Niels

    2016-01-01

    Background: The vertebral defect, anal atresia, cardiac defect, tracheoesophageal fistula/esophageal atresia, renal defect, and limb defect association and Mayer-Rokitansky-Küster-Hauser syndrome are rare conditions. We aimed to present two cases with the vertebral defect, anal atresia, cardiac...... defect, tracheoesophageal fistula/esophageal atresia, renal defect, and limb defect association and Mayer-Rokitansky-Küster-Hauser co-occurrence from our local surgical center and through a systematic literature search detect published cases. Furthermore, we aimed to collect existing knowledge...... in the embryopathogenesis and genetics in order to discuss a possible link between the vertebral defect, anal atresia, cardiac defect, tracheoesophageal fistula/esophageal atresia, renal defect, and limb defect association and Mayer-Rokitansky-Küster-Hauser syndrome. Case presentation: Our first case was a white girl...

  15. Hydrogen Passivation of Interstitial Zn Defects in Heteroepitaxial InP Cell Structures and Influence on Device Characteristics

    Science.gov (United States)

    Ringel, S. A.; Chatterjee, B.

    2004-01-01

    Hydrogen passivation of heteroepitaxial InP solar cells is of recent interest for deactivation of dislocations and other defects caused by the cell/substrate lattice mismatch that currently limit the photovoltaic performance of these devices. In this paper we present strong evidence that, in addition to direct hydrogen-dislocation interactions, hydrogen forms complexes with the high concentration of interstitial Zn defects present within the p(+) Zn-doped emitter of MOCVD-grown heteroepitaxial InP devices, resulting in a dramatic increase of the forward bias turn-on voltage by as much as 280 mV, from 680 mV to 960 mV. This shift is reproducible and thermally reversible and no such effect is observed for either n(+)p structures or homoepitaxial p(+)n structures grown under identical conditions. A combination of photoluminescence (PL), electrochemical C-V dopant profiling, SIMS and I-V measurements were performed on a set of samples having undergone a matrix of hydrogenation and post-hydrogenation annealing conditions to investigate the source of this voltage enhancement and confirm the expected role of interstitial Zn and hydrogen. A precise correlation between all measurements is demonstrated which indicates that Zn interstitials within the p(+) emitter and their interaction with hydrogen are indeed responsible for this device behavior.

  16. Critical current, pinning and resistive state of superconducting single-crystal niobium with different types of defect structure

    International Nuclear Information System (INIS)

    Sokolenko, V.I.; Starodubov, Ya.D.

    2005-01-01

    Critical current pinning and resistive state of single crystal niobium of texture orientation are studied for different structural states obtained by rolling at 20 K by 42% and polishing the surface layers. It is found that the heterogeneous structures typical of the strained sample even after its thinning down to approx 10% display a lower current-carrying capability due to an increase of the thermomagnetic instability within the fragmented structure sections in the near-surface layers. For a homogeneous defect structure of the sample core with the density of equilibrium distributed dislocations of 1.3 centre dot 10 11 cm -2 , a correlation between the normal current density and the critical current density in the resistive state is found, in agreement with the concepts of flux creep due to the scatter of local values of J c

  17. The roles of the temperature on the structural and electronic properties of deep-level V{sub As}V{sub Ga} defects in gallium arsenide

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Deming, E-mail: xautmdm@163.com; Chen, Xi; Qiao, Hongbo; Shi, Wei; Li, Enling

    2015-07-15

    Highlights: • The energy gap of the Ga{sub As}As{sub Ga}V{sub As}V{sub Ga} is 0.82 eV. • Proves that the Ga{sub As}As{sub Ga}V{sub As}V{sub Ga} belongs to EL2 deep-level defect in GaAs. • Proves that EL2 and EL6 deep-level defects can transform into each other. • Temperature has an important effect on the microstructure of deep-level defects. - Abstract: The roles of temperature on the structural and electronic properties of V{sub As}V{sub Ga} defects in gallium arsenide have been studied by using ab-initio molecular dynamic (MD) simulation. Our calculated results show that the relatively stable quaternary complex defect of Ga{sub As}As{sub Ga}V{sub As}V{sub Ga} can be converted from the V{sub As}V{sub Ga} complex clusters defect between 300 K and 1173 K; however, from 1173 K to 1373 K, the decomposition of the complex defect Ga{sub As}As{sub Ga}V{sub As}V{sub Ga} occurs, turning into a deep-level V{sub As}V{sub Ga} cluster defect and an isolated As{sub Ga} antisite defect, and relevant defect of Ga{sub As} is recovered. The properties of Ga{sub As}As{sub Ga}V{sub As}V{sub Ga} defect has been studied by first-principles calculations based on hybrid density functional theory. Our calculated results show that the Ga{sub As}As{sub Ga}V{sub As}V{sub Ga} belongs to EL2 deep-level defect in GaAs. Thus, we reveal that the temperature has an important effect on the microstructure of deep-level defects and defect energy level in gallium arsenide that EL2 and EL6 deep-level defects have a certain correlation, which means they could transform into each other. Controlling temperature in the growth process of GaAs could change the microstructure of deep-level defects and defect energy levels in gallium arsenide materials, whereby affects the electron transport properties of materials.

  18. 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.

  19. Electron transport in ethanol & methanol absorbed defected graphene

    Science.gov (United States)

    Dandeliya, Sushmita; Srivastava, Anurag

    2018-05-01

    In the present paper, the sensitivity of ethanol and methanol molecules on surface of single vacancy defected graphene has been investigated using density functional theory (DFT). The changes in structural and electronic properties before and after adsorption of ethanol and methanol were analyzed and the obtained results show high adsorption energy and charge transfer. High adsorption happens at the active site with monovacancy defect on graphene surface. Present work confirms that the defected graphene increases the surface reactivity towards ethanol and methanol molecules. The presence of molecules near the active site affects the electronic and transport properties of defected graphene which makes it a promising choice for designing methanol and ethanol sensor.

  20. Layered sphere-shaped TiO₂ capped with gold nanoparticles on structural defects and their catalysis of formaldehyde oxidation.

    Science.gov (United States)

    Ma, Chunyan; Pang, Guanglong; He, Guangzhi; Li, Yang; He, Chi; Hao, Zhengping

    2016-01-01

    We describe here a one-step method for the synthesis of Au/TiO2 nanosphere materials, which were formed by layered deposition of multiple anatase TiO2 nanosheets. The Au nanoparticles were stabilized by structural defects in each TiO2 nanosheet, including crystal steps and edges, thereby fixing the Au-TiO2 perimeter interface. Reactant transfer occurred along the gaps between these TiO2 nanosheet layers and in contact with catalytically active sites at the Au-TiO2 interface. The doped Au induced the formation of oxygen vacancies in the Au-TiO2 interface. Such vacancies are essential for generating active oxygen species (*O(-)) on the TiO2 surface and Ti(3+) ions in bulk TiO2. These ions can then form Ti(3+)-O(-)-Ti(4+) species, which are known to enhance the catalytic activity of formaldehyde (HCHO) oxidation. These studies on structural and oxygen vacancy defects in Au/TiO2 samples provide a theoretical foundation for the catalytic mechanism of HCHO oxidation on oxide-supported Au materials. Copyright © 2015. Published by Elsevier B.V.

  1. Potential implications of the helical heart in congenital heart defects.

    Science.gov (United States)

    Corno, Antonio F; Kocica, Mladen J

    2007-01-01

    The anatomic and functional observations made by Francisco Torrent-Guasp, in particular his discovery of the helical ventricular myocardial band (HVMB), have challenged what has been taught to cardiologists and cardiac surgeons over centuries. A literature debate is ongoing, with interdependent articles and comments from supporters and critics. Adequate understanding of heart structure and function is obviously indispensable for the decision-making process in congenital heart defects. The HVMB described by Torrent-Guasp and the potential impact on the understanding and treatment of congenital heart defects has been analyzed in the following settings: embryology, ventriculo-arterial discordance (transposition of great arteries), Ebstein's anomaly, pulmonary valve regurgitation after repair of tetralogy of Fallot, Ross operation, and other congenital heart defects. The common structural spiral feature is only one of the elements responsible for the functional interaction of right and left ventricles, and understanding the form/function relationship in congenital heart defects is more difficult than for acquired heart disease because of the variety and complexity of congenital heart defects. Individuals involved in the care of patients with congenital heart defects have to be stimulated to consider further investigations and alternative surgical strategies.

  2. Effect of structural defects on electronic and magnetic properties of ZrS2 monolayer

    Science.gov (United States)

    Wang, Haiyang; Zhao, Xu; Gao, Yonghui; Wang, Tianxing; Wei, Shuyi

    2018-04-01

    We aimed at ten configurations of vacancy defects and used the first-principles methods based on density functional theory to research electronic and magnetic properties of ZrS2 monolayer. Results show that the system of two-zirconium vacancy (V2zr) and one Zr atom + one S atom vacancy (V1Zr+1S) can induce to total spin magnetic moment of 0.245μB and 0.196μB, respectively. In addition, three and six S atoms vacancy can induce corresponding system to manifest spin magnetic moment of 0.728μB and 3.311μB, respectively. In S atom vacancy defects, vacancy defects can transform the system from semiconductor to metal, several of the Zr atoms and adjacent S atoms display antiferromagnetism coupling in three apart S atom vacancy defects. Vacancy defects can make the intrisic monolayer ZrS2 transform semiconductor into metal. These results are important for the achievement of spin devices based on ZrS2 semiconductor.

  3. Evaluation procedure of creep-fatigue defect growth in high temperature condition and application

    International Nuclear Information System (INIS)

    Park, Chang Gyu; Kim, Jong Bum; Lee, Jae Han

    2003-12-01

    This study proposed the evaluation procedure of creep-fatigue defect growth on the high-temperature cylindrical structure applicable to the KALIMER, which is developed by KAERI. Parameters used in creep defect growth and the evaluation codes with these parameters were analyzed. In UK, the evaluation procedure of defect initiation and growth were proposed with R5/R6 code. In Japan, simple evauation method was proposed by JNC. In France, RCC-MR A16 code which was evaluation procedure of the creep-fatigue defect initiation and growth related to leak before break was developed, and equations related to load conditions were modified lately. As an application example, the creep-fatigue defect growth on circumferential semi-elliptical surface defect in high temperature cylindrical structure was evaluated by RCC-MR A16

  4. 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

  5. Radiation-induced defect production in MgF2-Co crystals

    International Nuclear Information System (INIS)

    Nuritdinov, I.; Turdanov, K.; Mirinoyatova, N.M.; Rejterov, V.M.

    1996-01-01

    Impact of Co-admixture on structural radiation defects formation in the MgF 2 crystals is studied. It is found that the Co admixture facilitates the probability of generating the F- and m-type centers of radiation defects as well as creation of the F- and M-centers, perturbed by admixtures. The availability of structural defects leads in its turn to the admixture ions perturbation. It is reflected in the removal of prohibition on spin-prohibited transitions of the Co 2 + ions. It is assumed that creation of the M-centers is the main cause for removal of the prohibition on the spin-prohibited transitions. 8 refs., 4 figs

  6. Defects induced by helium implantation in SiC

    International Nuclear Information System (INIS)

    Oliviero, E.; Barbot, J.F.; Declemy, A.; Beaufort, M.F.; Oliviero, E.

    2008-01-01

    SiC is one of the considered materials for nuclear fuel conditioning and for the fabrication of some core structures in future nuclear generation reactors. For the development of this advance technology, a fundamental research on this material is of prime importance. In particular, the implantation/irradiation effects have to be understood and controlled. It is with this aim that the structural alterations induced by implantation/irradiation in SiC are studied by different experimental techniques as transmission electron microscopy, helium desorption, X-ray diffraction and Rutherford backscattering spectrometry. In this work, the different types of defects induced by helium implantation in SiC, point or primary defects (obtained at low energy (∼100 eV) until spread defects (obtained at higher energy (until ∼2 MeV)) are exposed. The amorphization/recrystallization and swelling phenomena are presented too. (O.M.)

  7. Growth, defect structure, and THz application of stoichiometric lithium niobate

    Energy Technology Data Exchange (ETDEWEB)

    Lengyel, K.; Péter, Á.; Kovács, L.; Corradi, G.; Dravecz, G.; Hajdara, I.; Szaller, Zs.; Polgár, K. [Wigner Research Centre for Physics, Hungarian Academy of Sciences, 1121 Budapest, Konkoly-Thege M. út 29-33 (Hungary); Pálfalvi, L.; Unferdorben, M. [Institute of Physics, University of Pécs, 7624 Pécs, Ifjúság útja 6 (Hungary); Hebling, J. [Institute of Physics, University of Pécs, 7624 Pécs, Ifjúság útja 6 (Hungary); MTA-PTE High Field Terahertz Research Group, 7624 Pécs (Hungary)

    2015-12-15

    preferred for most nonlinear optical applications apart holography and have the additional advantage to minimize the absorption even in the far-infrared (THz) range. The review also provides a discussion on the progress made in the characterization of non-stoichiometry related intrinsic and extrinsic defect structures in doped LN crystals, with emphasis on ODR-ion-doped and/or closely stoichiometric systems, based on both spectroscopic measurements and theoretical modelling, including the results of first principles quantum mechanical calculations on hydroxyl defects. It will also be shown that new perspective applications, e.g., the generation of high energy THz pulses with energies on the tens-of-mJ scale, are feasible with ODR-doped sLN crystals if optimal conditions, including the contact grating technique, are applied.

  8. Optimizing the hydrogen storage in boron nitride nanotubes by defect engineering

    Energy Technology Data Exchange (ETDEWEB)

    Oezdogan, Kemal; Berber, Savas [Physics Department, Gebze Institute of Technology, Cayirova Kampusu, Gebze, 41400 Kocaeli (Turkey)

    2009-06-15

    We use ab initio density functional theory calculations to study the interaction of hydrogen with vacancies in boron nitride nanotubes to optimize the hydrogen storage capacity through defect engineering. The vacancies reconstruct by forming B-B and N-N bonds across the defect site, which are not as favorable as heteronuclear B-N bonds. Our total energy and structure optimization results indicate that the hydrogen cleaves these reconstructing bonds to form more stable atomic structures. The hydrogenated defects offer smaller charge densities that allow hydrogen molecule to pass through the nanotube wall for storing hydrogen inside the nanotubes. Our optimum reaction pathway search revealed that hydrogen molecules could indeed go through a hydrogenated defect site with relatively small energy barriers compared to the pristine nanotube wall. The calculated activation energies for different diameters suggest a preferential diameter range for optimum hydrogen storage in defective boron nitride nanotubes. (author)

  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. Ionization-induced rearrangement of defects in silicon

    International Nuclear Information System (INIS)

    Vinetskij, V.L.; Manojlo, M.A.; Matvijchuk, A.S.; Strikha, V.I.; Kholodar', G.A.

    1988-01-01

    Ionizing factor effect on defect rearrangement in silicon including centers with deep local electron levels in the p-n-transition region is considered. Deep center parameters were determined using non-steady-state capacity spectroscopy of deep levels (NCDLS) method. NCDLS spectrum measurement was performed using source p + -n - diodes and after their irradiation with 15 keV energy electrons or laser pulses. It is ascertained that in silicon samples containing point defect clusters defect rearrangement under ionizing factor effect takes place, i.e. deep level spectra are changed. This mechanism is efficient in case of silicon irradiation with subthreshold energy photons and electrons and can cause degradation of silicon semiconducting structures

  11. Ion channeling study of defects in compound crystals using Monte Carlo simulations

    Science.gov (United States)

    Turos, A.; Jozwik, P.; Nowicki, L.; Sathish, N.

    2014-08-01

    Ion channeling is a well-established technique for determination of structural properties of crystalline materials. Defect depth profiles have been usually determined basing on the two-beam model developed by Bøgh (1968) [1]. As long as the main research interest was focused on single element crystals it was considered as sufficiently accurate. New challenge emerged with growing technological importance of compound single crystals and epitaxial heterostructures. Overlap of partial spectra due to different sublattices and formation of complicated defect structures makes the two beam method hardly applicable. The solution is provided by Monte Carlo computer simulations. Our paper reviews principal aspects of this approach and the recent developments in the McChasy simulation code. The latter made it possible to distinguish between randomly displaced atoms (RDA) and extended defects (dislocations, loops, etc.). Hence, complex defect structures can be characterized by the relative content of these two components. The next refinement of the code consists of detailed parameterization of dislocations and dislocation loops. Defect profiles for variety of compound crystals (GaN, ZnO, SrTiO3) have been measured and evaluated using the McChasy code. Damage accumulation curves for RDA and extended defects revealed non monotonous defect buildup with some characteristic steps. Transition to each stage is governed by the different driving force. As shown by the complementary high resolution XRD measurements lattice strain plays here the crucial role and can be correlated with the concentration of extended defects.

