WorldWideScience

Sample records for local defect structures

  1. 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.

  2. 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.

  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. 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.

  5. 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

  6. 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.

  7. 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.

  8. 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

  9. Electronic structure of point defects in semiconductors

    International Nuclear Information System (INIS)

    Bruneval, Fabien

    2014-01-01

    trace concentration (of the order of one part per million). However, owing to the heavy burden of the quantum-mechanical electronic structure calculations, which grow very rapidly with the number of electrons, the present day simulations do not easily exceed a few hundred atoms nowadays. This induces effective defect concentrations of the order of one percent which are very far from the diluted defects observed in the experiments. The extrapolation of high concentrations to low concentrations is difficult because defects in semiconductors often bear a net electric charge which induces long-range interactions between the spuriously interacting charged defects. The first part of my work presents the techniques available in this area, improvements in the techniques and some understanding of these spurious interactions. The second topic addressed in this memoir focuses on improving the electronic structure of defects in semiconductors and insulators. Defects in these materials introduce discrete electronic levels within the band gap of the pristine bulk material. These electronic levels correspond to the electrons involved in the defect states. Their wave function is more or less localized around the defect region and the filling of the state may also vary with the thermodynamic conditions (Fermi level). These levels inside the band gap govern the modification of the properties of electronic and optical transport. Unfortunately the standard ab initio approaches, in the context of Density Functional Theory (DFT), are unable to get the correct band gaps of semiconductors and insulators. This is why many defect properties cannot be predicted with certainty within these approaches. This second part demonstrates how the introduction of the many-body perturbation theory in the so-called GW approximation solves the problem of band gaps and thus allows one to obtain more reliable defect properties. Of course, the field of ab initio electronic structure for defects is far from being

  10. Modeling local structure using crystal field and spin Hamiltonian parameters: the tetragonal FeK3+-OI2- defect center in KTaO3 crystal

    International Nuclear Information System (INIS)

    Gnutek, P; Rudowicz, C; Yang, Z Y

    2009-01-01

    The local structure and the spin Hamiltonian (SH) parameters, including the zero-field-splitting (ZFS) parameters D and (a+2F/3), and the Zeeman g factors g || and g perpendicular , are theoretically investigated for the Fe K 3+ -O I 2- center in KTaO 3 crystal. The microscopic SH (MSH) parameters are modeled within the framework of the crystal field (CF) theory employing the CF analysis (CFA) package, which also incorporates the MSH modules. Our approach takes into account the spin-orbit interaction as well as the spin-spin and spin-other-orbit interactions omitted in previous studies. The superposition model (SPM) calculations are carried out to provide input CF parameters for the CFA/MSH package. The combined SPM-CFA/MSH approach is used to consider various structural models for the Fe K 3+ -O I 2- defect center in KTaO 3 . This modeling reveals that the off-center displacement of the Fe 3+ ions, Δ 1 (Fe 3+ ), combined with an inward relaxation of the nearest oxygen ligands, Δ 2 (O 2- ), and the existence of the interstitial oxygen O I 2- give rise to a strong tetragonal crystal field. This finding may explain the large ZFS experimentally observed for the Fe K 3+ -O I 2- center in KTaO 3 . Matching the theoretical MSH predictions with the available structural data as well as electron magnetic resonance (EMR) and optical spectroscopy data enables predicting reasonable ranges of values of Δ 1 (Fe 3+ ) and Δ 2 (O 2- ) as well as the possible location of O I 2- ligands around Fe 3+ ions in KTaO 3 . The defect structure model obtained using the SPM-CFA/MSH approach reproduces very well the ranges of the experimental SH parameters D, g || and g perpendicular and importantly yields not only the correct magnitude of D but also the sign, unlike previous studies. More reliable predictions may be achieved when experimental data on (a+2F/3) and/or crystal field energy levels become available. Comparison of our results with those arising from alternative models existing

  11. 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...

  12. Local defect correction for boundary integral equation methods

    NARCIS (Netherlands)

    Kakuba, G.; Anthonissen, M.J.H.

    2014-01-01

    The aim in this paper is to develop a new local defect correction approach to gridding for problems with localised regions of high activity in the boundary element method. The technique of local defect correction has been studied for other methods as finite difference methods and finite volume

  13. Local order dynamics: its application to the study of atomic mobility, of point defects in crystalline alloys, and of structural relaxation in amorphous alloys

    International Nuclear Information System (INIS)

    Balanzat, Emmanuel

    1983-01-01

    This research thesis addressed the study of the atomic mobility mechanism and of the atom movement dynamics in the case of crystalline alloys and of amorphous alloys. The first part is based on a previous study performed on an α-Cu 70 -Zn 30 crystalline alloy, and addresses the case of an α-Au 70 -Ni 30 alloy. The specificity of this case relies in the fact that the considered solid solution is metastable and susceptible to de-mixing in the considered temperature range. This case of off-equilibrium crystalline alloy is at the crossroad between steady crystalline alloys and metallic glasses which are studied in the second part. The third part addresses the irradiation of metallic amorphous alloys by fast particles (neutrons or electrons). The author tried to characterise atomic defects induced by irradiation and to compare them with pre-existing ones. He studied how these defects may change atomic mobility, and, more generally, to which extent the impact of energetic particles could modify local order status

  14. 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.

  15. 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.

  16. Irradiation of amorphous metallic alloys: defect production and local order evolution

    International Nuclear Information System (INIS)

    Hillairet, J.; Balanzat, E.; Audouard, A.; Jousset, J.C.

    1983-06-01

    This paper deals with the problem of the nature and dynamic characteristics of the ''defects'' which are produced in metallic glasses as a result of irradiation with fast particles. It discusses also the modifications in the state of local order and other structural changes brought by the creation and migration of these defects [fr

  17. Local defect resonance for sensitive non-destructive testing

    Science.gov (United States)

    Adebahr, W.; Solodov, I.; Rahammer, M.; Gulnizkij, N.; Kreutzbruck, M.

    2016-02-01

    Ultrasonic wave-defect interaction is a background of ultrasound activated techniques for imaging and non-destructive testing (NDT) of materials and industrial components. The interaction, primarily, results in acoustic response of a defect which provides attenuation and scattering of ultrasound used as an indicator of defects in conventional ultrasonic NDT. The derivative ultrasonic-induced effects include e.g. nonlinear, thermal, acousto-optic, etc. responses also applied for NDT and defect imaging. These secondary effects are normally relatively inefficient so that the corresponding NDT techniques require an elevated acoustic power and stand out from conventional ultrasonic NDT counterparts for their specific instrumentation particularly adapted to high-power ultrasonic. In this paper, a consistent way to enhance ultrasonic, optical and thermal defect responses and thus to reduce an ultrasonic power required is suggested by using selective ultrasonic activation of defects based on the concept of local defect resonance (LDR). A strong increase in vibration amplitude at LDR enables to reliably detect and visualize the defect as soon as the driving ultrasonic frequency is matched to the LDR frequency. This also provides a high frequency selectivity of the LDR-based imaging, i.e. an opportunity of detecting a certain defect among a multitude of other defects in material. Some examples are shown how to use LDR in non-destructive testing techniques, like vibrometry, ultrasonic thermography and shearography in order to enhance the sensitivity of defect visualization.