  12. THE GEOMETRY OF THE INFRARED AND X-RAY OBSCURER IN A DUSTY HYPERLUMINOUS QUASAR

    Energy Technology Data Exchange (ETDEWEB)

    Farrah, Duncan; Harris, Kathryn [Department of Physics, Virginia Tech, Blacksburg, VA 24061 (United States); Baloković, Mislav; Brightman, Murray [Cahill Center for Astronomy and Astrophysics, California Institute of Technology, Pasadena, CA 91125 (United States); Stern, Daniel; Walton, Dominic J. [Jet Propulsion Laboratory, California Institute of Technology, Pasadena, CA 91109 (United States); Kunimoto, Michelle; Clements, David L. [Astrophysics Group, Imperial College London, Blackett Laboratory, Prince Consort Road, London SW7 2AZ (United Kingdom); Alexander, David M. [Department of Physics, Durham University, Durham DH1 3LE (United Kingdom); Arévalo, Patricia [Instituto de Física y Astronomía, Facultad de Ciencias, Universidad de Valparaíso, Gran Bretana N 1111, Playa Ancha, Valparaíso (Chile); Ballantyne, David R. [Center for Relativistic Astrophysics, School of Physics, Georgia Institute of Technology, 837 State Street, Atlanta, GA 30332-0430 (United States); Bauer, Franz E. [Instituto de Astrofísica, Facultad de Física, Pontificia Universidad Católica de Chile, Casilla 306, Santiago 22 (Chile); Boggs, Steven [Space Science Laboratory, University of California, Berkeley, CA 94720 (United States); Brandt, William N. [Department of Astronomy and Astrophysics, 525 Davey Lab, The Pennsylvania State University, University Park, PA 16802 (United States); Christensen, Finn [DTU Space, National Space Institute, Technical University of Denmark, Elektrovej 327, DK-2800 Lyngby (Denmark); Craig, William [EMBIGGEN Anillo, Concepción (Chile); Fabian, Andrew, E-mail: farrah@vt.edu [Institute of Astronomy, Madingley Road, Cambridge, CB3 0HA (United Kingdom); and others

    2016-11-01

    We study the geometry of the active galactic nucleus (AGN) obscurer in IRAS 09104+4109, an IR-luminous, radio-intermediate FR-I source at z = 0.442, using infrared data from Spitzer and Herschel , X-ray data from NuSTAR , Swift , Suzaku , and Chandra , and an optical spectrum from Palomar. The infrared data imply a total rest-frame 1–1000 μ m luminosity of 5.5 × 10{sup 46} erg s{sup −1} and require both an AGN torus and a starburst model. The AGN torus has an anisotropy-corrected IR luminosity of 4.9 × 10{sup 46} erg s{sup −1} and a viewing angle and half-opening angle both of approximately 36° from pole-on. The starburst has a star formation rate of (110 ± 34) M {sub ⊙} yr{sup −1} and an age of <50 Myr. These results are consistent with two epochs of luminous activity in IRAS 09104+4109: one approximately 150 Myr ago, and one ongoing. The X-ray data suggest a photon index of Γ ≃ 1.8 and a line-of-sight column density of N {sub H} ≃ 5 × 10{sup 23} cm{sup −2}. This argues against a reflection-dominated hard X-ray spectrum, which would have implied a much higher N {sub H} and luminosity. The X-ray and infrared data are consistent with a bolometric AGN luminosity of L {sub bol} ∼ (0.5–2.5) × 10{sup 47} erg s{sup −1}. The X-ray and infrared data are further consistent with coaligned AGN obscurers in which the line of sight “skims” the torus. This is also consistent with the optical spectra, which show both coronal iron lines and broad lines in polarized but not direct light. Combining constraints from the X-ray, optical, and infrared data suggest that the AGN obscurer is within a vertical height of 20 pc, and a radius of 125 pc, of the nucleus.

  13. The Geometry of the Infrared and X-Ray Obscurer in a Dusty Hyperluminous Quasar

    Science.gov (United States)

    Farrah, Duncan; Balokovic, Mislav; Stern, Daniel; Harris, Kathryn; Kunimoto, Michelle; Walton, Dominc J.; Alexander, David M.; Arevalo, Patricia; Ballantyne, David R.; Bauer, Franz E.; hide

    2016-01-01

    We study the geometry of the active galactic nucleus (AGN) obscurer in IRAS 09104+4109, an IR-luminous, radio-intermediate FR-I source at z = 0.442, using infrared data from Spitzer and Herschel, X-ray data from NuSTAR, Swift, Suzaku, and Chandra, and an optical spectrum from Palomar. The infrared data imply a total rest-frame 1-1000 micron luminosity of 5.5 × 10(exp 46) ergs/s and require both an AGN torus and a starburst model. The AGN torus has an anisotropy-corrected IR luminosity of 4.9 × 10(exp 46) ergs/s and a viewing angle and half-opening angle both of approximately 36deg from pole-on. The starburst has a star formation rate of (110 +/- 34) Stellar Mass/yr and an age of <50 Myr. These results are consistent with two epochs of luminous activity in IRAS 09104+4109: one approximately 150 Myr ago, and one ongoing. The X-ray data suggest a photon index of Gamma approx. =l 1.8 and a line-of-sight column density of N(sub H) approx. = 5 × 10(exp 23) sq cm. This argues against a reflection-dominated hard X-ray spectrum, which would have implied a much higher N(sub H) and luminosity. The X-ray and infrared data are consistent with a bolometric AGN luminosity of L(sub bol) approx.(0.5-2.5) ×10(exp 47) ergs/s. The X-ray and infrared data are further consistent with co-aligned AGN obscurers in which the line of sight "skims" the torus. This is also consistent with the optical spectra, which show both coronal iron lines and broad lines in polarized but not direct light. Combining constraints from the X-ray, optical, and infrared data suggest that the AGN obscurer is within a vertical height of 20 pc, and a radius of 125 pc, of the nucleus.

  14. Defect modes caused by twinning in one-dimensional photonic crystals

    Czech Academy of Sciences Publication Activity Database

    Němec, Hynek; Duvillaret, L.; Quemeneur, F.; Kužel, Petr

    2004-01-01

    Roč. 21, č. 3 (2004), s. 548-553 ISSN 0740-3224 Institutional research plan: CEZ:AV0Z1010914 Keywords : photonic structures * twin-defect * defect levels * tuning Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.649, year: 2004

  15. The shape of the cosmic X-ray background: nuclear starburst discs and the redshift evolution of AGN obscuration

    Science.gov (United States)

    Gohil, R.; Ballantyne, D. R.

    2018-04-01

    A significant number of active galactic nuclei (AGNs) are observed to be hidden behind dust and gas. The distribution of material around AGNs plays an important role in modelling the cosmic X-ray background (CXB), especially the fraction of type 2 AGNs (f2). One of the possible explanations for obscuration in Seyfert galaxies at intermediate redshifts is dusty starburst discs. We compute the two-dimensional (2D) hydrostatic structure of 768 nuclear starburst discs (NSDs) under various physical conditions and also the distribution of column density along the line of sight (NH) associated with these discs. Then the NH distribution is evolved with redshift by using the redshift-dependent distribution function of input parameters. Parameter f2 shows a strong positive evolution up to z = 2, but only a weak level of enhancement at higher z. The Compton-thin and Compton-thick AGN fractions associated with these starburst regions increase ∝ (1 + z)δ, where δ is estimated to be 1.12 and 1.45, respectively. The reflection parameter Rf associated with column density NH ≥ 1023.5 cm-2 extends from 0.13 at z = 0 to 0.58 at z = 4. A CXB model employing this evolving NH distribution indicates that more compact (Rout < 120 pc) NSDs provide a better fit to the CXB. In addition to `Seyfert-like' AGNs obscured by nuclear starbursts, we predict that 40-60 per cent of quasars must be Compton-thick to produce a peak of the CXB spectrum within the observational uncertainty. The predicted total number counts of AGNs in 8-24 keV bands are in fair agreement with observations from the Nuclear Spectroscopic Telescope Array (NuSTAR).

  16. The X-ray to [Ne V]3426 flux ratio: discovering heavily obscured AGN in the distant Universe

    Science.gov (United States)

    Gilli, R.; Vignali, C.; Mignoli, M.; Iwasawa, K.; Comastri, A.; Zamorani, G.

    2010-09-01

    We investigate the possibility of using the ratio between the 2-10 keV flux and the [Ne V]3426 emission line flux (X/NeV) as a diagnostic diagram to discover heavily obscured, possibly Compton-thick active galactic nuclei (AGN) in the distant Universe. While it is on average about one order of magnitude fainter than the more commonly used [O III]5007 emission line, the [Ne V]3426 line can be observed with optical spectroscopy up to z~1.5, whereas the [O III]5007 line is redshifted out of the optical bands already at z~0.8. First, we calibrated a relation between X/NeV and the cold absorbing column density NH using a sample of 74 bright, nearby Seyferts with both X-ray and [Ne V] data available in the literature and for which the column density is determined unambiguously. Similar to what is found for the X-ray to [O III]5007 flux ratio (X/OIII), we found that the X/NeV ratio decreases towards high column densities, as expected if [Ne V]3426 emission is a good tracer of the AGN intrinsic power. Essentially all local Seyferts with X/NeV values below 15 are found to be Compton-thick objects. At X/NeV values below 100, the percentage of Compton-thick nuclei decreases to ~50%, but ~80% of the considered sample is still absorbed with NH > 1023 cm-2. Second, we applied this diagnostic diagram to different samples of distant obscured and unobscured QSOs in the Sloan Digital Sky Survey (SDSS). SDSS blue, unobscured, type-1 QSOs in the redshift range z = [0.1-1.5] indeed show X/NeV values typical of unobscured Seyfert 1s in the local Universe. Conversely, SDSS type-2 QSOs at z~0.5 classified either as Compton-thick or Compton-thin on the basis of their X/OIII ratio, would have mostly been classified in the same way based on the X/NeV ratio. We applied the X/NeV diagnostic diagram to 9 SDSS obscured QSOs in the redshift range z = [0.85-1.31], selected by means of their prominent [Ne V]3426 line (rest EW > 4 Å) and observed with Chandra ACIS-S for 10ks each (8 of them as part

  17. Magnetite Fe3O4 (111) Surfaces: Impact of Defects on Structure, Stability, and Electronic Properties

    KAUST Repository

    Noh, Jung Hyun

    2015-08-04

    We present a comprehensive investigation, via first-principles density functional theory (DFT) calculations, of various surface terminations of magnetite, Fe3O4 (111), a major iron oxide which has also a number of applications in electronics and spintronics. We compare the thermodynamic stability and electronic structure among the different surfaces terminations. Interestingly, we find that surfaces modified with point defects and adatoms can be more stable than bulk-like terminations. These surfaces show different surface chemistry, electronic structures and distinctive spin polarization features near the Fermi level from those previously considered in the literature. Our studies provide an atomic level insight for magnetite surfaces, which is a necessary step to understanding their interfaces with organic layers in OLED and spintronic devices.

  18. Very high channel conductivity in low-defect AlN/GaN high electron mobility transistor structures

    International Nuclear Information System (INIS)

    Dabiran, A. M.; Wowchak, A. M.; Osinsky, A.; Xie, J.; Hertog, B.; Cui, B.; Chow, P. P.; Look, D. C.

    2008-01-01

    Low defect AlN/GaN high electron mobility transistor (HEMT) structures, with very high values of electron mobility (>1800 cm 2 /V s) and sheet charge density (>3x10 13 cm -2 ), were grown by rf plasma-assisted molecular beam epitaxy (MBE) on sapphire and SiC, resulting in sheet resistivity values down to ∼100 Ω/□ at room temperature. Fabricated 1.2 μm gate devices showed excellent current-voltage characteristics, including a zero gate saturation current density of ∼1.3 A/mm and a peak transconductance of ∼260 mS/mm. Here, an all MBE growth of optimized AlN/GaN HEMT structures plus the results of thin-film characterizations and device measurements are presented

  19. Magnetite Fe3O4 (111) Surfaces: Impact of Defects on Structure, Stability, and Electronic Properties

    KAUST Repository

    Noh, Jung Hyun; Osman, Osman I; Aziz, Saadullah G.; Winget, Paul; Bredas, Jean-Luc

    2015-01-01

    We present a comprehensive investigation, via first-principles density functional theory (DFT) calculations, of various surface terminations of magnetite, Fe3O4 (111), a major iron oxide which has also a number of applications in electronics and spintronics. We compare the thermodynamic stability and electronic structure among the different surfaces terminations. Interestingly, we find that surfaces modified with point defects and adatoms can be more stable than bulk-like terminations. These surfaces show different surface chemistry, electronic structures and distinctive spin polarization features near the Fermi level from those previously considered in the literature. Our studies provide an atomic level insight for magnetite surfaces, which is a necessary step to understanding their interfaces with organic layers in OLED and spintronic devices.

  20. Piezoelectricity induced defect modes for shear waves in a periodically stratified supperlattice

    Science.gov (United States)

    Piliposyan, Davit

    2018-01-01

    Properties of shear waves in a piezoelectric stratified periodic structure with a defect layer are studied for a superlattice with identical piezoelectric materials in a unit cell. Due to the electro-mechanical coupling in piezoelectric materials the structure exhibits defect modes in the superlattice with full transmission peaks both for full contact and electrically shorted interfaces. The results show an existence of one or two transmission peaks depending on the interfacial conditions. In the long wavelength region where coupling between electro-magnetic and elastic waves creates frequency band gaps the defect layer introduces one or two defect modes transmitting both electro-magnetic and elastic energies. Other parameters affecting the defect modes are the thickness of the defect layer, differences in refractive indexes and the magnitude of the angle of the incident wave. The results of the paper may be useful in the design of narrow band filters or multi-channel piezoelectric filters.

  1. An improved potential drop method for measuring and monitoring defects in structures

    International Nuclear Information System (INIS)

    Oppermann, W.; Keller, H.P.

    1991-01-01

    In its advanced form, the direct-current potential probe measuring technique is a reliable and relatively exact procedure for measuring and monitoring surface defects. In addition, there is the possibility - important for practical purposes - of measuring cracks at the inaccessible side of a component part. The improved accuracy, in particular with regard to short defects, is based on advanced measuring techniques and calibration curves determined at the electrolytical tank. (orig./DG) [de

  2. Disclinations, dislocations, and continuous defects: A reappraisal

    Science.gov (United States)

    Kleman, M.; Friedel, J.

    2008-01-01

    Disclinations were first observed in mesomorphic phases. They were later found relevant to a number of ill-ordered condensed-matter media involving continuous symmetries or frustrated order. Disclinations also appear in polycrystals at the edges of grain boundaries; but they are of limited interest in solid single crystals, where they can move only by diffusion climb and, owing to their large elastic stresses, mostly appear in close pairs of opposite signs. The relaxation mechanisms associated with a disclination in its creation, motion, and change of shape involve an interplay with continuous or quantized dislocations and/or continuous disclinations. These are attached to the disclinations or are akin to Nye’s dislocation densities, which are particularly well suited for consideration here. The notion of an extended Volterra process is introduced, which takes these relaxation processes into account and covers different situations where this interplay takes place. These concepts are illustrated by a variety of applications in amorphous solids, mesomorphic phases, and frustrated media in their curved habit space. These often involve disclination networks with specific node conditions. The powerful topological theory of line defects considers only defects stable against any change of boundary conditions or relaxation processes compatible with the structure considered. It can be seen as a simplified case of the approach considered here, particularly suited for media of high plasticity or/and complex structures. It cannot analyze the dynamical properties of defects nor the elastic constants involved in their static properties; topological stability cannot guarantee energetic stability, and sometimes cannot distinguish finer details of the structure of defects.

  3. Phase Defects as a Measure of Disorder in Traveling-Wave Convection

    International Nuclear Information System (INIS)

    La Porta, A.; Surko, C.M.

    1996-01-01

    Spatiotemporal disorder is studied in traveling-wave convection in an ethanol-water mixture. A technique for calculating the complex order parameter of the pattern is described, and the identification of phase defects is demonstrated. Point defects, domain boundaries, and standing wave patterns are shown to produce unique defect structures. The transition from a disordered state to a more ordered pattern is described in terms of the dynamics of defects and their statistics. copyright 1996 The American Physical Society

  4. Defect assessment procedures at high temperature

    International Nuclear Information System (INIS)

    Ainsworth, R.A.

    1991-01-01

    A comprehensive assessment procedure for the high-temperature response of structures is being produced. The procedure is referred to as R5 and is written as a series of step-by-step instructions in a number of volumes. This paper considers in detail those parts of R5 which address the behaviour of defects. The defect assessment procedures may be applied to defects found in service, postulated defects, or defects formed during operation as a result of creep-fatigue loading. In the last case, a method is described for deducing from endurance data the number of cycles to initiate a crack of a specified size. Under steady loading, the creep crack tip parameter C * is used to assess crack growth. Under cyclic loading, the creep crack growth during dwell periods is stiell governed by C * but crack growth due to cyclic excursions must also be included. This cyclic crack growth is described by an effective stress intensity factor range. A feature of the R5 defect assessment procedures in that they are based on simplified methods and approximate reference stress methods are described which enable C * in a component to be evaluated. It is shown by comparison with theoretical calculations and experimental data that reliable estimates of C * and the associated crack growth are obtained provided realistic creep strain rate date are used in the reference stress approximation. (orig./HP)

  5. Defect generation/passivation by low energy hydrogen implant for silicon solar cells

    International Nuclear Information System (INIS)

    Sopori, B.L.; Zhou, T.Q.; Rozgonyi, G.A.

    1990-01-01

    Low energy ion implant is shown to produce defects in silicon. These defects include surface damage, hydrogen agglomeration, formation of platelets with (111) habit plane and decoration of dislocations. Hydrogen also produces an inversion type of surface on boron doped silicon. These effects indicate that a preferred approach for passivation is to incorporate hydrogen from the back side of the cell. A backside H + implant technique is described. The results show that degree of passivation differs for various devices. A comparison of the defect structures of hydrogenated devices indicates that the structure and the distribution of defects in the bulk of the material plays a significant role in determining the degree of passivation

  6. Direct Observation of Radiation Defects: Experiment and Interpretation

    International Nuclear Information System (INIS)

    Dudarev, S.L.