  18. Localized topological states in Bragg multihelicoidal fibers with twist defects

    Science.gov (United States)

    Alexeyev, C. N.; Lapin, B. P.; Milione, G.; Yavorsky, M. A.

    2016-06-01

    We have studied the influence of a twist defect in multihelicoidal Bragg fibers on the emerging of localized defect modes. We have shown that if such a fiber is excited with a Gaussian beam this leads to the appearance of a defect-localized topological state, whose topological charge coincides with the order of rotational symmetry of the fiber's refractive index. We have shown that this effect has a pronounced crossover behavior. We have also formulated a principle of creating the systems that can nestle defect-localized topologically charged modes. According to this principle, such systems have to possess topological activity, that is, the ability to change the topological charge of the incoming field, and operate in the Bragg regime.

  19. 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

  20. 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.

  1. Non-perturbative embedding of local defects in crystalline materials

    International Nuclear Information System (INIS)

    Cances, Eric; Deleurence, Amelie; Lewin, Mathieu

    2008-01-01

    We present a new variational model for computing the electronic first-order density matrix of a crystalline material in the presence of a local defect. A natural way to obtain variational discretizations of this model is to expand the difference Q between the density matrix of the defective crystal and the density matrix of the perfect crystal, in a basis of precomputed maximally localized Wannier functions of the reference perfect crystal. This approach can be used within any semi-empirical or density functional theory framework

  2. 3D Defect Localization on Exothermic Faults within Multi-Layered Structures Using Lock-In Thermography: An Experimental and Numerical Approach.

    Science.gov (United States)

    Bae, Ji Yong; Lee, Kye-Sung; Hur, Hwan; Nam, Ki-Hwan; Hong, Suk-Ju; Lee, Ah-Yeong; Chang, Ki Soo; Kim, Geon-Hee; Kim, Ghiseok

    2017-10-13

    Micro-electronic devices are increasingly incorporating miniature multi-layered integrated architectures. However, the localization of faults in three-dimensional structure remains challenging. This study involved the experimental and numerical estimation of the depth of a thermally active heating source buried in multi-layered silicon wafer architecture by using both phase information from an infrared microscopy and finite element simulation. Infrared images were acquired and real-time processed by a lock-in method. It is well known that the lock-in method can increasingly improve detection performance by enhancing the spatial and thermal resolution of measurements. Operational principle of the lock-in method is discussed, and it is represented that phase shift of the thermal emission from a silicon wafer stacked heat source chip (SSHSC) specimen can provide good metrics for the depth of the heat source buried in SSHSCs. Depth was also estimated by analyzing the transient thermal responses using the coupled electro-thermal simulations. Furthermore, the effects of the volumetric heat source configuration mimicking the 3D through silicon via integration package were investigated. Both the infrared microscopic imaging with the lock-in method and FE simulation were potentially useful for 3D isolation of exothermic faults and their depth estimation for multi-layered structures, especially in packaged semiconductors.

  3. Local defect correction for boundary integral equation methods

    NARCIS (Netherlands)

    Kakuba, G.; Anthonissen, M.J.H.

    2013-01-01

    This paper presents a new approach to gridding for problems with localised regions of high activity. The technique of local defect correction has been studied for other methods as ¿nite difference methods and ¿nite volume methods. In this paper we develop the technique for the boundary element

  4. Tunable single photonic defect-mode in cholesteric liquid crystals with laser-induced local modifications of helix

    International Nuclear Information System (INIS)

    Yoshida, Hiroyuki; Lee, Chee Heng; Fujii, Akihiko; Ozaki, Masanori

    2006-01-01

    The authors demonstrate a tunable single photonic defect-mode in a single cholesteric liquid crystal material based on a structural defect introduced by local modification of the helix. An unpolymerized region of cholesteric liquid crystal acting as the defect was left between two polymerized regions via a two-photon excitation laser-lithography process. Upon polymerization, the cholesteric liquid crystal helix elongated and became thermally stable, and a single photonic defect mode was exhibited due to the contrast in the helix pitch at the defect. The defect mode showed tunability upon heating, and a 36 nm redshift was seen over a temperature range of 30 deg. C

  5. 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

  6. 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.

  7. 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...

  8. Localized electromagnetic modes and transmission spectrum of one-dimensional photon crystal with lattice defects

    CERN Document Server

    Vetrov, S Y

    2001-01-01

    The properties of the localized electromagnetic modes in the one-dimensional photon crystal with a structural defective layer are studied. The anisotropic layer of the nematic liquid layer is considered as the defect. It is shown that the frequency and coefficient of the defective modes attenuation essentially depend on the defective layer thickness and nematic optical axis orientation. The spectrum of the photon crystal transmittance with one or two defects in the lattice is studied. The possibility of controlling the the photon crystal transmittance spectrum on the count of changing the orientation of the nematic optical axis, for example, through the external electric field is shown with an account of strong anisotropy of the dielectric permittivity

  9. Reconstruction of Nasal Skin Cancer Defects with Local Flaps

    Directory of Open Access Journals (Sweden)

    A. C. Salgarelli

    2011-01-01

    Full Text Available Reconstruction of nasal defects must preserve the integrity of complex facial functions and expressions, as well as facial symmetry and a pleasing aesthetic outcome. The reconstructive modality of choice will depend largely on the location, size, and depth of the surgical defect. Individualized therapy is the best course, and numerous flaps have been designed to provide coverage of a variety of nasal-specific defects. We describe our experience in the aesthetic reconstruction of nasal skin defects following oncological surgery. The use of different local flaps for nasal skin cancer defects is reported in 286 patients. Complications in this series were one partial flap dehiscence that healed by secondary intention, two forehead flaps, and one bilobed flap with minimal rim necrosis that resulted in an irregular scar requiring revision. Aesthetic results were deemed satisfactory by all patients and the operating surgeons. The color and texture matches were aesthetically good, and the nasal contour was distinct in all patients. All scars were inconspicuous and symmetrical. No patient had tenting or a flat nose.

  10. Reconstruction of Nasal Skin Cancer Defects with Local Flaps

    International Nuclear Information System (INIS)

    Salgarelli, A. C.; Bellini, P.; Multinu, A.; Consolo, U.; Magnoni, C.; Francomano, M.; Fantini, F.; Seidenari, S.

    2011-01-01

    Reconstruction of nasal defects must preserve the integrity of complex facial functions and expressions, as well as facial symmetry and a pleasing aesthetic outcome. The reconstructive modality of choice will depend largely on the location, size, and depth of the surgical defect. Individualized therapy is the best course, and numerous flaps have been designed to provide coverage of a variety of nasal-specific defects. We describe our experience in the aesthetic reconstruction of nasal skin defects following oncological surgery. The use of different local flaps for nasal skin cancer defects is reported in 286 patients. Complications in this series were one partial flap dehiscence that healed by secondary intention, two forehead flaps, and one bilobed flap with minimal rim necrosis that resulted in an irregular scar requiring revision. Aesthetic results were deemed satisfactory by all patients and the operating surgeons. The color and texture matches were aesthetically good, and the nasal contour was distinct in all patients. All scars were inconspicuous and symmetrical. No patient had tenting or a flat nose.

  11. 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.

  12. Plasma-based localized defect for switchable coupling applications

    International Nuclear Information System (INIS)

    Varault, Stefan; Gabard, Benjamin; Sokoloff, Jerome; Bolioli, Sylvain

    2011-01-01

    We report in this paper experimental measurements in order to validate the concept of switchable electromagnetic band gap filters based on plasma capillaries in the microwave regime. The plasma tube is embedded inside the structure to create a bistable (plasma on or off) punctual defect. We first investigate two kinds of discharge tubes: Ar-Hg and pure Ne, which we then use to experimentally achieve plasma-based reconfigurable applications, namely, a two-port coupler and a two-port demultiplexer.

  13. 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...

  14. Localization of holes near charged defects in orbitally degenerate, doped Mott insulators

    Science.gov (United States)

    Avella, Adolfo; Oleś, Andrzej M.; Horsch, Peter

    2018-05-01

    We study the role of charged defects, disorder and electron-electron (e-e) interactions in a multiband model for t2g electrons in vanadium perovskites R1-xCaxVO3 (R = La,…,Y). By means of unrestricted Hartree-Fock calculations, we find that the atomic multiplet structure persists up to 50% Ca doping. Using the inverse participation number, we explore the degree of localization and its doping dependence for all electronic states. The observation of strongly localized wave functions is consistent with our conjecture that doped holes form spin-orbital polarons that are strongly bound to the charged Ca2+ defects. Interestingly, the long-range e-e interactions lead to a discontinuity in the wave function size across the chemical potential, where the electron removal states are more localized than the addition states.

  15. Simultaneous large band gaps and localization of electromagnetic and elastic waves in defect-free quasicrystals.

    Science.gov (United States)

    Yu, Tianbao; Wang, Zhong; Liu, Wenxing; Wang, Tongbiao; Liu, Nianhua; Liao, Qinghua

    2016-04-18

    We report numerically large and complete photonic and phononic band gaps that simultaneously exist in eight-fold phoxonic quasicrystals (PhXQCs). PhXQCs can possess simultaneous photonic and phononic band gaps over a wide range of geometric parameters. Abundant localized modes can be achieved in defect-free PhXQCs for all photonic and phononic polarizations. These defect-free localized modes exhibit multiform spatial distributions and can confine simultaneously electromagnetic and elastic waves in a large area, thereby providing rich selectivity and enlarging the interaction space of optical and elastic waves. The simulated results based on finite element method show that quasiperiodic structures formed of both solid rods in air and holes in solid materials can simultaneously confine and tailor electromagnetic and elastic waves; these structures showed advantages over the periodic counterparts.

  16. Defect localization, characterization and reliability assessment in emerging photovoltaic devices.

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Benjamin Bing-Yeh [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Cruz-Campa, Jose Luis [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Haase, Gad S. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Tangyunyong, Paiboon [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Colr, Edward Isaac [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Okandan, Murat [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Nielson, Gregory N. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2014-04-01

    Microsystems-enabled photovoltaics (MEPV) can potentially meet increasing demands for light-weight, portable, photovoltaic solutions with high power density and efficiency. The study in this report examines failure analysis techniques to perform defect localization and evaluate MEPV modules. CMOS failure analysis techniques, including electroluminescence, light-induced voltage alteration, thermally-induced voltage alteration, optical beam induced current, and Seabeck effect imaging were successfully adapted to characterize MEPV modules. The relative advantages of each approach are reported. In addition, the effects of exposure to reverse bias and light stress are explored. MEPV was found to have good resistance to both kinds of stressors. The results form a basis for further development of failure analysis techniques for MEPVs of different materials systems or multijunction MEPVs. The incorporation of additional stress factors could be used to develop a reliability model to generate lifetime predictions for MEPVs as well as uncover opportunities for future design improvements.

  17. Safety assessment of pipes with multiple local wall thinning defects under pressure and bending moment

    International Nuclear Information System (INIS)

    Peng Jian; Zhou Changyu; Xue Jilin; Dai Qiao; He Xiaohua

    2011-01-01

    The safety assessment of pipes with local wall thinning defects is highly important in engineering. Most attention has been paid on the safety assessment of pipe with single local wall thinning defect, while the studies about multiple local wall thinning defects are not nearly enough. However, the interaction of multiple local wall thinning defects in some conditions is great, and may have a great impact on the safety assessment. In the present standard API 579/ASME FFS, the safety assessment of pipes with multiple local wall thinning defects is given, while as well as the influence of load condition, the influences of arrangement and relative depth of defects are ignored, which may influence the safety assessment considerably. In this paper, the influence of the interaction between multiple local wall thinning defects on the remaining strength of pipes at different arrangements and depths of defects under different load conditions (pressure, tension-bending moment and compression-bending moment) are studied. A quantified index is defined to describe the interaction between defects quantitatively. For different arrangements and relative depths of defects, based on a limit value 0.05 of the quantified index of the interaction between defects, a relatively systematic safety assessment of pipes with multiple local wall thinning defects under different load conditions has been proposed.

  18. 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

  19. 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.

  20. 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.

  1. Application of Learning Methods to Local Electric Field Distributions in Defected Dielectric Materials

    Science.gov (United States)

    Ferris, Kim; Jones, Dumont

    2014-03-01

    Local electric fields reflect the structural and dielectric fluctuations in a semiconductor, and affect the material performance both for electron transport and carrier lifetime properties. In this paper, we use the LOCALF methodology with periodic boundary conditions to examine the local electric field distributions and its perturbations for II-VI (CdTe, Cd(1-x)Zn(x)Te) semiconductors, containing Te inclusions and small fluctuations in the local dielectric susceptibility. With inclusion of the induced-field term, the electric field distribution shows enhancements and diminishments compared to the macroscopic applied field, reflecting the microstructure characteristics of the dielectric. Learning methods are applied to these distributions to assess the spatial extent of the perturbation, and determine an electric field defined defect size as compared to its physical dimension. Critical concentrations of defects are assessed in terms of defect formation energies. This work was supported by the US Department of Homeland Security, Domestic Nuclear Detection Office, under competitively awarded contract/IAA HSHQDC-08-X-00872-e. This support does not constitute an express or implied endorsement on the part of the Gov't.