    2012-01-01

    Electron microscopy is arguably the only available experimental method suitable for the direct visualization of nano-scale defect structures formed under irradiation. Images of dislocation loops and point-defect clusters in crystals are usually produced using diffraction contrast methods. For relatively large defects, a combination of dynamical imaging and image contrast simulations is required for determining the nature of visible radiation defects. At the same time, density functional theory (DFT) models developed over the last decade have provided unique information about the structure of nano-scale defects produced by irradiation, including the defects that are so small that they cannot be observed in an electron microscope, and about the pathways of migration and interaction between radiation defects. DFT models, involving no experimental input parameters and being as quantitatively accurate and informative as the most advanced experimental techniques for the direct observation of defects, have created a new paradigm for the scientific investigation of radiation damage phenomena. In particular, DFT models offer new insight into the origin of temperature-dependent response of materials to irradiation, a problem of pivotal significance for applications. By combining information derived from the first-principles models for radiation defects with information derived from small-scale experimental observations it may be possible to acquire quantitative knowledge about how materials respond to irradiation and, using this knowledge, develop materials suitable for advanced applications in fission and fusion. It now appears possible to pose the question about the development of integrated fusion power plant models, combining neutron transport calculations and microscopic models for microstructural evolution of materials, for example models for ab initio prediction of helium embrittlement. Such models, based on scientific principles and quantitative data, and developed

  7. Detection of defects of Kenaf/Epoxy by Thermography Analyses

    International Nuclear Information System (INIS)

    Suriani, M J; Ali, Aidi; Sapuan, S M; Khalina, A; Abdullah, S

    2012-01-01

    There are quite a few defects can occur due to manufacturing of the composites such as voids, resin-rich zones, pockets of undispersed cross-linker, misaligned fibres and regions where resin has poorly wetted the fibres. Such defect can reduce the mechanical properties as well mechanical performance of the structure and thus must be determine. In this study, the defect of Kenaf/epoxy reinforced composite materials has been determined by thermography analyses and mechanical properties testing of the composites have been done by tensile test. 95% of the thermography analyses have proved that the defects occur in the composite has reduced the mechanical properties of the specimens.

  8. Augmentation of failed human vertebrae with critical un-contained lytic defect restores their structural competence under functional loading: An experimental study.

    Science.gov (United States)

    Alkalay, Ron N; von Stechow, Dietrich; Hackney, David B

    2015-07-01

    Lytic spinal lesions reduce vertebral strength and may result in their fracture. Vertebral augmentation is employed clinically to provide mechanical stability and pain relief for vertebrae with lytic lesions. However, little is known about its efficacy in strengthening fractured vertebrae containing lytic metastasis. Eighteen unembalmed human lumbar vertebrae, having simulated uncontained lytic defects and tested to failure in a prior study, were augmented using a transpedicular approach and re-tested to failure using a wedge fracture model. Axial and moment based strength and stiffness parameters were used to quantify the effect of augmentation on the structural response of the failed vertebrae. Effects of cement volume, bone mineral density and vertebral geometry on the change in structural response were investigated. Augmentation increased the failed lytic vertebral strength [compression: 85% (Paugmentation is effective in bolstering the failed lytic vertebrae compressive and axial structural competence, showing strength estimates up to 50-90% of historical values of osteoporotic vertebrae without lytic defects. This modest increase suggests that lytic vertebrae undergo a high degree of structural damage at failure, with strength only partially restored by vertebral augmentation. The positive effect of cement volume is self-limiting due to extravasation. Copyright © 2015. Published by Elsevier Ltd.

  9. Betaine supplementation reduces congenital defects after prenatal alcohol exposure (Conference Presentation)

    Science.gov (United States)

    Karunamuni, Ganga; Gu, Shi; Doughman, Yong Qiu; Sheehan, Megan M.; Ma, Pei; Peterson, Lindsy M.; Linask, Kersti K.; Jenkins, Michael W.; Rollins, Andrew M.; Watanabe, Michiko

    2016-03-01

    Over 500,000 women per year in the United States drink during pregnancy, and 1 in 5 of this population also binge drink. As high as 20-50% of live-born children with prenatal alcohol exposure (PAE) present with congenital heart defects including outflow and valvuloseptal anomalies that can be life-threatening. Previously we established a model of PAE (modeling a single binge drinking episode) in the avian embryo and used optical coherence tomography (OCT) imaging to assay early-stage cardiac function/structure and late-stage cardiac defects. At early stages, alcohol/ethanol-exposed embryos had smaller cardiac cushions and increased retrograde flow. At late stages, they presented with gross morphological defects in the head and chest wall, and also exhibited smaller or abnormal atrio-ventricular (AV) valves, thinner interventricular septae (IVS), and smaller vessel diameters for the aortic trunk branches. In other animal models, the methyl donor betaine (found naturally in many foods such as wheat bran, quinoa, beets and spinach) ameliorates neurobehavioral deficits associated with PAE but the effects on heart structure are unknown. In our model of PAE, betaine supplementation led to a reduction in gross structural defects and appeared to protect against certain types of cardiac defects such as ventricular septal defects and abnormal AV valvular morphology. Furthermore, vessel diameters, IVS thicknesses and mural AV leaflet volumes were normalized while the septal AV leaflet volume was increased. These findings highlight the importance of betaine and potentially methylation levels in the prevention of PAE-related birth defects which could have significant implications for public health.

  10. 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

  11. 2012 Gordon Research Conference on Defects in Semiconductors - Formal Schedule and Speaker/Poster Program

    Energy Technology Data Exchange (ETDEWEB)

    Glaser, Evan [Naval Research Lab. (NRL), Washington, DC (United States)

    2012-08-17

    The meeting shall strive to develop and further the fundamental understanding of defects and their roles in the structural, electronic, optical, and magnetic properties of bulk, thin film, and nanoscale semiconductors and device structures. Point and extended defects will be addressed in a broad range of electronic materials of particular current interest, including wide bandgap semiconductors, metal-oxides, carbon-based semiconductors (e.g., diamond, graphene, etc.), organic semiconductors, photovoltaic/solar cell materials, and others of similar interest. This interest includes novel defect detection/imaging techniques and advanced defect computational methods.

  12. Electrochemical transformations of oxygen and the defect structure of solid solutions on the basis of alkaline earth metal ortho-vanadates

    International Nuclear Information System (INIS)

    Khodos, M.Ya.; Belysheva, G.M.; Brajnina, Kh.Z.

    1986-01-01

    Effect of iso- and heterovalent substitution in the structure of alkaline earth metal ortho-vanadates and synthesis conditions, simulating the definite type of their crystal lattice disordering, on the character of potentiodynamic anodic-cathodic curves has been investigated by the method of cyclic voltammetry. Correlation between signals observed and the defect structure of oxide compounds is refined. Oxygen chemisorption is shown to be determined by concentration of nonequilibrium oxygen vacancies, which formation is accompanied by appearance of quasi-free electrons

  13. Role of masking oxide on silicon in processes of defect generation at formation of SIMOX structures

    CERN Document Server

    Askinazi, A Y; Miloglyadova, L V

    2002-01-01

    One investigated into Si-SiO sub 2 structures formed by implantation of oxygen ions into silicon (SIMOX-technology) by means of techniques based on measuring of high-frequency volt-farad characteristics and by means of electroluminescence. One determined existence of electrically active centres and of luminescence centres in the formed oxide layer near boundary with silicon. One clarified the role SiO sub 2 masking layer in silicon in defect generation under formation of the masked oxide layer. One established dependence of concentration of electrically active and luminescence centres on thickness of masking layer

  14. Defective pyrite (100) surface: An ab initio study

    International Nuclear Information System (INIS)

    Stirling, Andras; Bernasconi, Marco; Parrinello, Michele

    2007-01-01

    The structural and electronic properties of sulfur monomeric defects at the FeS 2 (100) surface have been studied by periodic density-functional calculations. We have shown that for a monomeric sulfur bound to an originally fivefold coordinated surface Fe site, the defect core features a triplet electronic ground state with unpaired spins localized on the exposed Fe-S unit. At this site, the iron and sulfur ions have oxidation states +4 and -2, respectively. This defect can be seen as produced via heterolytic bond breaking of the S-S sulfur dimer followed by a Fe-S redox reaction. The calculated sulfur 2p core-level shifts of the monomeric defects are in good agreement with experimental photoemission spectra, which allow a compelling assignment of the different spectroscopic features. The effect of water on the stability of the defective surface has also been studied, and it has been shown that the triplet state is stable against the wetting of the surface. The most important implications of the presence of the monomeric sulfur defect on the reactivity are also discussed

  15. 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.

  16. The distally-based island ulnar artery perforator flap for wrist defects

    Directory of Open Access Journals (Sweden)

    Karki Durga

    2007-01-01

    Full Text Available Background: Reconstruction of soft tissue defects around the wrist with exposed tendons, joints, nerves and bone represents a challenge to plastic surgeons, and such defects necessitate flap coverage to preserve hand functions and to protect its vital structures. We evaluated the use of a distally-based island ulnar artery perforator flap in patients with volar soft tissue defects around the wrist. Materials and Methods: Between June 2004 and June 2006, seven patients of soft tissue defects on the volar aspect of the wrist underwent distally-based island ulnar artery perforator flap. Out of seven patients, five were male and two patients were female. This flap was used in the reconstruction of the post road traffic accident defects in four patients and post electric burn defects in three patients. Flap was raised on one or two perforators and was rotated to 180°. Results: All flaps survived completely. Donor sites were closed primarily without donor site morbidity. Conclusion: The distally-based island Ulnar artery perforator flap is convenient, reliable, easy to manage and is a single-stage technique for reconstructing soft tissue defects of the volar aspect of the wrist. Early use of this flap allows preservation of vital structures, decreases morbidity and allows for early rehabilitation.

  17. Study of defect generated visible photoluminescence in zinc oxide nano-particles prepared using PVA templates

    Energy Technology Data Exchange (ETDEWEB)

    Oudhia, A. [Department of Physics, Government V.Y.T. PG. Autonomous College, Durg, 491001 C.G. (India); Choudhary, A., E-mail: aarti.bhilai@gmail.com [Department of Physics, Government V.Y.T. PG. Autonomous College, Durg, 491001 C.G. (India); Sharma, S.; Aggrawal, S. [Department of Physics, Government V.Y.T. PG. Autonomous College, Durg, 491001 C.G. (India); Dhoble, S.J. [RTM University Nagpur, Maharashtra (India)

    2014-10-15

    Intrinsic defect generated photoluminescence (PL) in zinc oxide nanoparticles (NPs) obtained by a PVA template based wet-chemical process has been studied. A good controllability was achieved on the surface defects, structure and the morphology of ZnO NPs through the variation of solvents used in synthesis. The PL emission strongly depended on the defect structure and morphology. SEM, XRD, annealing and PL excitation studies were used to analyze the types of defects involved in the visible emission as well as the defect concentration. The mechanism for the blue, green and yellow emissions was proposed. The spectral content of the visible emission was controlled through generation/removal of defects through the shape transformation or annealing by focusing on defect origins and broad controls. - Highlights: • ZnO nanoparticles were synthesized using poly-vinyl alcohol template in various solvents. • The structure and morphology of ZnO nanoparticles were depended on dielectric constant and boiling point of solvents. • Photoluminescence properties of ZnO nanoparticles were studied. • Maximum optical absorbance and Photoluminescence intensity were found in ethanolic preparation. • ZnO nanoparticles were annealed at different temperatures for detection of defect emission.

  18. Structural Defects of Silver Hollandite, Ag(x)Mn8O(y), Nanorods: Dramatic Impact on Electrochemistry.

    Science.gov (United States)

    Wu, Lijun; Xu, Feng; Zhu, Yimei; Brady, Alexander B; Huang, Jianping; Durham, Jessica L; Dooryhee, Eric; Marschilok, Amy C; Takeuchi, Esther S; Takeuchi, Kenneth J

    2015-08-25

    Hollandites (OMS-2) are an intriguing class of sorbents, catalysts, and energy storage materials with a tunnel structure permitting one-dimensional insertion and deinsertion of ions and small molecules along the c direction. A 7-fold increase in delivered capacity for Li/AgxMn8O16 electrochemical cells (160 versus 23 mAh/g) observed upon a seemingly small change in silver content (x ∼1.1 (L-Ag-OMS-2) and 1.6 (H-Ag-OMS-2)) led us to characterize the structure and defects of the silver hollandite material. Herein, Ag hollandite nanorods are studied through the combined use of local (atomic imaging, electron diffraction, electron energy-loss spectroscopy) and bulk (synchrotron based X-ray diffraction, thermogravimetric analysis) techniques. Selected area diffraction and high resolution transmission electron microscopy show a structure consistent with that refined by XRD; however, the Ag occupancy varies significantly even within neighboring channels. Both local and bulk measurements indicate a greater quantity of oxygen vacancies in L-Ag-OMS-2, resulting in lower average Mn valence relative to H-Ag-OMS-2. Electron energy loss spectroscopy shows a lower Mn oxidation state on the surface relative to the interior of the nanorods, where the average Mn valence is approximately Mn(3.7+) for H-Ag-OMS-2 and Mn(3.5+) for L-Ag-OMS-2 nanorods, respectively. The higher delivered capacity of L-Ag-OMS-2 may be related to more oxygen vacancies compared to H-Ag-OMS-2. Thus, the oxygen vacancies and MnO6 octahedra distortion are assumed to open the MnO6 octahedra walls, facilitating Li diffusion in the ab plane. These results indicate crystallite size and surface defects are significant factors affecting battery performance.

  19. Transmission electron microscope study of neutron irradiation-induced defects in silicon

    International Nuclear Information System (INIS)

    Oshima, Ryuichiro; Kawano, Tetsuya; Fujimoto, Ryoji

    1994-01-01

    Commercial Czochralski-grown silicon (Cz-Si) and float-zone silicon (Fz-Si) wafers were irradiated with fission neutrons at various fluences from 10 19 to 10 22 n/cm 2 at temperatures ranging from 473 K to 1043 K. The irradiation induced defect structures were examined by transmission electron microscopy and ultra high voltage electron microscopy, which were compared with Marlowe code computer simulation results. It was concluded that the vacancy-type damage structure formed at 473 K were initiated from collapse of vacancy-rich regions of cascades, while interstitial type defect clusters formed by irradiation above 673 K were associated with interstitial oxygen atoms and free interstitials which diffused out of the cascades. Complex defect structures were identified to consist of {113} and {111} planar faults by the parallel beam illumination diffraction analysis. (author)

  20. High Defect Tolerance in Lead Halide Perovskite CsPbBr3.

    Science.gov (United States)

    Kang, Jun; Wang, Lin-Wang

    2017-01-19

    The formation energies and charge-transition levels of intrinsic point defects in lead halide perovskite CsPbBr 3 are studied from first-principles calculations. It is shown that the formation energy of dominant defect under Br-rich growth condition is much lower than that under moderate or Br-poor conditions. Thus avoiding the Br-rich condition can help to reduce the defect concentration. Interestingly, CsPbBr 3 is found to be highly defect-tolerant in terms of its electronic structure. Most of the intrinsic defects induce shallow transition levels. Only a few defects with high formation energies can create deep transition levels. Therefore, CsPbBr 3 can maintain its good electronic quality despite the presence of defects. Such defect tolerance feature can be attributed to the lacking of bonding-antibonding interaction between the conduction bands and valence bands.

  1. On the re-characterisation of defects in structural integrity assessments due to snap-through

    International Nuclear Information System (INIS)

    Burdekin, F.M.; Sherry, A.H.

    2006-01-01

    TAGSI was asked by HSE/NII to comment on the effectiveness of the R6 procedure which permits a surface defect failing an initial assessment to be re-assessed as a through thickness defect of increased length. If the defect passes the re-assessment it may then be considered acceptable. In TAGSI's view re-characterisation needs to be considered separately for contained plastic collapse and ductile or brittle fracture of the remaining ligament. For plastic collapse and ductile tearing of the remaining ligament the R6 rules for re-characterisation appear generally satisfactory. For brittle failure of the ligament in many cases the R6 recommendations will be found satisfactory but for cases of large difference between static and dynamic toughness it is recommended that scoping calculations should be carried out for the defect geometry, loading and material properties of concern

  2. "Observation Obscurer" - Time Series Viewer, Editor and Processor

    Science.gov (United States)

    Andronov, I. L.

    The program is described, which contains a set of subroutines suitable for East viewing and interactive filtering and processing of regularly and irregularly spaced time series. Being a 32-bit DOS application, it may be used as a default fast viewer/editor of time series in any compute shell ("commander") or in Windows. It allows to view the data in the "time" or "phase" mode, to remove ("obscure") or filter outstanding bad points; to make scale transformations and smoothing using few methods (e.g. mean with phase binning, determination of the statistically opti- mal number of phase bins; "running parabola" (Andronov, 1997, As. Ap. Suppl, 125, 207) fit and to make time series analysis using some methods, e.g. correlation, autocorrelation and histogram analysis: determination of extrema etc. Some features have been developed specially for variable star observers, e.g. the barycentric correction, the creation and fast analysis of "OC" diagrams etc. The manual for "hot keys" is presented. The computer code was compiled with a 32-bit Free Pascal (www.freepascal.org).

  3. Reliability implications of defects in high temperature annealed Si/SiO2/Si structures

    International Nuclear Information System (INIS)

    Warren, W.L.; Fleetwood, D.M.; Shaneyfelt, M.R.; Winokur, P.S.; Devine, R.A.B.; Mathiot, D.; Wilson, I.H.; Xu, J.B.

    1994-01-01

    High-temperature post-oxidation annealing of poly-Si/SiO 2 /Si structures such as metal-oxide-semiconductor capacitors and metal-oxide-semiconductor field effect transistors is known to result in enhanced radiation sensitivity, increased 1/f noise, and low field breakdown. The authors have studied the origins of these effects from a spectroscopic standpoint using electron paramagnetic resonance (EPR) and atomic force microscopy. One result of high temperature annealing is the generation of three types of paramagnetic defect centers, two of which are associated with the oxide close to the Si/SiO 2 interface (oxygen-vacancy centers) and the third with the bulk Si substrate (oxygen-related donors). In all three cases, the origin of the defects may be attributed to out-diffusion of O from the SiO 2 network into the Si substrate with associated reduction of the oxide. The authors present a straightforward model for the interfacial region which assumes the driving force for O out-diffusion is the chemical potential difference of the O in the two phases (SiO 2 and the Si substrate). Experimental evidence is provided to show that enhanced hole trapping and interface-trap and border-trap generation in irradiated high-temperature annealed Si/SiO 2 /Si systems are all related either directly, or indirectly, to the presence of oxygen vacancies

  4. 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

  5. A criterion and mechanism for power ramp defects

    International Nuclear Information System (INIS)

    Garlick, A.; Gravenor, J.G.