  2. Exact correlators on the Wilson loop in N=4 SYM: localization, defect CFT, and integrability

    Science.gov (United States)

    Giombi, Simone; Komatsu, Shota

    2018-05-01

    We compute a set of correlation functions of operator insertions on the 1 /8 BPS Wilson loop in N=4 SYM by employing supersymmetric localization, OPE and the Gram-Schmidt orthogonalization. These correlators exhibit a simple determinant structure, are position-independent and form a topological subsector, but depend nontrivially on the 't Hooft coupling and the rank of the gauge group. When applied to the 1 /2 BPS circular (or straight) Wilson loop, our results provide an infinite family of exact defect CFT data, including the structure constants of protected defect primaries of arbitrary length inserted on the loop. At strong coupling, we show precise agreement with a direct calculation using perturbation theory around the AdS2 string worldsheet. We also explain the connection of our results to the "generalized Bremsstrahlung functions" previously computed from integrability techniques, reproducing the known results in the planar limit as well as obtaining their finite N generalization. Furthermore, we show that the correlators at large N can be recast as simple integrals of products of polynomials (known as Q-functions) that appear in the Quantum Spectral Curve approach. This suggests an interesting interplay between localization, defect CFT and integrability.

  3. 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.)

  4. 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.

  5. 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

  6. 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.

  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. 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.

  10. Production defects in marine composite structures

    DEFF Research Database (Denmark)

    Hayman, Brian; Berggreen, Christian; Tsouvalis, Nicholas G.

    2007-01-01

    Composite structures are often used when there is a requirement for low weight. Then a key aspect is to be able to take full advantage of the material and utilise it to its limits. To do this it is important to achieve as low a variability as possible in the manufacture of such structures...

  11. 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).

  12. Defect-induced local variation of crystal phase transition temperature in metal-halide perovskites.

    Science.gov (United States)

    Dobrovolsky, Alexander; Merdasa, Aboma; Unger, Eva L; Yartsev, Arkady; Scheblykin, Ivan G

    2017-06-26

    Solution-processed organometal halide perovskites are hybrid crystalline semiconductors highly interesting for low-cost and efficient optoelectronics. Their properties are dependent on the crystal structure. Literature shows a variety of crystal phase transition temperatures and often a spread of the transition over tens of degrees Kelvin. We explain this inconsistency by demonstrating that the temperature of the tetragonal-to-orthorhombic phase transition in methylammonium lead triiodide depends on the concentration and nature of local defects. Phase transition in individual nanowires was studied by photoluminescence microspectroscopy and super-resolution imaging. We propose that upon cooling from 160 to 140 K, domains of the crystal containing fewer defects stay in the tetragonal phase longer than highly defected domains that readily transform to the high bandgap orthorhombic phase at higher temperatures. The existence of relatively pure tetragonal domains during the phase transition leads to drastic photoluminescence enhancement, which is inhomogeneously distributed across perovskite microcrystals.Understanding crystal phase transition in materials is of fundamental importance. Using luminescence spectroscopy and super-resolution imaging, Dobrovolsky et al. study the transition from the tetragonal to orthorhombic crystal phase in methylammonium lead triiodide nanowires at low temperature.

  13. 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

  14. Local administration of autologous platelet-rich plasma in a female patient with skin ulcer defect

    Directory of Open Access Journals (Sweden)

    S M Noskov

    2011-01-01

    Full Text Available The paper describes a clinical observation of the efficiency of local therapy with autologous platelet-rich plasma for .skin ulcer defect in a female with chronic lymphocytic leukemia

  15. Localized persistent spin currents in defect-free quasiperiodic rings with Aharonov–Casher effect

    International Nuclear Information System (INIS)

    Qiu, R.Z.; Chen, C.H.; Cheng, Y.H.; Hsueh, W.J.

    2015-01-01

    We propose strongly localized persistent spin current in one-dimensional defect-free quasiperiodic Thue–Morse rings with Aharonov–Casher effect. The results show that the characteristics of these localized persistent currents depend not only on the radius filling factor, but also on the strength of the spin–orbit interaction. The maximum persistent spin currents in systems always appear in the ring near the middle position of the system array whether or not the Thue–Morse rings array is symmetrical. The magnitude of the persistent currents is proportional to the sharpness of the resonance peak, which is dependent on the bandwidth of the allowed band in the band structure. The maximum persistent spin currents also increase exponentially as the generation order of the system increases. - Highlights: • Strongly localized persistent spin current in quasiperiodic AC rings is proposed. • Localized persistent spin currents are much larger than those produced by traditional mesoscopic rings. • Characteristics of the localized persistent currents depend on the radius filling factor and SOI strength. • The maximum persistent current increases exponentially with the system order. • The magnitude of the persistent currents is related to the sharpness of the resonance

  16. Localized structures in vibrated emulsions

    Science.gov (United States)

    Falcón, Claudio; Bruggeman, Jake; Pasquali, Matteo; Deegan, Robert D.

    2012-04-01

    We report our observations of localized structures in a thin layer of an emulsion subjected to vertical oscillations. We observe persistent holes, which are voids that span the layer depth, and kinks, which are fronts between regions with and without fluid. These structures form in response to a finite amplitude perturbation. Combining experimental and rheological measurements, we argue that the ability of these structures to withstand the hydrostatic pressure of the surrounding fluid is due to convection within their rim. For persistent holes the oscillatory component of the convection generates a normal stress which opposes contraction, while for kinks the steady component of the convection generates a shear stress which opposes the hydrostatic stress of the surrounding fluid.

  17. Fuel defect detection, localization and removal in Bruce Power units 3 through 8

    International Nuclear Information System (INIS)

    Stone, R.; Armstrong, J.; Iglesias, F.; Oduntan, R.; Lewis, B.

    2005-01-01

    Fuel element defects are occurring in Bruce 'A' and Bruce 'B' Units. A root-cause investigation is ongoing, however, a solution is not yet in-hand. Fuel defect management efforts have been undertaken, therefore, in the interim. Fuel defect management tools are in-place for all Bruce Units. These tools can be categorized as analysis-based or operations-based. Analysis-based tools include computer codes used primarily for fuel defect characterization, while operations-based tools include Unit-specific delayed-neutron ('DN') monitoring systems and gaseous fission product ('GFP') monitoring systems. Operations-based tools are used for fuel defect detection, localization and removal activities. Fuel and Physics staff use defect detection, localization and removal methodologies and guidelines to disposition fuel defects. Methodologies are 'standardized' or 'routine' procedures for implementing analysis-based and operations-based tools to disposition fuel defects during Unit start-up operation and during operation at high steady-state power levels. Guidelines at present serve to supplement fuel defect management methodologies during Unit power raise. (author)

  18. 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

  19. 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

  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. 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.