    1978-02-01

    The problem of power ramp defects in water reactor fuel pins is discussed in relation to results recently obtained from ramp experiments in the Steam Generating Heavy Water Reactor. Cladding cracks in the defected fuel pins were similar, both macro- and micro structurally, to those in unirradiated Zircaloy exposed to iodine stress-corrosion cracking (scc) conditions. Furthermore, when the measured stress levels for scc in short-term tests were taken as a criterion for ramp defects, UK fuel modelling codes were found to give a useful indication of defect probability under reactor service conditions. The likelihood of sticking between fuel and cladding is discussed and evidence presented which suggests that even at power a degree of adhesion may be expected in some fuel pins. The ramp defect mechanism is discussed in terms of fission product scc, initiation being by intergranular penetration and propagation by cleavage when suitably orientated grains are exposed to large dilatational stresses ahead of the main crack. (author)

  6. Characterization of lacunar defects by positrons annihilation

    International Nuclear Information System (INIS)

    Barthe, M.F.; Corbel, C.; Blondiaux, G.

    2003-01-01

    Among the nondestructive methods for the study of matter, the positrons annihilation method allows to sound the electronic structure of materials by measuring the annihilation characteristics. These characteristics depend on the electronic density as seen by the positon, and on the electron momentums distribution which annihilate with the positon. The positon is sensible to the coulombian potential variations inside a material and sounds preferentially the regions away from nuclei which represent potential wells. The lacunar-type defects (lack of nuclei) represent deep potential wells which can trap the positon up to temperatures close to the melting. This article describes the principles of this method and its application to the characterization of lacunar defects: 1 - positrons: matter probes (annihilation of electron-positon pairs, annihilation characteristics, positrons sources); 2 - positrons interactions in solids (implantation profiles, annihilation states, diffusion and trapping, positon lifetime spectrum: evolution with the concentration of defects); 3 - measurement of annihilation characteristics with two gamma photons (lifetime spectroscopy with the β + 22 Na isotope, spectroscopy of Doppler enlargement of the annihilation line); 4 - determination of the free volume of defects inside or at the surface of materials (annihilation signature in lacunar defects, lacuna, lacunar clusters and cavities, acceptors nature in semiconductors: ionic or lacunar, interface defects, precipitates in alloys); 5 - conclusions. (J.S.)

  7. Tuning the reactivity of Ru nanoparticles by defect engineering of the reduced graphene oxide support

    KAUST Repository

    Liu, Xin

    2014-01-01

    We systematically investigated the electronic structure of Ru nanoparticles supported on various local structures on reduced graphene oxide (rGO) by first-principles-based calculations. We showed that Ru nanoparticles prefer to nucleate at these localized defect structures on rGO, which act as strong trapping sites for Ru nanoparticles and inhibit their aggregation. The binding of Ru nanoparticles to rGO, which is dependent on these local defect structures and correlates with the interfacial charge transfer, determines the electronic structure of the composites. Further study reveals that the performance of these composites against oxygen adsorption changes proportionally with the shift of the d-band center of the nanoparticles. The correlation between the defect structures on rGO and the reactivity of the composites suggests that controlled modification of the graphenic support by defect engineering would be an efficient way to fabricate new transition metal/rGO composites with high stability and desired reactivity. This journal is © the Partner Organisations 2014.

  8. HOT DUST OBSCURED GALAXIES WITH EXCESS BLUE LIGHT: DUAL AGN OR SINGLE AGN UNDER EXTREME CONDITIONS?

    Energy Technology Data Exchange (ETDEWEB)

    Assef, R. J.; Diaz-Santos, T. [Núcleo de Astronomía de la Facultad de Ingeniería, Universidad Diego Portales, Av. Ejército Libertador 441, Santiago (Chile); Walton, D. J.; Brightman, M. [Space Radiation Laboratory, California Institute of Technology, Pasadena, CA 91125 (United States); Stern, D.; Eisenhardt, P. R. M.; Tsai, C.-W. [Jet Propulsion Laboratory, California Institute of Technology, 4800 Oak Grove Drive, Mail Stop 169-236, Pasadena, CA 91109 (United States); Alexander, D. [Department of Physics, Durham University, Durham DH1 3LE (United Kingdom); Bauer, F. [Departamento de Astronomía y Astrofísica, Pontificia Universidad Católica de Chile, Casilla 306, Santiago 22 (Chile); Blain, A. W. [Physics and Astronomy, University of Leicester, 1 University Road, Leicester LE1 7RH (United Kingdom); Finkelstein, S. L. [The University of Texas at Austin, 2515 Speedway, Stop C1400, Austin, TX 78712 (United States); Hickox, R. C. [Department of Physics and Astronomy, Dartmouth College, 6127 Wilder Laboratory, Hanover, NH 03755 (United States); Wu, J. W., E-mail: roberto.assef@mail.udp.cl [UCLA Astronomy, P.O. Box 951547, Los Angeles, CA 90095-1547 (United States)

    2016-03-10

    Hot dust-obscured galaxies (Hot DOGs) are a population of hyper-luminous infrared galaxies identified by the Wide-field Infrared Survey Explorer (WISE) mission from their very red mid-IR colors, and characterized by hot dust temperatures (T > 60 K). Several studies have shown clear evidence that the IR emission in these objects is powered by a highly dust-obscured active galactic nucleus (AGN) that shows close to Compton-thick absorption at X-ray wavelengths. Thanks to the high AGN obscuration, the host galaxy is easily observable, and has UV/optical colors usually consistent with those of a normal galaxy. Here we discuss a sub-population of eight Hot DOGs that show enhanced rest-frame UV/optical emission. We discuss three scenarios that might explain the excess UV emission: (i) unobscured light leaked from the AGN by reflection over the dust or by partial coverage of the accretion disk; (ii) a second unobscured AGN in the system; or (iii) a luminous young starburst. X-ray observations can help discriminate between these scenarios. We study in detail the blue excess Hot DOG WISE J020446.13–050640.8, which was serendipitously observed by Chandra/ACIS-I for 174.5 ks. The X-ray spectrum is consistent with a single, hyper-luminous, highly absorbed AGN, and is strongly inconsistent with the presence of a secondary unobscured AGN. Based on this, we argue that the excess blue emission in this object is most likely either due to reflection or a co-eval starburst. We favor the reflection scenario as the unobscured star formation rate needed to power the UV/optical emission would be ≳1000 M{sub ⊙} yr{sup −1}. Deep polarimetry observations could confirm the reflection hypothesis.

  9. HOT DUST OBSCURED GALAXIES WITH EXCESS BLUE LIGHT: DUAL AGN OR SINGLE AGN UNDER EXTREME CONDITIONS?

    International Nuclear Information System (INIS)

    Assef, R. J.; Diaz-Santos, T.; Walton, D. J.; Brightman, M.; Stern, D.; Eisenhardt, P. R. M.; Tsai, C.-W.; Alexander, D.; Bauer, F.; Blain, A. W.; Finkelstein, S. L.; Hickox, R. C.; Wu, J. W.

    2016-01-01

    Hot dust-obscured galaxies (Hot DOGs) are a population of hyper-luminous infrared galaxies identified by the Wide-field Infrared Survey Explorer (WISE) mission from their very red mid-IR colors, and characterized by hot dust temperatures (T > 60 K). Several studies have shown clear evidence that the IR emission in these objects is powered by a highly dust-obscured active galactic nucleus (AGN) that shows close to Compton-thick absorption at X-ray wavelengths. Thanks to the high AGN obscuration, the host galaxy is easily observable, and has UV/optical colors usually consistent with those of a normal galaxy. Here we discuss a sub-population of eight Hot DOGs that show enhanced rest-frame UV/optical emission. We discuss three scenarios that might explain the excess UV emission: (i) unobscured light leaked from the AGN by reflection over the dust or by partial coverage of the accretion disk; (ii) a second unobscured AGN in the system; or (iii) a luminous young starburst. X-ray observations can help discriminate between these scenarios. We study in detail the blue excess Hot DOG WISE J020446.13–050640.8, which was serendipitously observed by Chandra/ACIS-I for 174.5 ks. The X-ray spectrum is consistent with a single, hyper-luminous, highly absorbed AGN, and is strongly inconsistent with the presence of a secondary unobscured AGN. Based on this, we argue that the excess blue emission in this object is most likely either due to reflection or a co-eval starburst. We favor the reflection scenario as the unobscured star formation rate needed to power the UV/optical emission would be ≳1000 M ⊙ yr −1 . Deep polarimetry observations could confirm the reflection hypothesis

  10. Defect-Induced Hedgehog Polarization States in Multiferroics

    Science.gov (United States)

    Li, Linze; Cheng, Xiaoxing; Jokisaari, Jacob R.; Gao, Peng; Britson, Jason; Adamo, Carolina; Heikes, Colin; Schlom, Darrell G.; Chen, Long-Qing; Pan, Xiaoqing

    2018-03-01

    Continuous developments in nanotechnology require new approaches to materials synthesis that can produce novel functional structures. Here, we show that nanoscale defects, such as nonstoichiometric nanoregions (NSNRs), can act as nano-building blocks for creating complex electrical polarization structures in the prototypical multiferroic BiFeO3 . An array of charged NSNRs are produced in BiFeO3 thin films by tuning the substrate temperature during film growth. Atomic-scale scanning transmission electron microscopy imaging reveals exotic polarization rotation patterns around these NSNRs. These polarization patterns resemble hedgehog or vortex topologies and can cause local changes in lattice symmetries leading to mixed-phase structures resembling the morphotropic phase boundary with high piezoelectricity. Phase-field simulations indicate that the observed polarization configurations are mainly induced by charged states at the NSNRs. Engineering defects thus may provide a new route for developing ferroelectric- or multiferroic-based nanodevices.

  11. Defect Proliferation in Active Nematic Suspensions

    Science.gov (United States)

    Mishra, Prashant; Bowick, Mark J.; Giomi, Luca; Marchetti, M. Cristina

    2014-03-01

    The rich structure of equilibrium nematic suspensions, with their characteristic disclination defects, is modified when active forces come into play. The uniform nematic state is known to be unstable to splay (extensile) or bend (contractile) deformations above a critical activity. At even higher activity the flow becomes oscillatory and eventually turbulent. Using hydrodynamics, we classify the active flow regimes as functions of activity and order parameter friction for both contractile and extensile systems. The turbulent regime is marked by a non-zero steady state density of mobile defect pairs. The defect density itself scales with an ``active Ericksen number,'' defined as the ratio of the rate at which activity is injected into the system to the relaxation rate of orientational deformations. The work at Syracuse University was supported by the NSF on grant DMR-1004789 and by the Syracuse Soft Matter Program.

  12. On the recovery of neutron irradiation defects of some metals and alloys

    International Nuclear Information System (INIS)

    Mohamed, H.G.; Matta, M.K.

    2001-01-01

    This work deals with the recovery of mechanical properties of neutron irradiated material to the pre-irradiating values. Rate of migration of defects responsible for radiation hardening and those inducing radiation embrittlement is analyzed. Role of crystalline structure is also studied. Materials of FCC crystal structure used in these investigations are pure Cu, Cu-5 at. % , Al, Cu-5 at. % Si, some Ni base binary alloys and some austenitic stainless steels mainly of AISI types 304 and 316. Among materials of BCC crystalline structure Fe-6 wt % Cr alloy is used. Alloys with CPH structure used in the present investigations are Zr-l wt. % Nb and Mg - 4.8 wt % Li alloys. History of material is studied such as cold worked state and annealed condition. Character of alloying elements and their amounts were of interest in this study. The result showed that the higher the percentage radiation hardening, the slower is the migration of radiation defects. Irradiated pure metals recovered at a higher temperature than alloys. Cold work accelerated the migration of radiation defects. The amount of alloying elements had little effect on the recovery temperatures. Character of solute alloying elements (substitutional or interstitial) revealed sensitive effect on the migration of radiation defects. Rate of migration of defects causing hardening can be different from those causing embrittlement. (author)

  13. 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.

  14. Limit analysis of spherical pressure vessels with protruding nozzles and associated defects

    International Nuclear Information System (INIS)

    Goodall, I.W.; Miller, A.G.

    1981-04-01

    In order to assess the failure of a structure with a defect it is necessary to obtain both a linear elastic fracture solution and a limit analysis of the structure. In combination these solutions enable the analyst to assess structural integrity. This note deals with the second aspect and investigates the effect of a partial penetration defect on the ductile collapse load of a spherical pressure vessel with a protruding nozzle. A lower bound solution is obtained for defects of varying depth around the intersection of the sphere and the cylinder. Results are presented for a typical geometry and it is found that the solution may be simply represented by three different functions depending on the fractional ligament thickness. (author)

  15. RECONSTRUCTION OF POST ELECTRIC BURN DEFECTS OF UPPER LIMB WITH DIFFERENT FLAPS

    Directory of Open Access Journals (Sweden)

    Satyajit

    2015-08-01

    Full Text Available INTRODUCTION: P ost electric burn defects are difficult to manage due to deep injury involving all the structures up to bony level. A good vascularized flap is required to resurface the defect for preventing the complication and for reconstruction of involved structures. AIM: Resurfacing the post electric burn defect with different flaps according to need of the defect. MATERIAL AND METHOD: All patients of electric burn hand and fore arm defect admitted to burn, p lastic and reconstructi ve department of SCB Medical College &hospital, Cuttack between January 2012 to December 2012 were included in the study. During this period the patients were followed up at weekly interval for first 2 month, then at 1 monthly interv al for next 6 - 8 month. OBSERVATION: Out of 40 cases of post electric burn forearm and hand reconstruction, 10 cases underwent groin flap cover, 6 cases underwent abdominal flap cover, 5 cases underwent cross finger flap cover 5 cases underwent free antero lateral thigh flap cover, 4 cases underwent free latissimus dorsi flap cover, 5 cases underwent first dorsal metacarpal artery flap cover, 5 cases reverse radial forearm flap cover. All the defects were resurfaced successfully with flaps. Four had marginal necrosis and six had wound infection. Eventually all flaps settled well without further intervention. Due to involvement of all important tendons & nerves, functional outcome is guarded. DISCUSSION: Hand and forearm are most commonly and most severely aff ected in electric burn injury because they are mostly first part of body to come in contact with electric circuit. Even though at initial part the injury appears to be superficial, deepe r structures like bone, tendon and neurovascular bundles are affected requiring flap cover for future reconstruction of these structures to get functional and sensate hand. CONCLUSION: Reconstruction of post electric burn defect of distal forearm and hand represents great challenge due to

  16. Analysis of Bending Waves in Phononic Crystal Beams with Defects

    Directory of Open Access Journals (Sweden)

    Yongqiang Guo

    2018-01-01

    Full Text Available Existing investigations on imperfect phononic crystal beams mainly concern periodic multi-span beams carrying either one or two channel waves with random or deterministic disorder in span-length. This paper studies the two channel bending waves in phononic crystal beams consisting of many phases of materials with defects introduced as one structural segment having different cross-sectional dimensions or material parameters. The method of reverberation-ray matrix (MRRM based on the Timoshenko beam theory, which can conduct high-frequency analysis, is extended for the theoretical analysis of dispersion and transmission of bending waves. The supercell technique and the Floquet–Bloch theorem are adopted for modeling the dispersion characteristics, and the whole finite structural model is used to calculate the transmission spectra. Experimental measurements and numerical calculations are provided to validate the displacement transmission obtained by the proposed MRRM, with the effect of damping on transmission spectra being concerned. The high-frequency calculation applicability of the proposed MRRM is also confirmed by comparing the present results with the corresponding ones either using the transfer matrix method (TMM or MRRM based on Euler—Bernoulli beam theory. The influences of defect size, defect form, and unit-cell number on the transmission spectra and the band structures are discussed. The drawn conclusions may be useful for designing or evaluating the defected phononic crystal beams in bending wave control. In addition, our conclusions are especially potential for identifying the defect location through bending wave signals.

  17. Classical integrable defects as quasi Bäcklund transformations

    Energy Technology Data Exchange (ETDEWEB)

    Doikou, Anastasia, E-mail: a.doikou@hw.ac.uk

    2016-10-15

    We consider the algebraic setting of classical defects in discrete and continuous integrable theories. We derive the “equations of motion” on the defect point via the space-like and time-like description. We then exploit the structural similarity of these equations with the discrete and continuous Bäcklund transformations. And although these equations are similar they are not exactly the same to the Bäcklund transformations. We also consider specific examples of integrable models to demonstrate our construction, i.e. the Toda chain and the sine-Gordon model. The equations of the time (space) evolution of the defect (discontinuity) degrees of freedom for these models are explicitly derived.

  18. Impurity-defect complexes in hydrogenated amorphous silicon

    International Nuclear Information System (INIS)

    Yang, L.H.; Fong, C.Y.; Nichols, C.S.