  3. 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

  4. Ferromagnetically coupled local moments along an extended line defect in graphene

    Science.gov (United States)

    White, Carter T.; Vasudevan, Smitha; Gunlycke, Daniel

    2011-03-01

    Recently an extended line defect was observed composed of octagonal and pentagonal carbon rings embedded in a graphene sheet [Nat. Nanotech. 5, 326 (2010)]. We report results of studies we have made of this defect using both first-principles and semi-empirical methods. Two types of boundary-localized states arising from the defect are identified. The first (second) type has eigenstates with wavefunctions that are anti- symmetric (symmetric) with respect to a mirror plane that is perpendicular to the graphene sheet and passes through the line defect center line. The boundary-localized anti-symmetric states are shown to be intimately connected to the zigzag edge states of semi-infinite graphene. They exhibit little dispersion along the defect line and lie close to the Fermi level giving rise to a spontaneous spin polarization along the defect once electron-electron interactions are included at the level of a mean field approximation to a Hubbard Model. Within this approach, symmetry requires that the principal moments couple ferromagnetically both along and across the line defect leading to approximately 2/3 more up than down spin electrons per defect repeat unit. This work was supported by ONR, directly and through NRL.

  5. 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...

  6. 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

  7. 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

  8. 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...

  9. 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

  10. 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.)

  11. Influence of defect size and localization on the engagement of reverse Hill-Sachs lesions.

    Science.gov (United States)

    Moroder, Philipp; Runer, Armin; Kraemer, Manuel; Fierlbeck, Johann; Niederberger, Alfred; Cotofana, Sebastian; Vasvari, Imre; Hettegger, Bernhard; Tauber, Mark; Hurschler, Christof; Resch, Herbert

    2015-03-01

    Reverse Hill-Sachs (RHS) lesions can cause recurrent posterior shoulder instability because of engagement with the posterior glenoid rim; however, the effect of defect size and localization have yet to be determined. Both size and localization are critical for the engagement of an RHS defect with the posterior glenoid rim. Controlled laboratory study. Ten RHS defects with predefined extent and localization were created through an anterolateral rotator cuff sparing approach in 10 fresh-frozen cadaveric shoulder specimens using a custom-made saw guide. Computed tomography scans of all specimens were completed, and standardized measurements were performed to determine the size (alpha angle) and localization (beta angle) of the defect as well as a combination of both parameters (gamma angle). Internal rotation motions were imposed on the shoulder joint in different arm positions and with varying amount of posterior translation by means of a robot-assisted shoulder simulator. The association between engagement of the defects and the defined parameters (alpha, beta, and gamma angles) was analyzed. In 0° of abduction, a cutoff value between engaging and nonengaging defects of 37.5° for the alpha angle (100% sensitivity; 75% specificity; area under the curve [AUC], 0.875; P = .055) and 36.5° for the beta angle (100% sensitivity; 25% specificity; AUC, 0.708; P = .286) was determined. The gamma angle showed the highest discriminatory power (AUC, 0.938; P = .025) with a cutoff value of 85.5° rendering 100% sensitivity and 75% specificity in the prediction of engagement. An increase in the applied posterior translation force decreased the degrees of internal rotation necessary before engagement occurred. No engagement occurred during internal rotation with the arm in 60° of abduction or 60° of flexion. The size and localization of RHS defects are both critical factors for engagement. The combination of both parameters in terms of the gamma angle measurement might be a

  12. 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...

  13. 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.

  14. Non-Destructive Evaluation of Kissing Bonds using Local Defect Resonance (LDR) Spectroscopy: A Simulation Study

    Science.gov (United States)

    Delrue, S.; Tabatabaeipour, M.; Hettler, J.; Van Den Abeele, K.

    With the growing demand from industry to optimize and further develop existing Non-Destructive Testing & Evaluation (NDT&E) techniques or new methods to detect and characterize incipient damage with high sensitivity and increased quality, ample efforts have been devoted to better understand the typical behavior of kissing bonds, such as delaminations and cracks. Recently, it has been shown experimentally that the nonlinear ultrasonic response of kissing bonds could be enhanced by using Local Defect Resonance (LDR) spectroscopy. LDR spectroscopy is an efficient NDT technique that takes advantage of the characteristic fre- quencies of the defect (defect resonances) in order to provide maximum acoustic wave-defect interaction. In fact, for nonlinear methodologies, the ultrasonic excitation of the sample should occur at either multiples or integer ratios of the characteristic defect resonance frequencies, in order to obtain the highest signal-to-noise response in the nonlinear LDR spectroscopy. In this paper, the potential of using LDR spectroscopy for the detection, localization and characterization of kissing bonds is illustrated using a 3D simulation code for elastic wave propagation in materials containing closed but dynamically active cracks or delaminations. Using the model, we are able to define an appropriate method, based on the Scaling Subtraction Method (SSM), to determine the local defect resonance frequencies of a delamination in a composite plate and to illustrate an increase in defect nonlinearity due to LDR. The simulation results will help us to obtain a better understanding of the concept of LDR and to assist in the further design and testing of LDR spectroscopy for the detection, localization and characterization of kissing bonds.

  15. Stress fields and energy of disclination-type defects in zones of localized elastic distortions

    Science.gov (United States)

    Sukhanov, Ivan I.; Tyumentsev, Alexander N.; Ditenberg, Ivan A.

    2016-11-01

    This paper studies theoretically the elastically deformed state and analyzes deformation mechanisms in nanocrystals in the zones of localized elastic distortions and related disclination-type defects, such as dipole, quadrupole and multipole of partial disclinations. Significant differences in the energies of quadrupole and multipole configurations in comparison with nanodipole are revealed. The mechanism of deformation localization in the field of elastic distortions is proposed, which is a quasi-periodic sequence of formation and relaxation of various disclination ensembles with a periodic change in the energy of the defect.

  16. A local environment approach for deep-level defects in semiconductors: Application to the vacancy in silicon

    International Nuclear Information System (INIS)

    Wang Yongliang; Lindefelt, U.