    1991-01-01

    The two most outstanding features observed for dopants in hydrogenated amorphous silicon (a-Si:H)-a shift in the Fermi level accompanied by an increase in the defect density and an absence of degenerate doping have previously been postulated to stem from the formation of substitutional dopant-dangling bond complexes. Using first-principles self-consistent pseudopotential calculations in conjunction with a supercell model for the amorphous network and the ability of network relaxation from the first-principles results. The authors have studied the electronic and structural properties of substitutional fourfold-coordinated phosphorus and boron at the second neighbor position to a dangling bond defect. This paper demonstrates that such impurity-defect complexes can account for the general features observed experimentally in doped a-Si:H

  19. Defects in Cu(In,Ga)Se{sub 2} chalcopyrite semiconductors: a comparative study of material properties, defect states, and photovoltaic performance

    Energy Technology Data Exchange (ETDEWEB)

    Cao, Qing; Gunawan, Oki; Copel, Matthew; Reuter, Kathleen B; Chey, S Jay; Mitzi, David B [IBM T.J. Watson Research Center, Yorktown Heights, NY (United States); Deline, Vaughn R [IBM Almaden Resesarch Center, San Jose, CA (United States)

    2011-10-15

    Understanding defects in Cu(In,Ga)(Se,S){sub 2} (CIGS), especially correlating changes in the film formation process with differences in material properties, photovoltaic (PV) device performance, and defect levels extracted from admittance spectroscopy, is a critical but challenging undertaking due to the complex nature of this polycrystalline compound semiconductor. Here we present a systematic comparative study wherein varying defect density levels in CIGS films were intentionally induced by growing CIGS grains using different selenium activity levels. Material characterization results by techniques including X-ray diffraction, scanning electron microscopy, transmission electron microscopy, secondary ion mass spectrometry, X-ray photoelectron spectroscopy, and medium energy ion scattering indicate that this process variation, although not significantly affecting CIGS grain structure, crystal orientation, or bulk composition, leads to enhanced formation of a defective chalcopyrite layer with high density of indium or gallium at copper antisite defects ((In, Ga){sub Cu}) near the CIGS surface, for CIGS films grown with insufficient selenium supply. This defective layer or the film growth conditions associated with it is further linked with observed current-voltage characteristics, including rollover and crossover behavior, and a defect state at around 110 meV (generally denoted as the N1 defect) commonly observed in admittance spectroscopy. The impact of the (In, Ga){sub Cu} defects on device PV performance is also established. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  20. Autograft reconstructions for bone defects in primary total knee replacement in severe varus knees

    Directory of Open Access Journals (Sweden)

    Yatinder Kharbanda

    2014-01-01

    Full Text Available Background: Large posteromedial defects encountered in severe varus knees during primary total knee arthroplasty can be treated by cementoplasty, structural bone grafts or metallic wedges. The option is selected depending upon the size of the defect. We studied the outcome of autograft (structural and impaction bone grafting reconstruction of medial tibial bone defects encountered during primary total knee replacement in severe varus knees. Materials and Methods: Out of 675 primary varus knees operated, bone defects in proximal tibia were encountered in 54 knees. Posteromedial defects involving 25-40% of the tibial condyle cut surface and measuring more than 5 mm in depth were grafted using a structural graft obtained from cut distal femur or proximal tibia in 48 knees. For larger, peripheral uncontained vertical defects in six cases, measuring >25 mm in depth and involving >40% cut surface of proximal tibial condyle, impaction bone grafting with a mesh support was used. Results: Bone grafts incorporated in 54 knees in 6 months. There was no graft collapse or stress fractures, loosening or nonunion. The average followup period was 7.8 years (range 5-10 years. We observed an average postoperative increase in the Knee Society Score from 40 to 90 points. There was improvement in the Western Ontario and McMaster Universities Osteoarthritis Index (WOMAC scores in terms of pain, stiffness and physical function during activities of daily living. Conclusion: Bone grafting for defects in primary total knee is justified as it is biological, available then and is cost effective besides preserving bone stock for future revisions. Structural grafts should be used in defects >5 mm deep and involving 25-40% of the cut proximal tibial condyle surface. For larger peripheral vertical defects, impaction bone grafting contained in a mesh should be done.

  1. Characterization of a defective PbWO4 crystal cut along the a-c crystallographic plane: structural assessment and a novel photoelastic stress analysis

    Science.gov (United States)

    Montalto, L.; Natali, P. P.; Daví, F.; Mengucci., P.; Paone, N.; Rinaldi, D.

    2017-12-01

    Among scintillators, the PWO is one of the most widely used, for instance in CMS calorimeter at CERN and PANDA project. Crystallographic structure and chemical composition as well as residual stress condition, are indicators of homogeneity and good quality of the crystal. In this paper, structural characterization of a defective PbWO4 (PWO) crystal has been performed by X-ray Diffraction (XRD), Energy Dispersive Spectroscopy (EDS) and Photoelasticity in the unusual (a, c) crystallographic plane. XRD and EDS analysis have been used to investigate crystallographic orientation and chemical composition, while stress distribution, which indicates macroscopic inhomogeneities and defects, has been obtained by photoelastic approaches, in Conoscopic and Sphenoscopic configuration. Since the sample is cut along the (a, c) crystallographic plane, a new method is proposed for the interpretation of the fringe pattern. The structural analysis has detected odds from the nominal lattice dimension, which can be attributed to the strong presence of Pb and W. A strong inhomogeneity over the crystal sample has been revealed by the photoelastic inspection. The results give reliability to the proposed procedure which is exploitable in crystals with other structures.

  2. Immobile defects in ferroelastic walls: Wall nucleation at defect sites

    Science.gov (United States)

    He, X.; Salje, E. K. H.; Ding, X.; Sun, J.

    2018-02-01

    Randomly distributed, static defects are enriched in ferroelastic domain walls. The relative concentration of defects in walls, Nd, follows a power law distribution as a function of the total defect concentration C: N d ˜ C α with α = 0.4 . The enrichment Nd/C ranges from ˜50 times when C = 10 ppm to ˜3 times when C = 1000 ppm. The resulting enrichment is due to nucleation at defect sites as observed in large scale MD simulations. The dynamics of domain nucleation and switching is dependent on the defect concentration. Their energy distribution follows the power law with exponents during yield between ɛ ˜ 1.82 and 2.0 when the defect concentration increases. The power law exponent is ɛ ≈ 2.7 in the plastic regime, independent of the defect concentration.

  3. The nature of the torus in the heavily obscured AGN Markarian 3: an X-ray study

    DEFF Research Database (Denmark)

    Guainazzi, M.; Risaliti, G.; Awaki, H.

    2016-01-01

    In this paper, we report the results of an X-ray monitoring campaign on the heavily obscured Seyfert galaxy, Markarian 3, carried out between the fall of 2014 and the spring of 2015 with NuSTAR, Suzaku and XMM–Newton. The hard X-ray spectrum of Markarian 3 is variable on all the time-scales probe...

  4. Indium–gallium–zinc oxide thin film transistors with a hybrid-channel structure for defect suppression and mobility improvement

    International Nuclear Information System (INIS)

    Lin, Huang-Kai; Su, Liang-Yu; Hung, Chia-Chin; Huang, JianJang

    2013-01-01

    In this work, we explore an indium gallium zinc oxide (IGZO) thin film transistor structure with a vacuum annealed IGZO thin film inserted between the dielectric and typical channel layers. The device demonstrates a better subthreshold swing and field-effect mobility due to the suppression of defects in the channel and the channel/dielectric interface. The hybrid channel structure also exhibits the flexibility of adjusting the threshold voltage. The superior carrier mobility was then verified from the transient response of the inverter circuit constructed by the devices. - Highlights: • Additional in-situ annealed In–Ga–ZnO film was inserted in thin film transistor (TFT). • Traps are suppressed and field effect mobility is improved in the TFT. • An inverter with the device structure has a better transient response

  5. Indium–gallium–zinc oxide thin film transistors with a hybrid-channel structure for defect suppression and mobility improvement

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Huang-Kai; Su, Liang-Yu; Hung, Chia-Chin [Graduate Institute of Photonics and Optoelectronics, National Taiwan University, 1, Roosevelt Road, Sec. 4, Taipei 106, Taiwan (China); Huang, JianJang, E-mail: jjhuang@cc.ee.ntu.edu.tw [Graduate Institute of Photonics and Optoelectronics, National Taiwan University, 1, Roosevelt Road, Sec. 4, Taipei 106, Taiwan (China); Department of Electrical Engineering, National Taiwan University, 1, Roosevelt Road, Sec. 4, Taipei 106, Taiwan (China)

    2013-07-01

    In this work, we explore an indium gallium zinc oxide (IGZO) thin film transistor structure with a vacuum annealed IGZO thin film inserted between the dielectric and typical channel layers. The device demonstrates a better subthreshold swing and field-effect mobility due to the suppression of defects in the channel and the channel/dielectric interface. The hybrid channel structure also exhibits the flexibility of adjusting the threshold voltage. The superior carrier mobility was then verified from the transient response of the inverter circuit constructed by the devices. - Highlights: • Additional in-situ annealed In–Ga–ZnO film was inserted in thin film transistor (TFT). • Traps are suppressed and field effect mobility is improved in the TFT. • An inverter with the device structure has a better transient response.

  6. Selective CT mesentericography in the diagnostics of obscure overt intestinal bleeding: preliminary results

    International Nuclear Information System (INIS)

    Schuermann, K.; Buecker, A.; Tacke, J.; Schmitz-Rode, T.; Guenther, R.W.; Jansen, M.

    2002-01-01

    Aim: To evaluate intra-arterial CT mesentericography (CTM) in the diagnostics of severe obscure overt intestinal bleeding in comparison with conventional mesentericography (MG) and surgery. Methods: In 8 patients (23 - 82 years, mean 59 years), CTM was performed via the catheter left in the superior mesenteric artery after MG to detect the source of bleeding. Early and late-phase spiral CT scans were acquired after administration of contrast medium. Active bleeding was considered to be present if extravasation of contrast medium into the bowel was found. The results of MG and CTM were compared with the results of surgery. Results: With MG active bleeding was found in one patient, with CTM in five patients. In three patients, both MG and CTM were negative. Six patients underwent surgery. Five cases of bleeding detected with CTM were confirmed by surgery. In one case, bleeding found with CTM was not confirmed by surgery. One patient underwent surgery although all imaging procedures were negative. The source of bleeding remained unknown. Surgically, the site of bleeding was located in the jejunum in 3 patients (jejunitis, jejunal ulcers, carcinoid), one patient had a diverticulum in the ascending colon. The colonic bleeding site was correctly localized with CTM, whereas the small bowel bleeding could only roughly be assigned to the proximal or distal jejunum or jejunoileal transition area. Conclusion: Preliminary results indicate that selective CTM is superior to MG in the evaluation of severe obscure overt intestinal bleeding. (orig.) [de

  7. Incorporation of composite defects from ultrasonic NDE into CAD and FE models

    Science.gov (United States)

    Bingol, Onur Rauf; Schiefelbein, Bryan; Grandin, Robert J.; Holland, Stephen D.; Krishnamurthy, Adarsh

    2017-02-01

    Fiber-reinforced composites are widely used in aerospace industry due to their combined properties of high strength and low weight. However, owing to their complex structure, it is difficult to assess the impact of manufacturing defects and service damage on their residual life. While, ultrasonic testing (UT) is the preferred NDE method to identify the presence of defects in composites, there are no reasonable ways to model the damage and evaluate the structural integrity of composites. We have developed an automated framework to incorporate flaws and known composite damage automatically into a finite element analysis (FEA) model of composites, ultimately aiding in accessing the residual life of composites and make informed decisions regarding repairs. The framework can be used to generate a layer-by-layer 3D structural CAD model of the composite laminates replicating their manufacturing process. Outlines of structural defects, such as delaminations, are automatically detected from UT of the laminate and are incorporated into the CAD model between the appropriate layers. In addition, the framework allows for direct structural analysis of the resulting 3D CAD models with defects by automatically applying the appropriate boundary conditions. In this paper, we show a working proof-of-concept for the composite model builder with capabilities of incorporating delaminations between laminate layers and automatically preparing the CAD model for structural analysis using a FEA software.

  8. NMR studies of defects created by irradiation in metals

    International Nuclear Information System (INIS)

    Minier, M.; Minier, C.

    1983-06-01

    Nuclear Magnetic Resonance has been rarely used to study point defects created by irradiation in metals. Information obtained in this field using N.M.R. are shown. Some results are also described: characterization of migrating defects in electron irradiated copper; mobility of the complex interstitial-impurity in Al with 150 ppm of chromium; interstitial structure in irradiated aluminum and autodiffusion in metals [fr

  9. 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.

  10. Size Effect of Defects on the Mechanical Properties of Graphene

    Science.gov (United States)

    Park, Youngho; Hyun, Sangil

    2018-03-01

    Graphene, a two-dimensional material, has been studied and utilized for its excellent material properties. In reality, achieving a pure single-crystalline structure in graphene is difficult, so usually graphene may have various types of defects in it. Vacancies, Stone-Wales defects, and grain boundaries can drastically change the material properties of graphene. Graphene with vacancy defects has been of interest because it is a two-dimensional analogy of three-dimensional porous materials. It has efficient material properties, and can function as a part of modern devices. The mechanical properties have been studied by using molecular dynamics for either a single vacancy defect with various sizes or multiple vacancy defects with same defect ratios. However, it is not clear which one has more influence on the mechanical properties between the size of the defects and the defect ratio. Therefore, we investigated the hole-size effect on the mechanical properties of single-crystalline graphene at various defect ratios. A void defect with large size can have a rather high tensile modulus with a low fracture strain compared to a void defect with small size. We numerically found that the tensile properties of scattered single vacancies is similar to that of amorphous graphene. We suspect that this is due to the local orbital change of the carbon atoms near the boundary of the void defects, so-called the interfacial phase.

  11. New high-pressure polymorph of In{sub 2}S{sub 3} with defect Th{sub 3}P{sub 4}-type structure

    Energy Technology Data Exchange (ETDEWEB)

    Lai, Xiaojing; Zhu, Feng; Wu, Ye; Huang, Rong [Key Laboratory of Orogenic Belts and Crustal Evolution, MOE, Peking University, Beijing 100871 (China); School of Earth and Space Sciences, Peking University, Beijing 100871 (China); Wu, Xiang, E-mail: xiang.wu@pku.edu.cn [Key Laboratory of Orogenic Belts and Crustal Evolution, MOE, Peking University, Beijing 100871 (China); School of Earth and Space Sciences, Peking University, Beijing 100871 (China); Zhang, Qian [Key Laboratory of Orogenic Belts and Crustal Evolution, MOE, Peking University, Beijing 100871 (China); School of Earth and Space Sciences, Peking University, Beijing 100871 (China); Yang, Ke [Shanghai Synchrotron Radiation Facility, Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201204 (China); Qin, Shan, E-mail: sqin@pku.edu.cn [Key Laboratory of Orogenic Belts and Crustal Evolution, MOE, Peking University, Beijing 100871 (China); School of Earth and Space Sciences, Peking University, Beijing 100871 (China)

    2014-02-15

    The high pressure behavior of β-In{sub 2}S{sub 3} (I4{sub 1}/amd and Z=16) has been studied by in situ synchrotron radiation X-ray diffraction combined with diamond anvil cell up to 71.7 GPa. Three pressure-induced phase transitions are evidenced at ∼6.6 GPa, ∼11.1 GPa at room temperature and 35.6 GPa after the high-temperature annealing using a portable laser heating system. The new polymorph of In{sub 2}S{sub 3} at 35.6 GPa is assigned to the denser cubic defect Th{sub 3}P{sub 4} structure (I4¯3d and Z=5.333), whose unit-cell parameters are a=7.557(1) Å and V=431.6(2) Å{sup 3}. The Th{sub 3}P{sub 4}-type phase can be stable at least up to 71.7 GPa and cannot be preserved at ambient pressure. The pressure–volume relationship is well described by the second-order Birch–Murnaghan Equation of State, which yields B{sub 0}=63(3) GPa and B{sub 0}′=4 (fixed) for the β-In{sub 2}S{sub 3} phase and B{sub 0}=87(3) GPa and B{sub 0}′=4 (fixed) for the defect Th{sub 3}P{sub 4}-type phase respectively. - Graphical abstract: The structure and Rietveld refinement of new polymorph the defect Th{sub 3}P{sub 4}-type In{sub 2}S{sub 3}. This structure was observed at 35.6 GPa after laser heating by X-ray diffraction. Display Omitted - Highlights: Three pressure-induced phase transitions of β-In{sub 2}S{sub 3} were observed. β-In{sub 2}S{sub 3} was stable up to 6.6 GPa. The defect Th{sub 3}P{sub 4}-type In{sub 2}S{sub 3} was identified at 35.6 GPa after laser heating and was stable up to 71.7 GPa. Elastic properties of β-In{sub 2}S{sub 3} and Th{sub 3}P{sub 4}-type In{sub 2}S{sub 3} are well presented by Birch–Murnaghan EoS.

  12. Defect-impurity complex induced long-range ferromagnetism in GaN nanowires

    KAUST Repository

    Assa Aravindh, S

    2015-12-14

    Present work investigates the structural, electronic and magnetic properties of Gd doped wurtzite GaN nanowires (NWs) oriented along the [0001] direction in presence of intrinsic defects by employing the GGA + U approximation. We find that Ga vacancy (VGa) exhibits lower formation energy compared to N vacancy. Further stabilization of point defects occurs due to the presence of Gd. The strength of ferromagnetism (FM) increases by additional positive charge induced by the VGa. Electronic structure analysis shows that VGa introduces defect levels in the band gap leading to ferromagnetic coupling due to the hybridization of the p states of the Ga and N atoms with the Gd d and f states. Ferromagnetic exchange coupling energy of 76.4 meV is obtained in presence of Gd-VGa complex; hence, the FM is largely determined by the cation vacancy-rare earth complex defects in GaN NWs.

  13. 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.

  14. Defect-impurity complex induced long-range ferromagnetism in GaN nanowires

    KAUST Repository

    Assa Aravindh, S; Roqan, Iman S.

    2015-01-01

    Present work investigates the structural, electronic and magnetic properties of Gd doped wurtzite GaN nanowires (NWs) oriented along the [0001] direction in presence of intrinsic defects by employing the GGA + U approximation. We find that Ga vacancy (VGa) exhibits lower formation energy compared to N vacancy. Further stabilization of point defects occurs due to the presence of Gd. The strength of ferromagnetism (FM) increases by additional positive charge induced by the VGa. Electronic structure analysis shows that VGa introduces defect levels in the band gap leading to ferromagnetic coupling due to the hybridization of the p states of the Ga and N atoms with the Gd d and f states. Ferromagnetic exchange coupling energy of 76.4 meV is obtained in presence of Gd-VGa complex; hence, the FM is largely determined by the cation vacancy-rare earth complex defects in GaN NWs.