    1987-04-01

    A local environment approach for calculation of the electronic structure of localized defects in semiconductors is described. The method starts out from a description of localized orbitals or tight-binding model for semiconductors and is based on the recursion method of Haydock. A repeated symmetrical supercell containing 686 atoms plus defects is formed, both the translational and point-group symmetry of the crystal are fully exploited. In this paper, we report an application of this approach to an undistorted isolated vacancy by using a self-consistent Hamiltonian. A bound state of T 2 symmetry at 0.87 eV above the valence-band edge and a number of band resonances within the valence-band were extracted using Lanczos algorithm and a continued-fraction representation of the local density of states. It was found that the T 2 symmetry gap state is mainly p-like and most of the wavefunction for one of the A 1 symmetry resonances is concentrated on the vacant site and another concentrated on the first neighbors of the vacancy. From the small shifts of the band edges of silicon with a vacancy, we can conclude that the supercell is big enough and the interaction between the defects of different supercells is negligible. (author). 37 refs, 12 figs

  17. 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

  18. 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.

  19. Detecting wood surface defects with fusion algorithm of visual saliency and local threshold segmentation

    Science.gov (United States)

    Wang, Xuejuan; Wu, Shuhang; Liu, Yunpeng

    2018-04-01

    This paper presents a new method for wood defect detection. It can solve the over-segmentation problem existing in local threshold segmentation methods. This method effectively takes advantages of visual saliency and local threshold segmentation. Firstly, defect areas are coarsely located by using spectral residual method to calculate global visual saliency of them. Then, the threshold segmentation of maximum inter-class variance method is adopted for positioning and segmenting the wood surface defects precisely around the coarse located areas. Lastly, we use mathematical morphology to process the binary images after segmentation, which reduces the noise and small false objects. Experiments on test images of insect hole, dead knot and sound knot show that the method we proposed obtains ideal segmentation results and is superior to the existing segmentation methods based on edge detection, OSTU and threshold segmentation.

  20. Local cohomology and superselection structure

    International Nuclear Information System (INIS)

    Roberts, J.E.

    1976-02-01

    A novel quantum analogue of the classical problem of cohomology incorporating locality is introduced and is shown to generate those superselection sectors whose charge can be strictly localized. In a 2-dimensional space-time there are further possibilities; in particular, soliton sectors can be generated by this procedure [fr

  1. Algebra of 2D periodic operators with local and perpendicular defects

    DEFF Research Database (Denmark)

    Kutsenko, Anton

    2016-01-01

    We show that 2D periodic operators with local and perpendicular defects form an algebra. We provide an algorithm for finding spectrum for such operators. While the continuous spectral components can be computed by simple algebraic operations on some matrix-valued functions and a few number...

  2. 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

  3. 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)

  4. 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)

  5. 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.

  6. 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.

  7. Effects of local defect growth in direct-drive cryogenic implosions on OMEGA

    Energy Technology Data Exchange (ETDEWEB)

    Igumenshchev, I. V.; Shmayda, W. T.; Harding, D. R.; Sangster, T. C. [Laboratory for Laser Energetics, University of Rochester, 250 East River Road, Rochester, New York 14623-1299 (United States); Goncharov, V. N. [Laboratory for Laser Energetics, University of Rochester, 250 East River Road, Rochester, New York 14623-1299 (United States); Department of Mechanical Engineering, University of Rochester, Rochester, New York 14623 (United States); Meyerhofer, D. D. [Laboratory for Laser Energetics, University of Rochester, 250 East River Road, Rochester, New York 14623-1299 (United States); Department of Mechanical Engineering, University of Rochester, Rochester, New York 14623 (United States); Department of Physics and Astronomy, University of Rochester, Rochester, New York 14623 (United States)

    2013-08-15

    Spherically symmetric, low-adiabat (adiabat α ≲ 3) cryogenic direct-drive-implosion experiments on the OMEGA laser [T. R. Boehly et al., Opt. Commun. 133, 495 (1995)] yield less than 10% of the neutrons predicted in one-dimensional hydrodynamic simulations. Two-dimensional hydrodynamic simulations suggest that this performance degradation can be explained assuming perturbations from isolated defects of submicron to tens-of-micron scale on the outer surface or inside the shell of implosion targets. These defects develop during the cryogenic filling process and typically number from several tens up to hundreds for each target covering from about 0.2% to 1% of its surface. The simulations predict that such defects can significantly perturb the implosion and result in the injection of about 1 to 2 μg of the hot ablator (carbon-deuterium) and fuel (deuterium-tritium) materials from the ablation surface into the targets. Both the hot mass injection and perturbations of the shell reduce the final shell convergence ratio and implosion performance. The injected carbon ions radiatively cool the hot spot, reducing the fuel temperature, and further reducing the neutron yield. The negative effect of local defects can be minimized by decreasing the number and size of these defects and/or using more hydrodynamically stable implosion designs with higher shell adiabat.

  8. Theoretical studies of defects in insulators within the framework of the local density approximation

    International Nuclear Information System (INIS)

    Pederson, M.R.; Klein, B.M.

    1989-01-01

    The muffin-tin Green's function method and a linear combination of atomic orbitals cluster method for defect studies are discussed. These methods have been used to carry out calculations on F-like centers in MgO, CaO and LiF. Although the local density approximation leads to qualitatively correct information pertaining to the occupied states, in addition to the usual perfect-crystal band gap problem, the unoccupied defect levels are found to lie above the onset of the conducting band, in disagreement with the experimental measurements. Results using two methods for incorporating many-electron corrections into an LDA-like computational algorithm are discussed. These methods are the 'scissor-operator' approach to the band gap problem, and the self-interaction-correction (SIC) framework for improving the local spin density approximation. SIC results for the defect excitation spectra are in very good agreement with experiment. This method, when fully developed, should give an excellent ab initio description of defects in insulators. (author) 29 refs., 3 figs., 1 tab

  9. 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

  10. 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

  11. 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.

  12. Macular Ganglion Cell Inner Plexiform Layer Thickness in Glaucomatous Eyes with Localized Retinal Nerve Fiber Layer Defects.

    Directory of Open Access Journals (Sweden)

    Chunwei Zhang

    Full Text Available To investigate macular ganglion cell-inner plexiform layer (mGCIPL thickness in glaucomatous eyes with visible localized retinal nerve fiber layer (RNFL defects on stereophotographs.112 healthy and 149 glaucomatous eyes from the Diagnostic Innovations in Glaucoma Study (DIGS and the African Descent and Glaucoma Evaluation Study (ADAGES subjects had standard automated perimetry (SAP, optical coherence tomography (OCT imaging of the macula and optic nerve head, and stereoscopic optic disc photography. Masked observers identified localized RNFL defects by grading of stereophotographs.47 eyes had visible localized RNFL defects on stereophotographs. Eyes with visible localized RNFL defects had significantly thinner mGCIPL thickness compared to healthy eyes (68.3 ± 11.4 μm versus 79.2 ± 6.6 μm respectively, P<0.001 and similar mGCIPL thickness to glaucomatous eyes without localized RNFL defects (68.6 ± 11.2 μm, P = 1.000. The average mGCIPL thickness in eyes with RNFL defects was 14% less than similarly aged healthy controls. For 29 eyes with a visible RNFL defect in just one hemiretina (superior or inferior mGCIPL was thinnest in the same hemiretina in 26 eyes (90%. Eyes with inferior-temporal RNFL defects also had significantly thinner inferior-temporal mGCIPL (P<0.001 and inferior mGCIPL (P = 0.030 compared to glaucomatous eyes without a visible RNFL defect.The current study indicates that presence of a localized RNFL defect is likely to indicate significant macular damage, particularly in the region of the macular that topographically corresponds to the location of the RNFL defect.

  13. 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.

  14. Assessment of local variability by high-throughput e-beam metrology for prediction of patterning defect probabilities

    Science.gov (United States)

    Wang, Fuming; Hunsche, Stefan; Anunciado, Roy; Corradi, Antonio; Tien, Hung Yu; Tang, Peng; Wei, Junwei; Wang, Yongjun; Fang, Wei; Wong, Patrick; van Oosten, Anton; van Ingen Schenau, Koen; Slachter, Bram

    2018-03-01

    We present an experimental study of pattern variability and defectivity, based on a large data set with more than 112 million SEM measurements from an HMI high-throughput e-beam tool. The test case is a 10nm node SRAM via array patterned with a DUV immersion LELE process, where we see a variation in mean size and litho sensitivities between different unique via patterns that leads to a seemingly qualitative differences in defectivity. The large available data volume enables further analysis to reliably distinguish global and local CDU variations, including a breakdown into local systematics and stochastics. A closer inspection of the tail end of the distributions and estimation of defect probabilities concludes that there is a common defect mechanism and defect threshold despite the observed differences of specific pattern characteristics. We expect that the analysis methodology can be applied for defect probability modeling as well as general process qualification in the future.

  15. Local product structure for expansive homeomorphisms

    OpenAIRE

    Artigue, Alfonso; Brum, Joaquin; Potrie, Rafael

    2008-01-01

    Let $f\\colon M\\to M$ be an expansive homeomorphism with dense topologically hyperbolic periodic points, $M$ a compact manifold. Then there is a local product structure in an open and dense subset of $M$. Moreover, if some topologically hyperbolic periodic point has codimension one, then this local product structure is uniform. In particular, we conclude that the homeomorphism is conjugated to a linear Anosov diffeomorphism of a torus.

  16. Defects in doped LaGaO3 anionic conductors: linking NMR spectral features, local environments, and defect thermodynamics.

    Science.gov (United States)

    Blanc, Frédéric; Middlemiss, Derek S; Gan, Zhehong; Grey, Clare P

    2011-11-09

    Doped lanthanum gallate perovskites (LaGaO(3)) constitute some of the most promising electrolyte materials for solid oxide fuel cells operating in the intermediate temperature regime. Here, an approach combining experimental multinuclear NMR spectroscopy with density functional theory total energy and GIPAW NMR calculations yields a comprehensive understanding of the structural and defect chemistries of Sr- and Mg-doped LaGaO(3) anionic conductors. The DFT energetics demonstrate that Ga-V(O)-Ga (V(O) = oxygen vacancy) environments are favored (vs Ga-V(O)-Mg, Mg-V(O)-Mg and Mg-O-Mg-V(O)-Ga) across a range y = 0.0625, 0.125, and 0.25 of fractional Mg contents in LaGa(1-y)Mg(y)O(3-y/2). The results are interpreted in terms of doping and mean phase formation energies (relative to binary oxides) and are compared with previous calculations and experimental calorimetry data. Experimental multinuclear NMR data reveal that while Mg sites remain six-fold coordinated across the range of phase stoichiometries, albeit with significant structural disorder, a stoichiometry-dependent minority of the Ga sites resonate at a shift consistent with Ga(V) coordination, demonstrating that O vacancies preferentially locate in the first anion coordination shell of Ga. The strong Mg-V(O) binding inferred by previous studies is not observed here. The (17)O NMR spectra reveal distinct resonances that can be assigned by using the GIPAW NMR calculations to anions occupying equatorial and axial positions with respect to the Ga(V)-V(O) axis. The disparate shifts displayed by these sites are due to the nature and extent of the structural distortions caused by the O vacancies.

  17. THORACO - ABDOMINAL FLAP FOR RESURFACING LARGE POST MASTECTOMY DEFECTS IN LOCALLY ADVANCED CA. BREAST

    Directory of Open Access Journals (Sweden)

    Srinivasa Rao

    2015-02-01

    Full Text Available Covering of large wounds after mastectomy in locally advanced Ca breast with skin that can withstand radiotherapy is a challenge to the surgeon. Here this study we used a local advancement flap from the adjacent area called Thoraco - A bdominal F la p (TA flap for such giant defects. This is based on superficial and lumbar arteries and is thick to with stand consequent RT . MATERIALS AND METHODS: Of the total 107 cases of LABC 32 had post mastectomy defects of larger than 12 cm and could not be closed by simple approximation. Among the 32 cases 17 cases are covered by split thickness skin grafting. 15 cases are covered by TA flap. These cases are assessed for mean operating time, mean blood loss, post - operative stay, flap necrosis and viability of the f lap after radiotherapy. RESULTS: There is minimal extra time or blood loss in these cases . All the flaps healed well except for small edge necrosis in 4 cases. In all the patients we could start radiotherapy in the fourth week of surgery and all the flaps withstood RT well. After further evaluation probably this can be recommended as procedure for giant post mastectomy defects particularly for those who require RT early

  18. 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.

  19. 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

  20. A New Defected Ground Structure for Different Microstrip Circuit Applications

    Directory of Open Access Journals (Sweden)

    S. Das

    2007-04-01

    Full Text Available In this paper, a microstrip transmission line combined with a new U-headed dumb-bell defected ground structure (DGS is investigated. The proposed DGS of two U-shape slots connected by a thin transverse slot is placed in the ground plane of a microstrip line. A finite cutoff frequency and attenuation pole is observed and thus, the equivalent circuit of the DGS unit can be represented by a parallel LC resonant circuit in series with the transmission line. A two-cell DGS microstrip line yields a better lowpass filtering characteristics. The simulation is carried out by the MoM based IE3D software and in the experimental measurements a vector network analyzer is used. The effects of the transverse slot width and the distance between arms of the U-slot on the filter response curve are studied. This DGS is utilized for different microstrip circuit applications. The DGS is placed in the ground of a capacitive loaded microstrip line and a very low cutoff frequency is obtained. The DGS is adopted under the coupled lines of a parallel line coupler and an improvement in coupling coefficient is noticed. The proposed DGS is also incorporated in the ground plane under the feed lines and the coupled lines of a bandpass filter to improve separately the stopband and passband performances.