  15. Phase defects and spatiotemporal disorder in traveling-wave convection patterns

    International Nuclear Information System (INIS)

    La Porta, A.; Surko, C.M.

    1997-01-01

    Spatiotemporal disorder is studied in traveling-wave convection in ethanol-water mixtures. Spectral measures of disorder, linear correlation functions, and mutual information are used to characterize the patterns, and are found to give a weak indication of the level of disorder. The calculation of the complex order parameter for experimental patterns is described. It is found that the ordering of the patterns is accompanied by a dramatic change in the topological structure of the order parameter. Specific arrangements of defects are found to be associated with the elements of traveling-wave patterns, and the net charge and total number of defects is introduced as a measure of disorder in the patterns. The coarsening of the patterns is marked by an accumulation of net charge and a dramatic decrease in the number of defects. The physical significance of the defects is discussed, and it is shown that the phase velocity of the waves is lower in the vicinity of the defects. The defect-defect correlation functions are calculated for the convection patterns. It is shown that the ordering of the patterns is closely related to the apparent defect-defect interactions. copyright 1997 The American Physical Society

  16. Application of pulsed flash thermography method for specific defect estimation in aluminum

    Directory of Open Access Journals (Sweden)

    Tomić Ljubiša D.

    2015-01-01

    Full Text Available Nondestructive thermal examination can uncover the presence of defects via temperature distribution profile anomalies that are created on the surface as a result of a defect. There are many factors that affect the temperature distribution map of the surface being tested by Infrared Thermography. Internal defect properties such as thermal conductivity, heat capacity and defect depth, play an important role in the temperature behavior of the pixels or regions being analyzed. Also, it is well known that other external factors such as the convection heat transfer, variations on the surface emissivity and ambient radiation reflectivity can affect the thermographic signal received by the infrared camera. In this paper we considered a simple structure in the form of flat plate covered with several defects, whose surface we heated with a uniform heat flux impulse. We conducted a theoretical analysis and experimental test of the method for case of defects on an aluminum surface. First, experiments were conducted on surfaces with intentionally created defects in order to determine conditions and boundaries for application of the method. Experimental testing of the pulsed flash thermography (PFT method was performed on simulated defects on an aluminum test plate filled with air and organic compound n-hexadecane, hydrocarbon that belongs to the Phase Change Materials (PCMs. Study results indicate that it is possible, using the PFT method, to detect the type of material inside defect holes, whose presence disturbs the homogeneous structure of aluminum.

  17. 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.

  18. Defect generation during solidification of aluminium foams

    International Nuclear Information System (INIS)

    Mukherjee, M.; Garcia-Moreno, F.; Banhart, J.

    2010-01-01

    The reason for the frequent occurrence of cell wall defects in metal foams was investigated. Aluminium foams often expand during solidification, a process which is referred as solidification expansion (SE). The effect of SE on the structure of aluminium foams was studied in situ by X-ray radioscopy and ex situ by X-ray tomography. A direct correlation between the magnitude of SE and the number of cell wall ruptures during SE and finally the number of defects in the solidified foams was found.

  19. Quasi-one-dimensional metals on semiconductor surfaces with defects

    International Nuclear Information System (INIS)

    Hasegawa, Shuji

    2010-01-01

    Several examples are known in which massive arrays of metal atomic chains are formed on semiconductor surfaces that show quasi-one-dimensional metallic electronic structures. In this review, Au chains on Si(557) and Si(553) surfaces, and In chains on Si(111) surfaces, are introduced and discussed with regard to the physical properties determined by experimental data from scanning tunneling microscopy (STM), angle-resolved photoemission spectroscopy (ARPES) and electrical conductivity measurements. They show quasi-one-dimensional Fermi surfaces and parabolic band dispersion along the chains. All of them are known from STM and ARPES to exhibit metal-insulator transitions by cooling and charge-density-wave formation due to Peierls instability of the metallic chains. The electrical conductivity, however, reveals the metal-insulator transition only on the less-defective surfaces (Si(553)-Au and Si(111)-In), but not on a more-defective surface (Si(557)-Au). The latter shows an insulating character over the whole temperature range. Compared with the electronic structure (Fermi surfaces and band dispersions), the transport property is more sensitive to the defects. With an increase in defect density, the conductivity only along the metal atomic chains was significantly reduced, showing that atomic-scale point defects decisively interrupt the electrical transport along the atomic chains and hide the intrinsic property of transport in quasi-one-dimensional systems.

  20. Study on control of defect mode in hybrid mirror chirped porous silicon photonic crystal

    Science.gov (United States)

    Chen, Ying; Luo, Pei; Han, Yangyang; Cui, Xingning; He, Lei

    2018-03-01

    Based on the optical resonance principle and the tight-binding theory, a hybrid mirror chirped porous silicon photonic crystal is proposed. The control of the defect mode in hybrid mirror chirped porous silicon photonic crystal is studied. Through the numerical simulation, the control regulations of the defect modes resulted by the number of the periodical layers for the fundamental unit and the cascading number of the chirped structures are analyzed, and the split and the degeneration of the defect modes resulted by the change of the relative location between the mirror structures and the quasi-mirror structures are discussed. The simulation results show that the band gap would be broadened with the increase of the chirp quantity and the layer number of unilateral chirp. Adjusting the structural parameters of the hybrid mirror structure, the multimode characteristics will occur in the band gap. The more the cascading number of the chirped units, the more the number of the filtering channels will be. In addition, with the increase of the relative location between the mirror structures and the quasi-mirror structures, the degeneration of the defect modes will occur and can obtain high Q value. The structure can provide effective theoretical references for the design the multi-channel filters and high Q value sensors.

  1. A comparative study of density functional and density functional tight binding calculations of defects in graphene

    Energy Technology Data Exchange (ETDEWEB)

    Zobelli, Alberto [Laboratoire de Physique des Solides, Univ. Paris Sud, CNRS UMR, Orsay (France); Ivanovskaya, Viktoria; Wagner, Philipp; Yaya, Abu; Ewels, Chris P. [Institut des Materiaux Jean Rouxel (IMN), CNRS UMR, University of Nantes (France); Suarez-Martinez, Irene [Nanochemistry Research Institute, Curtin University of Technology, Perth, Western Australia (Australia)

    2012-02-15

    The density functional tight binding approach (DFTB) is well adapted for the study of point and line defects in graphene based systems. After briefly reviewing the use of DFTB in this area, we present a comparative study of defect structures, energies, and dynamics between DFTB results obtained using the dftb+ code, and density functional results using the localized Gaussian orbital code, AIMPRO. DFTB accurately reproduces structures and energies for a range of point defect structures such as vacancies and Stone-Wales defects in graphene, as well as various unfunctionalized and hydroxylated graphene sheet edges. Migration barriers for the vacancy and Stone-Wales defect formation barriers are accurately reproduced using a nudged elastic band approach. Finally we explore the potential for dynamic defect simulations using DFTB, taking as an example electron irradiation damage in graphene. DFTB-MD derived sputtering energy threshold map for a carbon atom in a graphene plane. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  2. Electronic and magnetic properties of MoS2 nanoribbons with sulfur line vacancy defects

    International Nuclear Information System (INIS)

    Han, Yang; Zhou, Jian; Dong, Jinming

    2015-01-01

    Highlights: • We performed DFT calculations on Sulfur line defects embedded MoS 2 . • The defects induced bond strains are larger in the zigzag (ZZ) edge ones. • The ZZ ones are metals, having two degenerate ground states FM and AFM. • The armchair ones are nonmagnetic semiconductors. • The defects can induce some defect states in the electronic structures. - Abstract: Motivated by the recent experimental result that single sulfur vacancies in monolayer MoS 2 are mobile under the electron beam and easily agglomerate into the sulfur line vacancy defects [Physical Review B 88, 035301(2013)] , the structural, electronic and magnetic properties of one dimensional zigzag (ZZ) and armchair (AC) edge MoS 2 nanoribbons with single or double staggered sulfur line vacancy defects (hereafter, abbreviated as SV or DV, respectively), parallel to their edges, have been investigated systematically by density functional theory calculations. It is very interesting to find that the bond strains induced by the sulfur line vacancy defect can cause a much larger out-of plane distortions in the ZZ edge MoS 2 nanoribbon than in the AC edge counterpart. Besides, the defective ZZ edge MoS 2 nanoribbons with SV or DV are both metals, having their two respective degenerate ground states with the same energy, among which one is ferromagnetic (FM “ + +”) and the other is antiferromagnetic (AFM “ + −”). But the AC edge MoS 2 nanoribbons with SV or DV are both nonmagnetic semiconductors, having very different gap values. Finally, the sulfur line vacancy defects would induce some defect states in the electronic structures of the defective MoS 2 nanoribbons. All these important results could provide a new route of tuning the electronic properties of MoS 2 nanoribbons and its derivatives for their promising applications in nanoelectronics and optoelectronics

  3. Electron damage and defects in organic crystals

    International Nuclear Information System (INIS)

    Howitt, D.G.

    1976-06-01

    The nature of the defects discernable from and the radiation damage that is induced by high resolution electron microscopy is reported. The structural aspects of the radiation damage process can be correlated to the expected radiochemical decomposition of these materials and these effects identified. The types of local defect formed by radiation damage are often clearly distinguishable, in high resolution images, from those inherent in the microstructure. Techniques used in this type of electron microscopy and the limitations imposed by radiation damage are described as are the relevant radiochemical characteristics of these processes. In copper pthalocyanine, microstructural features distinct from those induced by radiation damage were identified which are consistent with those predicted and described by other workers in similar materials. The high resolution studies indicate that some of the microstructures observed are caused by structural rearrangements that can account, to some extent, for additional crystallographic forms that have been identified in this material and the photochemical behaviour of related structures

  4. Auto-oscillations of temperature and defect density in impure crystals under irradiation

    International Nuclear Information System (INIS)

    Selishchev, P.A.; Sugakov, V.I.

    1990-01-01

    Appearance of auto-oscillations in temperature and defect density of impurity crystals under irradiation is studied. It is shown that at certain critical parameters stationary distribution of temperature and defect density of the sample irradiated becomes unstable as regards the formation of temporal dissipative structures: auto-oscillations of temperature and defect density. Critical parameters are determined (the rate of defect formation, temperature of crystal environment, etc.) and the frequency of appearing auto-oscillations, its dependence on irradiation conditions and crystal properties are found

  5. Orange-red emitting Gd2Zr2O7:Sm3+: Structure-property correlation, optical properties and defect spectroscopy

    Science.gov (United States)

    Gupta, Santosh K.; Reghukumar, C.; Sudarshan, K.; Ghosh, P. S.; Pathak, Nimai; Kadam, R. M.

    2018-05-01

    Local structure analysis of dopant ion, understanding host to dopant energy transfer dynamics and defects characterization in a doped material which plays an important role in the designing a highly efficient opto-electronic material. In this connection a new Sm3+ doped Gd2Zr2O7 pyrochlore material was synthesized using gel-combustion technique and was characterized systematically using X-ray diffraction (XRD), time resolved photoluminescence spectroscopy (TRPLS), positron annihilation lifetime spectroscopy (PALS) and density functional theory (DFT) based ab-initio calculation. Based on DFT site selective energetics calculation and luminescence decay measurement, it was observed that the Sm3+ was distributed at both Gd3+ and Zr4+ site with higher Sm3+ fraction at the Gd3+ site. PALS was used to probe the presence of defects in the phosphor. In this work intense orange-red emission is realized through manipulating the energy transfer from host defect emission (oxygen vacancies) to Sm3+ which allows color emission from green in undoped to orange-red in doped samples. Effect of dopant concentration and annealing temperature was probed using TRPLS and PALS. These all information is highly important for researcher looking to achieve pyrochlore based phosphor materials with high quantum yield.

  6. Effects of structure and defect on fatigue limit in high strength ductile irons

    International Nuclear Information System (INIS)

    Kim, Jin Hak; Kim, Min Gun

    2000-01-01

    In this paper, the influence of several factors such as hardness, internal defect and non-propagating crack on fatigue limits was investigated with three kinds of ductile iron specimens. From the experimental results the fatigue limits were examined in relation with hardness and tensile strength in case of high strength specimens under austempering treatment; in consequence the marked improvement of fatigue limits were not showed. The maximum defect size was an important factor to predict and to evaluate the fatigue limits of ductile irons. And, the quantitative relationship between the fatigue limits(σ ω ) and the maximum defect size(√area max ) was expressed as σ ω n · √area max =C 2 . Also, it was possible to explain the difference for the fatigue limits in three ductile irons by introduction of the non-propagating crack rates

  7. Defect structures in MgB2 wires introduced by hot isostatic pressing

    International Nuclear Information System (INIS)

    Liao, X Z; Serquis, A; Zhu, Y T; Civale, L; Hammon, D L; Peterson, D E; Mueller, F M; Nesterenko, V F; Gu, Y

    2003-01-01

    The microstructures of MgB 2 wires prepared by the powder-in-tube technique and subsequent hot isostatic pressing were investigated using transmission electron microscopy. A large amount of crystalline defects including small-angle twisting, tilting and bending boundaries, in which high densities of dislocations reside, was found forming sub-grains within MgB 2 grains. It is believed that these defects resulted from particle deformation during the hot isostatic pressing process and are effective flux pinning centres that contribute to the high critical current densities of the wires at high temperatures and at high fields

  8. Positron and positronium studies of irradiation-induced defects and microvoids in vitreous metamict silica

    International Nuclear Information System (INIS)

    Hasegawa, M.; Saneyasu, M.; Tabata, M.; Tang, Z.; Nagai, Y.; Chiba, T.; Ito, Y.

    2000-01-01

    To study irradiation-induced defects and structural microvoids in vitreous silica (v-SiO 2 ), positron lifetime, angular correlation of positron annihilation radiation (ACAR), and electron spin resonance (ESR) were measured on v-SiO 2 and quartz (c-SiO 2 ) samples irradiated with fast neutrons up to a dose of 4.1x10 20 n/cm 2 . Two kinds of positron-trapping defects have been found to form in v-SiO 2 by fast neutron irradiation: type-I and type-II defects. Similar defects also appear in the irradiated c-SiO 2 , indicating that both the defects are common in v-SiO 2 and c-SiO 2 . The detailed annealing and photo-illumination studies of positron annihilation and ESR for these two defects suggest that the type-I defects are non-bridging oxygen hole centers (NBOHC), while the type-II defects are oxygen molecules which cannot be detected by ESR. Higher dose irradiation than 1.0x10 20 n/cm 2 causes c-SiO 2 to change to metamict (amorphous) phase (m-SiO 2 ). Positronium (Ps) atoms are found to form in microvoids with an average radius of about 0.3 nm in the v-SiO 2 and m-SiO 2 . This suggests that microvoids proved by Ps are structurally intrinsic open spaces and reflect the topologically disordered structure of these phases in the subnanometer scale

  9. Genetic Defects Underlie the Non-syndromic Autosomal Recessive Intellectual Disability (NS-ARID

    Directory of Open Access Journals (Sweden)

    Saleha Shamim

    2017-05-01

    Full Text Available Intellectual disability (ID is a neurodevelopmental disorder which appears frequently as the result of genetic mutations and may be syndromic (S-ID or non-syndromic (NS-ID. ID causes an important economic burden, for patient's family, health systems, and society. Identifying genes that cause S-ID can easily be evaluated due to the clinical symptoms or physical anomalies. However, in the case of NS-ID due to the absence of co-morbid features, the latest molecular genetic techniques can be used to understand the genetic defects that underlie it. Recent studies have shown that non-syndromic autosomal recessive (NS-ARID is extremely heterogeneous and contributes much more than X-linked ID. However, very little is known about the genes and loci involved in NS-ARID relative to X-linked ID, and whose complete genetic etiology remains obscure. In this review article, the known genetic etiology of NS-ARID and possible relationships between genes and the associated molecular pathways of their encoded proteins has been reviewed which will enhance our understanding about the underlying genes and mechanisms in NS-ARID.

  10. Learning From Nature: Biomimetic Polarimetry for Imaging in Obscuring Environments

    Energy Technology Data Exchange (ETDEWEB)

    VanderLaan, John [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Scrymgeour, David [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Kemme, Shanalyn A. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2014-09-01

    We find for infrared wavelengths there are broad ranges of particle sizes and refractive indices that represent fog and rain where the use of circular polarization can persist to longer ranges than linear polarization. Using polarization tracking Monte Carlo simulations for varying particle size, wavelength, and refractive index systematically, we show that for specific scene parameters circular polarization outperforms linear polarization in maintaining the intended polarization state for large optical depths. This enhancement in circular polarization can be exploited to improve range and target detection in obscurant environments that are important in many critical sensing applications. Specifically, circular polarization persists better than linear for radiation fog in the short-wave infrared, for advection fog in the short-wave infrared and the long-wave infrared, and large particle sizes of Sahara dust around the 4 micron wavelength.

  11. Studies of defects and defect agglomerates by positron annihilation spectroscopy

    DEFF Research Database (Denmark)

    Eldrup, Morten Mostgaard; Singh, B.N.

    1997-01-01

    A brief introduction to positron annihilation spectroscopy (PAS), and in particular lo its use for defect studies in metals is given. Positrons injected into a metal may become trapped in defects such as vacancies, vacancy clusters, voids, bubbles and dislocations and subsequently annihilate from...... the trapped state iri the defect. The annihilation characteristics (e.g., the lifetime of the positron) can be measured and provide information about the nature of the defect (e.g., size, density, morphology). The technique is sensitive to both defect size (in the range from monovacancies up to cavities...

  12. Frequency Optimization for Enhancement of Surface Defect Classification Using the Eddy Current Technique

    Science.gov (United States)

    Fan, Mengbao; Wang, Qi; Cao, Binghua; Ye, Bo; Sunny, Ali Imam; Tian, Guiyun

    2016-01-01

    Eddy current testing is quite a popular non-contact and cost-effective method for nondestructive evaluation of product quality and structural integrity. Excitation frequency is one of the key performance factors for defect characterization. In the literature, there are many interesting papers dealing with wide spectral content and optimal frequency in terms of detection sensitivity. However, research activity on frequency optimization with respect to characterization performances is lacking. In this paper, an investigation into optimum excitation frequency has been conducted to enhance surface defect classification performance. The influences of excitation frequency for a group of defects were revealed in terms of detection sensitivity, contrast between defect features, and classification accuracy using kernel principal component analysis (KPCA) and a support vector machine (SVM). It is observed that probe signals are the most sensitive on the whole for a group of defects when excitation frequency is set near the frequency at which maximum probe signals are retrieved for the largest defect. After the use of KPCA, the margins between the defect features are optimum from the perspective of the SVM, which adopts optimal hyperplanes for structure risk minimization. As a result, the best classification accuracy is obtained. The main contribution is that the influences of excitation frequency on defect characterization are interpreted, and experiment-based procedures are proposed to determine the optimal excitation frequency for a group of defects rather than a single defect with respect to optimal characterization performances. PMID:27164112

  13. 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)

  14. THE BUILDER?S LIABILITY BEYOND THE DEFECTS LIABILITY

    Directory of Open Access Journals (Sweden)

    Johnson I IKPO

    2005-01-01

    Full Text Available This paper reviews the obligations of a builder after the expiration of the contracted defects liability period using relevant decided cases. The common areas identified as forming the bedrock of litigation pertain to structural and dimensional stability, freedom from damp, durability, adequate drainage, good waste disposal works, and effective service installations. Particular reference is made to walls, roofs, and services, which from the pilot study account for about 46%, 23%, and 17% respectively of the total defects attributable to the builder. It is concluded that the builder is responsible for defects arising from his product till the effluxion of reasonable time, except he establishes an element of contributory negligence.

  15. Study of the oxygen and substrate bias effects on the defect structure of reactive sputter-deposited SnOx films

    International Nuclear Information System (INIS)

    Misheva, M.; Nancheva, N.; Docheva, P.; Hadjijska, P.; Djourelov, N.; Elenkov, D.

    1999-01-01

    The effects of oxygen and substrate bias on the defect structure of reactive sputter-deposited SnOx films were investigated. Samples were analysed using transmission electron microscopy (TEM), transmission electron diffraction (TED), X-ray diffraction (XRD) and positron annihilation spectroscopy (PAS). The oxygen played an important role in the film growth and surface morphology. TEM, TED and XRD showed that increasing of the oxygen partial pressure leads to the formation of films with different crystal phases. The void sizes also depended on oxygen partial pressure. The positron lifetimes and their relative intensities depended on the void concentration, the partial annealing of the vacancies and oxidation of SnO to SnOx. This investigation also showed that the mechanical strength of the films obtained at negative substrate bias is higher and the concentration of vacancy defects is smaller, than in the films, prepared without substrate bias. (author)

  16. Obscured AGN at z ~ 1 from the zCOSMOS-Bright Survey. I. Selection and optical properties of a [Ne v]-selected sample

    Science.gov (United States)

    Mignoli, M.; Vignali, C.; Gilli, R.; Comastri, A.; Zamorani, G.; Bolzonella, M.; Bongiorno, A.; Lamareille, F.; Nair, P.; Pozzetti, L.; Lilly, S. J.; Carollo, C. M.; Contini, T.; Kneib, J.-P.; Le Fèvre, O.; Mainieri, V.; Renzini, A.; Scodeggio, M.; Bardelli, S.; Caputi, K.; Cucciati, O.; de la Torre, S.; de Ravel, L.; Franzetti, P.; Garilli, B.; Iovino, A.; Kampczyk, P.; Knobel, C.; Kovač, K.; Le Borgne, J.-F.; Le Brun, V.; Maier, C.; Pellò, R.; Peng, Y.; Perez Montero, E.; Presotto, V.; Silverman, J. D.; Tanaka, M.; Tasca, L.; Tresse, L.; Vergani, D.; Zucca, E.; Bordoloi, R.; Cappi, A.; Cimatti, A.; Koekemoer, A. M.; McCracken, H. J.; Moresco, M.; Welikala, N.

    2013-08-01

    Aims: The application of multi-wavelength selection techniques is essential for obtaining a complete and unbiased census of active galactic nuclei (AGN). We present here a method for selecting z ~ 1 obscured AGN from optical spectroscopic surveys. Methods: A sample of 94 narrow-line AGN with 0.65 advantage of the large amount of data available in the COSMOS field, the properties of the [Ne v]-selected type 2 AGN were investigated, focusing on their host galaxies, X-ray emission, and optical line-flux ratios. Finally, a previously developed diagnostic, based on the X-ray-to-[Ne v] luminosity ratio, was exploited to search for the more heavily obscured AGN. Results: We found that [Ne v]-selected narrow-line AGN have Seyfert 2-like optical spectra, although their emission line ratios are diluted by a star-forming component. The ACS morphologies and stellar component in the optical spectra indicate a preference for our type 2 AGN to be hosted in early-type spirals with stellar masses greater than 109.5 - 10 M⊙, on average higher than those of the galaxy parent sample. The fraction of galaxies hosting [Ne v]-selected obscured AGN increases with the stellar mass, reaching a maximum of about 3% at ≈2 × 1011 M⊙. A comparison with other selection techniques at z ~ 1, namely the line-ratio diagnostics and X-ray detections, shows that the detection of the [Ne v] λ3426 line is an effective method for selecting AGN in the optical band, in particular the most heavily obscured ones, but cannot provide a complete census of type 2 AGN by itself. Finally, the high fraction of [Ne v]-selected type 2 AGN not detected in medium-deep (≈100-200 ks) Chandra observations (67%) is suggestive of the inclusion of Compton-thick (i.e., with NH > 1024 cm-2) sources in our sample. The presence of a population of heavily obscured AGN is corroborated by the X-ray-to-[Ne v] ratio; we estimated, by means of an X-ray stacking technique and simulations, that the Compton-thick fraction in our

  17. Combined computational and experimental study of Ar beam induced defect formation in graphite

    International Nuclear Information System (INIS)

    Pregler, Sharon K.; Hayakawa, Tetsuichiro; Yasumatsu, Hisato; Kondow, Tamotsu; Sinnott, Susan B.

    2007-01-01

    Irradiation of graphite, commonly used in nuclear power plants, is known to produce structural damage. Here, experimental and computational methods are used to study defect formation in graphite during Ar irradiation at incident energies of 50 eV. The experimental samples are analyzed with scanning tunneling microscopy to quantify the size distribution of the defects that form. The computational approach is classical molecular dynamic simulations that illustrate the mechanisms by which the defects are produced. The results indicate that defects in graphite grow in concentrated areas and are nucleated by the presence of existing defects

  18. Structural and elastic properties of defect chalcopyrite HgGa{sub 2}S{sub 4} under high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Gomis, O., E-mail: osgohi@fis.upv.es [Centro de Tecnologías Físicas: Acústica, Materiales y Astrofísica, MALTA Consolider Team, Universitat Politècnica de València, 46022 València (Spain); Santamaría-Pérez, D. [Departamento de Física Aplicada-ICMUV, MALTA Consolider Team, Universitat de València, Edificio de Investigación, C/Dr. Moliner 50, Burjassot, 46100 València (Spain); Departamento de Química Física I, Universidad Complutense de Madrid, MALTA Consolider Team, Avenida Complutense s/n, 28040 Madrid (Spain); Vilaplana, R.; Luna, R. [Centro de Tecnologías Físicas: Acústica, Materiales y Astrofísica, MALTA Consolider Team, Universitat Politècnica de València, 46022 València (Spain); Sans, J.A.; Manjón, F.J. [Instituto de Diseño para la Fabricación y Producción Automatizada, MALTA Consolider Team, Universitat Politècnica de València, 46022 València (Spain); Errandonea, D. [Departamento de Física Aplicada-ICMUV, MALTA Consolider Team, Universitat de València, Edificio de Investigación, C/Dr. Moliner 50, Burjassot, 46100 València (Spain); and others

    2014-01-15

    Highlights: • Single crystals of HgGa{sub 2}S{sub 4} with defect-chalcopyrite (DC) structure were synthesized. • High-pressure X-ray diffraction in DC-HgGa{sub 2}S{sub 4} was performed. • Equation of state of DC-HgGa{sub 2}S{sub 4} determined (bulk modulus of 48.4 GPa). • Calculated elastic constants of DC-HgGa{sub 2}S{sub 4} reported at different pressures. • DC-HgGa{sub 2}S{sub 4} becomes mechanically unstable above 13.8 GPa. -- Abstract: In this work, we focus on the study of the structural and elastic properties of mercury digallium sulfide (HgGa{sub 2}S{sub 4}) at high pressures. This compound belongs to the family of AB{sub 2}X{sub 4} ordered-vacancy compounds and exhibits a tetragonal defect chalcopyrite structure. X-ray diffraction measurements at room temperature have been performed under compression up to 15.1 GPa in a diamond anvil cell. Our measurements have been complemented and compared with ab initio total energy calculations. The axial compressibility and the equation of state of the low-pressure phase of HgGa{sub 2}S{sub 4} have been experimentally and theoretically determined and compared to other related ordered-vacancy compounds. The pressure dependence of the theoretical cation–anion and vacancy-anion distances and compressibilities in HgGa{sub 2}S{sub 4} are reported and discussed in comparison to other related ordered-vacancy compounds. Finally, the pressure dependence of the theoretical elastic constants and elastic moduli of HgGa{sub 2}S{sub 4} has been studied. Our calculations indicate that the low-pressure phase of HgGa{sub 2}S{sub 4} becomes mechanically unstable above 13.8 GPa.

  19. Structural analysis of Herbaspirillum seropedicae lipid-A and of two mutants defective to colonize maize roots.

    Science.gov (United States)

    Serrato, Rodrigo V; Balsanelli, Eduardo; Sassaki, Guilherme L; Carlson, Russell W; Muszynski, Artur; Monteiro, Rose A; Pedrosa, Fábio O; Souza, Emanuel M; Iacomini, Marcello

    2012-11-01

    Lipid-A was isolated by mild acid hydrolysis from lipopolysaccharides extracted from cells of Herbaspirillum seropedicae, strain SMR1, and from two mutants deficient in the biosynthesis of rhamnose (rmlB⁻ and rmlC⁻). Structural analyzes were carried out using MALDI-TOF and derivatization by per-O-trimethylsilylation followed by GC-MS in order to determine monosaccharide and fatty acid composition. De-O-acylation was also performed to determine the presence of N-linked fatty acids. Lipid-A from H. seropedicae SMR1 showed a major structure comprising 2-amino-2-deoxy-glucopyranose-(1→6)-2-amino-2-deoxy-glucopyranose phosphorylated at C4' and C1 positions, each carrying a unit of 4-amino-4-deoxy-arabinose. C2 and C2' positions were substituted by amide-linked 3-hydroxy-dodecanoic acids. Both rhamnose-defective mutants showed similar structure for their lipid-A moieties, except for the lack of 4-amino-4-deoxy-arabinose units attached to phosphoryl groups. Copyright © 2012 Elsevier B.V. All rights reserved.

  20. Influence of ion beam irradiation induced defects on the structural, optical and electrical properties of tellurium nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Narinder [Department of Physics, Chaudhary Devi Lal University, Sirsa, 125055 (India); Department of Physics, Haryana College of Technology & Management, Kaithal, 136027 (India); Kumar, Rajesh [Department of Physics, RN College of Engineering & Technology, Madlauda, 132104 (India); Kumar, Sushil, E-mail: sushil_phys@rediffmail.com [Department of Physics, Chaudhary Devi Lal University, Sirsa, 125055 (India); Chakarvarti, S.K. [Research and Development, Manav Rachana International University, Faridabad, 121001 (India)

    2016-11-01

    In this study, tellurium nanowires were electrodeposited into the polymer membranes from aqueous acidic bath containing HTeO{sub 2}{sup +} ions. The field emission scanning electron microscopy (FESEM) images confirmed the formation of uniform and straight nanowires. The influence of 110 MeV Ni{sup 8+} ion irradiation induced defects on the structural, optical and electrical properties of as–deposited tellurium nanowires were examined using X-ray diffraction (XRD), UV–visible absorption spectroscopy and current–voltage (I–V) measurements. The XRD data depicted the hexagonal phase of tellurium nanowires and further revealed a variation in the intensity of diffraction peaks of ion irradiated nanowires. Williamson–Hall (WH) analysis is used for convoluting the size and microstrain contributions to the width of diffraction peaks. Tellurium nanowires exhibited a distinct absorbance band in the visible region at 686 nm, while this was absent in bulk tellurium. Electrical properties of nanowires are explored on the basis of I–V curves, which revealed a significant increase in the electrical conductivity of irradiated nanowires. A possible mechanism for the enhanced electrical conductivity is the increase in carrier concentration due to thermally excited defects. The defects produced by ion irradiation play a vital role in modifying the properties of semiconducting nanowires. - Highlights: • 110 MeV Ni{sup 8+} ion beam induced changes in tellurium nanowires have been examined. • Nanowires were prepared using template electrodeposition method. • Irradiation improved the electrical conductivity of tellurium nanowires. • Mechanism for enhanced electrical conductivity of irradiated nanowires was discussed.

  1. 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.

  2. Relationship between defect density and charge carrier transport in amorphous and microcrystalline silicon

    International Nuclear Information System (INIS)

    Astakhov, Oleksandr; Carius, Reinhard; Finger, Friedhelm; Petrusenko, Yuri; Borysenko, Valery; Barankov, Dmytro

    2009-01-01

    The influence of dangling-bond defects and the position of the Fermi level on the charge carrier transport properties in undoped and phosphorous doped thin-film silicon with structure compositions all the way from highly crystalline to amorphous is investigated. The dangling-bond density is varied reproducibly over several orders of magnitude by electron bombardment and subsequent annealing. The defects are investigated by electron-spin-resonance and photoconductivity spectroscopies. Comparing intrinsic amorphous and microcrystalline silicon, it is found that the relationship between defect density and photoconductivity is different in both undoped materials, while a similar strong influence of the position of the Fermi level on photoconductivity via the charge carrier lifetime is found in the doped materials. The latter allows a quantitative determination of the value of the transport gap energy in microcrystalline silicon. The photoconductivity in intrinsic microcrystalline silicon is, on one hand, considerably less affected by the bombardment but, on the other hand, does not generally recover with annealing of the defects and is independent from the spin density which itself can be annealed back to the as-deposited level. For amorphous silicon and material prepared close to the crystalline growth regime, the results for nonequilibrium transport fit perfectly to a recombination model based on direct capture into neutral dangling bonds over a wide range of defect densities. For the heterogeneous microcrystalline silicon, this model fails completely. The application of photoconductivity spectroscopy in the constant photocurrent mode (CPM) is explored for the entire structure composition range over a wide variation in defect densities. For amorphous silicon previously reported linear correlation between the spin density and the subgap absorption is confirmed for defect densities below 10 18 cm -3 . Beyond this defect level, a sublinear relation is found i.e., not

  3. SPITZER ANALYSIS OF H II REGION COMPLEXES IN THE MAGELLANIC CLOUDS: DETERMINING A SUITABLE MONOCHROMATIC OBSCURED STAR FORMATION INDICATOR

    International Nuclear Information System (INIS)

    Lawton, B.; Gordon, K. D.; Meixner, M.; Sewilo, M.; Shiao, B.; Babler, B.; Bracker, S.; Meade, M.; Block, M.; Engelbracht, C. W.; Misselt, K.; Bolatto, A. D.; Carlson, L. R.; Hora, J. L.; Robitaille, T.; Indebetouw, R.; Madden, S. C.; Oey, M. S.; Oliveira, J. M.; Vijh, U. P.

    2010-01-01

    H II regions are the birth places of stars, and as such they provide the best measure of current star formation rates (SFRs) in galaxies. The close proximity of the Magellanic Clouds allows us to probe the nature of these star forming regions at small spatial scales. To study the H II regions, we compute the bolometric infrared flux, or total infrared (TIR), by integrating the flux from 8 to 500 μm. The TIR provides a measure of the obscured star formation because the UV photons from hot young stars are absorbed by dust and re-emitted across the mid-to-far-infrared (IR) spectrum. We aim to determine the monochromatic IR band that most accurately traces the TIR and produces an accurate obscured SFR over large spatial scales. We present the spatial analysis, via aperture/annulus photometry, of 16 Large Magellanic Cloud (LMC) and 16 Small Magellanic Cloud (SMC) H II region complexes using the Spitzer Space Telescope's IRAC (3.6, 4.5, 8 μm) and MIPS (24, 70, 160 μm) bands. Ultraviolet rocket data (1500 and 1900 A) and SHASSA Hα data are also included. All data are convolved to the MIPS 160 μm resolution (40 arcsec full width at half-maximum), and apertures have a minimum radius of 35''. The IRAC, MIPS, UV, and Hα spatial analysis are compared with the spatial analysis of the TIR. We find that nearly all of the LMC and SMC H II region spectral energy distributions (SEDs) peak around 70 μm at all radii, from ∼10 to ∼400 pc from the central ionizing sources. As a result, we find the following: the sizes of H II regions as probed by 70 μm are approximately equal to the sizes as probed by TIR (∼70 pc in radius); the radial profile of the 70 μm flux, normalized by TIR, is constant at all radii (70 μm ∼ 0.45TIR); the 1σ standard deviation of the 70 μm fluxes, normalized by TIR, is a lower fraction of the mean (0.05-0.12 out to ∼220 pc) than the normalized 8, 24, and 160 μm normalized fluxes (0.12-0.52); and these results are the same for the LMC and the

  4. Curvature-Controlled Topological Defects

    Directory of Open Access Journals (Sweden)

    Luka Mesarec

    2017-05-01

    Full Text Available Effectively, two-dimensional (2D closed films exhibiting in-plane orientational ordering (ordered shells might be instrumental for the realization of scaled crystals. In them, ordered shells are expected to play the role of atoms. Furthermore, topological defects (TDs within them would determine their valence. Namely, bonding among shells within an isotropic liquid matrix could be established via appropriate nano-binders (i.e., linkers which tend to be attached to the cores of TDs exploiting the defect core replacement mechanism. Consequently, by varying configurations of TDs one could nucleate growth of scaled crystals displaying different symmetries. For this purpose, it is of interest to develop a simple and robust mechanism via which one could control the position and number of TDs in such atoms. In this paper, we use a minimal mesoscopic model, where variational parameters are the 2D curvature tensor and the 2D orientational tensor order parameter. We demonstrate numerically the efficiency of the effective topological defect cancellation mechanism to predict positional assembling of TDs in ordered films characterized by spatially nonhomogeneous Gaussian curvature. Furthermore, we show how one could efficiently switch among qualitatively different structures by using a relative volume v of ordered shells, which represents a relatively simple naturally accessible control parameter.

  5. Defects and Disorder in the Drosophila Eye

    Science.gov (United States)

    Kim, Sangwoo; Carthew, Richard; Hilgenfeldt, Sascha

    Cell division and differentiation tightly control the regular pattern in the normal eye of the Drosophila fruit fly while certain genetic mutations introduce disorder in the form of topological defects. Analyzing data from pupal retinas, we develop a model based on Voronoi construction that explains the defect statistics as a consequence of area variation of individual facets (ommatidia). The analysis reveals a previously unknown systematic long-range area variation that spans the entire eye, with distinct effects on topological disorder compared to local fluctuations. The internal structure of the ommatidia and the stiffness of their interior cells also plays a crucial role in the defect generation. Accurate predictions of the correlation between the area variation and the defect density in both normal and mutant animals are obtained without free parameters. This approach can potentially be applied to cellular systems in many other contexts to identify size-topology correlations near the onset of symmetry breaking. This work has been supported by the NIH (GM098077) and the NSF (Grant No. 1504301).

  6. Strengthening of defected beam–column joints using CFRP

    Directory of Open Access Journals (Sweden)

    Mohamed H. Mahmoud

    2014-01-01

    Full Text Available This paper presents an experimental study for the structural performance of reinforced concrete (RC exterior beam–column joints rehabilitated using carbon-fiber-reinforced polymer (CFRP. The present experimental program consists of testing 10 half-scale specimens divided into three groups covering three possible defects in addition to an adequately detailed control specimen. The considered defects include the absence of the transverse reinforcement within the joint core, insufficient bond length for the beam main reinforcement and inadequate spliced implanted column on the joint. Three different strengthening schemes were used to rehabilitate the defected beam–column joints including externally bonded CFRP strips and sheets in addition to near surface mounted (NSM CFRP strips. The failure criteria including ultimate capacity, mode of failure, initial stiffness, ductility and the developed ultimate strain in the reinforcing steel and CFRP were considered and compared for each group for the control and the CFRP-strengthened specimens. The test results showed that the proposed CFRP strengthening configurations represented the best choice for strengthening the first two defects from the viewpoint of the studied failure criteria. On the other hand, the results of the third group showed that strengthening the joint using NSM strip technique enabled the specimen to outperform the structural performance of the control specimen while strengthening the joints using externally bonded CFRP strips and sheets failed to restore the strengthened joints capacity.

  7. Strengthening of defected beam-column joints using CFRP.

    Science.gov (United States)

    Mahmoud, Mohamed H; Afefy, Hamdy M; Kassem, Nesreen M; Fawzy, Tarek M

    2014-01-01

    This paper presents an experimental study for the structural performance of reinforced concrete (RC) exterior beam-column joints rehabilitated using carbon-fiber-reinforced polymer (CFRP). The present experimental program consists of testing 10 half-scale specimens divided into three groups covering three possible defects in addition to an adequately detailed control specimen. The considered defects include the absence of the transverse reinforcement within the joint core, insufficient bond length for the beam main reinforcement and inadequate spliced implanted column on the joint. Three different strengthening schemes were used to rehabilitate the defected beam-column joints including externally bonded CFRP strips and sheets in addition to near surface mounted (NSM) CFRP strips. The failure criteria including ultimate capacity, mode of failure, initial stiffness, ductility and the developed ultimate strain in the reinforcing steel and CFRP were considered and compared for each group for the control and the CFRP-strengthened specimens. The test results showed that the proposed CFRP strengthening configurations represented the best choice for strengthening the first two defects from the viewpoint of the studied failure criteria. On the other hand, the results of the third group showed that strengthening the joint using NSM strip technique enabled the specimen to outperform the structural performance of the control specimen while strengthening the joints using externally bonded CFRP strips and sheets failed to restore the strengthened joints capacity.

  8. Oxygen defects in amorphous Al{sub 2}O{sub 3}: A hybrid functional study

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Zhendong, E-mail: zhendong.guo@epfl.ch; Ambrosio, Francesco; Pasquarello, Alfredo [Chaire de Simulation à l' Echelle Atomique (CSEA), Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne (Switzerland)

    2016-08-08

    The electronic properties of the oxygen vacancy and interstitial in amorphous Al{sub 2}O{sub 3} are studied via ab initio molecular dynamics simulations and hybrid functional calculations. Our results indicate that these defects do not occur in amorphous Al{sub 2}O{sub 3}, due to structural rearrangements which assimilate the defect structure and cause a delocalization of the associated defect levels. The imbalance of oxygen leads to a nonstoichiometric compound in which the oxygen occurs in the form of O{sup 2–} ions. Intrinsic oxygen defects are found to be unable to trap excess electrons. For low Fermi energies, the formation of peroxy linkages is found to be favored leading to the capture of holes. The relative +2/0 defect levels occur at 2.5 eV from the valence band.

  9. Precursor defect to the vacancy-dioxygen center in Si

    Science.gov (United States)

    Londos, C. A.; Sarlis, N.; Fytros, L. G.; Papastergiou, K.

    1996-03-01

    In a recent paper [Phys. Rev. B 50, 11 531 (1994)] we have tentatively attributed two new infrared bands at 914 cm -1 and 1000 cm-1, in neutron-irradiated Czochralski-grown silicon, to a [VO+Oi] structure that was considered to develop as an intermediate stage in the process of conversion of a VO center to a VO2 complex upon heat treatment. As a continuation of this work, we further investigate [VO+Oi] structure and the formation of intermediate defects. In addition, we present semiempirical calculations of the localized vibrational mode frequencies of the [VO+Oi] defect. The results are consistent with the experimental observations.

  10. Crystal defect studies using x-ray diffuse scattering

    Energy Technology Data Exchange (ETDEWEB)

    Larson, B.C.

    1980-01-01

    Microscopic lattice defects such as point (single atom) defects, dislocation loops, and solute precipitates are characterized by local electronic density changes at the defect sites and by distortions of the lattice structure surrounding the defects. The effect of these interruptions of the crystal lattice on the scattering of x-rays is considered in this paper, and examples are presented of the use of the diffuse scattering to study the defects. X-ray studies of self-interstitials in electron irradiated aluminum and copper are discussed in terms of the identification of the interstitial configuration. Methods for detecting the onset of point defect aggregation into dislocation loops are considered and new techniques for the determination of separate size distributions for vacancy loops and interstitial loops are presented. Direct comparisons of dislocation loop measurements by x-rays with existing electron microscopy studies of dislocation loops indicate agreement for larger size loops, but x-ray measurements report higher concentrations in the smaller loop range. Methods for distinguishing between loops and three-dimensional precipitates are discussed and possibilities for detailed studies considered. A comparison of dislocation loop size distributions obtained from integral diffuse scattering measurements with those from TEM show a discrepancy in the smaller sizes similar to that described above.

  11. Crystal defect studies using x-ray diffuse scattering

    International Nuclear Information System (INIS)

    Larson, B.C.

    1980-01-01

    Microscopic lattice defects such as point (single atom) defects, dislocation loops, and solute precipitates are characterized by local electronic density changes at the defect sites and by distortions of the lattice structure surrounding the defects. The effect of these interruptions of the crystal lattice on the scattering of x-rays is considered in this paper, and examples are presented of the use of the diffuse scattering to study the defects. X-ray studies of self-interstitials in electron irradiated aluminum and copper are discussed in terms of the identification of the interstitial configuration. Methods for detecting the onset of point defect aggregation into dislocation loops are considered and new techniques for the determination of separate size distributions for vacancy loops and interstitial loops are presented. Direct comparisons of dislocation loop measurements by x-rays with existing electron microscopy studies of dislocation loops indicate agreement for larger size loops, but x-ray measurements report higher concentrations in the smaller loop range. Methods for distinguishing between loops and three-dimensional precipitates are discussed and possibilities for detailed studies considered. A comparison of dislocation loop size distributions obtained from integral diffuse scattering measurements with those from TEM show a discrepancy in the smaller sizes similar to that described above

  12. Storm in a Teacup: X-Ray View of an Obscured Quasar and Superbubble

    Science.gov (United States)

    Lansbury, George B.; Jarvis, Miranda E.; Harrison, Chris M.; Alexander, David M.; Del Moro, Agnese; Edge, Alastair C.; Mullaney, James R.; Thomson, Alasdair P.

    2018-03-01

    We present the X-ray properties of the “Teacup AGN” (SDSS J1430+1339), a z = 0.085 type 2 quasar that is interacting dramatically with its host galaxy. Spectral modeling of the central quasar reveals a powerful, highly obscured active galactic nucleus (AGN) with a column density of N H = (4.2–6.5) × 1023 cm‑2 and an intrinsic luminosity of L 2–10 keV = (0.8–1.4) × 1044 erg s‑1. The current high bolometric luminosity inferred (L bol ≈1045–1046 erg s‑1) has ramifications for previous interpretations of the Teacup as a fading/dying quasar. High-resolution Chandra imaging data reveal a ≈10 kpc loop of X-ray emission, cospatial with the “eastern bubble” previously identified in luminous radio and ionized gas (e.g., [O III] line) emission. The X-ray emission from this structure is in good agreement with a shocked thermal gas, with T = (4–8) × 106 K, and there is evidence for an additional hot component with T ≳ 3 × 107 K. Although the Teacup is a radiatively dominated AGN, the estimated ratio between the bubble power and the X-ray luminosity is in remarkable agreement with observations of ellipticals, groups, and clusters of galaxies undergoing AGN feedback.

  13. Defect creation in solids by a decay of electronic excitations

    International Nuclear Information System (INIS)

    Klinger, M.I.; Lushchik, Ch.B.; Mashovets, T.V.; Kholodar', G.A.; Shejnkman, M.K.; Ehlango, M.A.; Kievskij Gosudarstvennyj Univ.; AN Ukrainskoj SSR, Kiev. Inst. Poluprovodnikov)

    1985-01-01

    A new type of radiationless transitions in nonmetallic solids accompanied by neither the extraction of a heat nor the luminescence, but by a large (in comparison with the interatomic distance) displacements of a small number of atoms is discussed. A classification is given of the instabilities (electrostatic, electron-vibrational, structural) leading to a creation of the defects in crystalline and glassy solids. The processes of the defect creation, due to both the decay of self-trapped excitions in ionic crystals and the multiple ionization of atoms near the pre-existing charged centres in semiconductor are described. The mechanisms of the complex defects reconstruction in semiconductors by nonequilibrium charge carriers and by an electron-hole recombination are discussed. The role of charge carriers in a thermal defect generation is considered. A mechanism of the peculiar defect creation in glassy semiconductors is discussed

  14. Oxidation behavior of graphene-coated copper at intrinsic graphene defects of different origins.

    Science.gov (United States)

    Kwak, Jinsung; Jo, Yongsu; Park, Soon-Dong; Kim, Na Yeon; Kim, Se-Yang; Shin, Hyung-Joon; Lee, Zonghoon; Kim, Sung Youb; Kwon, Soon-Yong

    2017-11-16

    The development of ultrathin barrier films is vital to the advanced semiconductor industry. Graphene appears to hold promise as a protective coating; however, the polycrystalline and defective nature of engineered graphene hinders its practical applications. Here, we investigate the oxidation behavior of graphene-coated Cu foils at intrinsic graphene defects of different origins. Macro-scale information regarding the spatial distribution and oxidation resistance of various graphene defects is readily obtained using optical and electron microscopies after the hot-plate annealing. The controlled oxidation experiments reveal that the degree of structural deficiency is strongly dependent on the origins of the structural defects, the crystallographic orientations of the underlying Cu grains, the growth conditions of graphene, and the kinetics of the graphene growth. The obtained experimental and theoretical results show that oxygen radicals, decomposed from water molecules in ambient air, are effectively inverted at Stone-Wales defects into the graphene/Cu interface with the assistance of facilitators.

  15. Electron-spin-resonance study of radiation-induced paramagnetic defects in oxides grown on (100) silicon substrates

    International Nuclear Information System (INIS)

    Kim, Y.Y.; Lenahan, P.M.

    1988-01-01

    We have used electron-spin resonance to investigate radiation-induced point defects in Si/SiO 2 structures with (100) silicon substrates. We find that the radiation-induced point defects are quite similar to defects generated in Si/SiO 2 structures grown on (111) silicon substrates. In both cases, an oxygen-deficient silicon center, the E' defect, appears to be responsible for trapped positive charge. In both cases trivalent silicon (P/sub b/ centers) defects are primarily responsible for radiation-induced interface states. In earlier electron-spin-resonance studies of unirradiated (100) substrate capacitors two types of P/sub b/ centers were observed; in oxides prepared in three different ways only one of these centers, the P/sub b/ 0 defect, is generated in large numbers by ionizing radiation

  16. Topological defect formation in rotating binary dipolar Bose–Einstein condensate

    International Nuclear Information System (INIS)

    Zhang, Xiao-Fei; Han, Wei; Jiang, Hai-Feng; Liu, Wu-Ming; Saito, Hiroki; Zhang, Shou-Gang

    2016-01-01

    We investigate the topological defects and spin structures of a rotating binary Bose–Einstein condensate, which consists of both dipolar and scalar bosonic atoms confined in spin-dependent optical lattices, for an arbitrary orientation of the dipoles with respect to their plane of motion. Our results show that the tunable dipolar interaction, especially the orientation of the dipoles, can be used to control the direction of stripe phase and its related half-vortex sheets. In addition, it can also be used to obtain a regular arrangement of various topological spin textures, such as meron, circular and cross disgyration spin structures. We point out that such topological defects and regular arrangement of spin structures arise primarily from the long-range and anisotropic nature of dipolar interaction and its competition with the spin-dependent optical lattices and rotation. - Highlights: • Effects of both strength and orientation of the dipoles are discussed. • Various topological defects can be formed in different parameter regions. • Present one possible way to obtain regular arrangements of spin textures.

  17. Atomic defects and doping of monolayer NbSe2

    OpenAIRE

    Nguyen, Lan; Komsa, Hannu-Pekka; Khestanova, Ekaterina; Kashtiban, Reza J; Peters, Jonathan J.P.; Lawlor, Sean; Sanchez, Ana M.; Sloan, Jeremy; Gorbachev, Roman; Grigorieva, Irina; Krasheninnikov, Arkady V.; Haigh, Sarah

    2017-01-01

    We have investigated the structure of atomic defects within monolayer NbSe2 encapsulated in graphene by combining atomic resolution transmission electron microscope imaging, density functional theory (DFT) calculations, and strain mapping using geometric phase analysis. We demonstrate the presence of stable Nb and Se monovacancies in monolayer material and reveal that Se monovacancies are the most frequently observed defects, consistent with DFT calculations of their formation energy. We reve...

  18. A study of complex defects failing by fatigue, ductile tearing and cleavage

    International Nuclear Information System (INIS)

    Bezensek, B.; Ren, Z.; Hancock, J.W.

    2001-01-01

    Defect assessment procedures ensure the structural integrity of plant, which may contain complex defects. The present work addresses complex defects with re-entrant sectors, which develop from the interaction of two co-planar surface breaking defects in fatigue. Experimental studies show rapid fatigue growth and amplified crack driving forces in the re-entrant sector. This leads to the rapid evolution of the complex crack into a bounding semielliptical defect. Experiments involving ductile tearing of cracks with a re-entrant sector show that tearing initiates in the re-entrant sector and that the defect evolves into a bounding semielliptical defect. Cleavage failures of defects with re-entrant sectors indicate the re-characterisation procedure is only conservative after invoking constraint arguments. The study confirms the conservatism inherent in the re-characterisation rules of assessment procedures, such as BS 7910 [1] and ASME Section XI [2] for complex defects extending by fatigue or ductile tearing. A potentially non-conservative situation exists for defects with re-entrant sectors failing by cleavage at small fractions of the limit load.(author)

  19. Effects of in-cascade defect clustering on near-term defect evolution

    Energy Technology Data Exchange (ETDEWEB)

    Heinisch, H.L. [Pacific Northwest National Lab., Richland, WA (United States)

    1997-08-01

    The effects of in-cascade defect clustering on the nature of the subsequent defect population are being studied using stochastic annealing simulations applied to cascades generated in molecular dynamics (MD) simulations. The results of the simulations illustrates the strong influence of the defect configuration existing in the primary damage state on subsequent defect evolution. The large differences in mobility and stability of vacancy and interstitial defects and the rapid one-dimensional diffusion of small, glissile interstitial loops produced directly in cascades have been shown to be significant factors affecting the evolution of the defect distribution. In recent work, the effects of initial cluster sizes appear to be extremely important.

  20. Three-dimensional echocardiographic assessment of atrial septal defects

    Directory of Open Access Journals (Sweden)

    Charles German

    2015-01-01

    Full Text Available Echocardiography provides a useful tool in the diagnosis of many congenital heart diseases, including atrial septal defects, and aids in further delineating treatment options. Although two-dimensional echocardiography has been the standard of care in this regard, technological advancements have made three-dimensional echocardiography possible, and the images obtained in this new imaging modality are able to accurately portray the morphology, location, dimensions, and dynamic changes of defects and many other heart structures during the cardiac cycle.