  1. 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.

  2. 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

  3. 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.

  4. Defect Localization Capabilities of a Global Detection Scheme: Spatial Pattern Recognition Using Full-field Vibration Test Data in Plates

    Science.gov (United States)

    Saleeb, A. F.; Prabhu, M.; Arnold, S. M. (Technical Monitor)

    2002-01-01

    Recently, a conceptually simple approach, based on the notion of defect energy in material space has been developed and extensively studied (from the theoretical and computational standpoints). The present study focuses on its evaluation from the viewpoint of damage localization capabilities in case of two-dimensional plates; i.e., spatial pattern recognition on surfaces. To this end, two different experimental modal test results are utilized; i.e., (1) conventional modal testing using (white noise) excitation and accelerometer-type sensors and (2) pattern recognition using Electronic speckle pattern interferometry (ESPI), a full field method capable of analyzing the mechanical vibration of complex structures. Unlike the conventional modal testing technique (using contacting accelerometers), these emerging ESPI technologies operate in a non-contacting mode, can be used even under hazardous conditions with minimal or no presence of noise and can simultaneously provide measurements for both translations and rotations. Results obtained have clearly demonstrated the robustness and versatility of the global NDE scheme developed. The vectorial character of the indices used, which enabled the extraction of distinct patterns for localizing damages proved very useful. In the context of the targeted pattern recognition paradigm, two algorithms were developed for the interrogation of test measurements; i.e., intensity contour maps for the damaged index, and the associated defect energy vector field plots.

  5. 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.

  6. Local administration of calcitriol positively influences bone remodeling and maturation during restoration of mandibular bone defects in rats

    International Nuclear Information System (INIS)

    Liu, Hongrui; Cui, Jian; Feng, Wei; Lv, Shengyu; Du, Juan; Sun, Jing; Han, Xiuchun; Wang, Zhenming; Lu, Xiong; Yimin; Oda, Kimimitsu; Amizuka, Norio; Li, Minqi

    2015-01-01

    The aim of this study was to investigate the influence of calcitriol on osteoinduction following local administration into mandibular bone defects. Calcitriol-loaded absorbable collagen membrane scaffolds were prepared using the polydopamine coating method and characterized by scanning electron microscopy. Composite scaffolds were implanted into rat mandibular bone defects in the following groups: no graft material (control), bare collagen membrane (CM group), collagen membrane bearing polydopamine coating (DOP/CM group), and collagen membrane bearing polydopamine coating absorbed with calcitriol (CAL/DOP/CM group). At 1, 2, 4 and 8 weeks post-surgery, the osteogenic potential of calcitriol was examined by histological and immunohistochemical methods. Following in vivo implantation, calcitriol-loaded composite scaffolds underwent rapid degradation with pronounced replacement by new bone and induced reunion of the bone marrow cavity. Calcitriol showed strong potential in inhibiting osteoclastogenesis and promotion of osteogenic differentiation at weeks 1, and 2. Furthermore, statistical analysis revealed that the newly formed bone volume in the CAL/DOP/CM group was significantly higher than other groups at weeks 1, and 2. At weeks 4, and 8, the CAL/DOP/CM group showed more mineralized bone and uniform collagen structure. These data suggest that local administration of calcitriol is promising in promoting osteogenesis and mineralization for restoration of mandibular bone defects. - Highlights: • More information on collagen material was added in the revised manuscript. • Masson–Goldner trichrome stain was performed for histomorphometry. • More specific information on calcitriol was supplemented in the Discussion section. • The MOD of ALP and Runx2 was explained in more detail. • The inhibition of osteoclastogenesis was described more accurately in the second paragraph of the discussion

  7. Local administration of calcitriol positively influences bone remodeling and maturation during restoration of mandibular bone defects in rats

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Hongrui; Cui, Jian; Feng, Wei; Lv, Shengyu; Du, Juan; Sun, Jing; Han, Xiuchun [Department of Bone Metabolism, School of Stomatology Shandong University, Shandong Provincial Key Laboratory of Oral Biomedicine, Jinan (China); Wang, Zhenming; Lu, Xiong [Key Lab of Advanced Technologies of Materials, Ministry of Education, School of Materials Science and Engineering, Southwest Jiaotong University, Chengdu, Sichuan (China); Yimin [Department of Advanced Medicine, Graduate School of Medicine, Hokkaido University, Sapporo (Japan); Oda, Kimimitsu [Division of Biochemistry, Niigata University Graduate School of Medical and Dental Sciences, Niigata (Japan); Amizuka, Norio [Department of Developmental Biology of Hard Tissue, Graduate School of Dental Medicine, Hokkaido University, Sapporo (Japan); Li, Minqi, E-mail: liminqi@sdu.edu.cn [Department of Bone Metabolism, School of Stomatology Shandong University, Shandong Provincial Key Laboratory of Oral Biomedicine, Jinan (China)

    2015-04-01

    The aim of this study was to investigate the influence of calcitriol on osteoinduction following local administration into mandibular bone defects. Calcitriol-loaded absorbable collagen membrane scaffolds were prepared using the polydopamine coating method and characterized by scanning electron microscopy. Composite scaffolds were implanted into rat mandibular bone defects in the following groups: no graft material (control), bare collagen membrane (CM group), collagen membrane bearing polydopamine coating (DOP/CM group), and collagen membrane bearing polydopamine coating absorbed with calcitriol (CAL/DOP/CM group). At 1, 2, 4 and 8 weeks post-surgery, the osteogenic potential of calcitriol was examined by histological and immunohistochemical methods. Following in vivo implantation, calcitriol-loaded composite scaffolds underwent rapid degradation with pronounced replacement by new bone and induced reunion of the bone marrow cavity. Calcitriol showed strong potential in inhibiting osteoclastogenesis and promotion of osteogenic differentiation at weeks 1, and 2. Furthermore, statistical analysis revealed that the newly formed bone volume in the CAL/DOP/CM group was significantly higher than other groups at weeks 1, and 2. At weeks 4, and 8, the CAL/DOP/CM group showed more mineralized bone and uniform collagen structure. These data suggest that local administration of calcitriol is promising in promoting osteogenesis and mineralization for restoration of mandibular bone defects. - Highlights: • More information on collagen material was added in the revised manuscript. • Masson–Goldner trichrome stain was performed for histomorphometry. • More specific information on calcitriol was supplemented in the Discussion section. • The MOD of ALP and Runx2 was explained in more detail. • The inhibition of osteoclastogenesis was described more accurately in the second paragraph of the discussion.

  8. Nonlinear defect localized modes and composite gray and anti-gray solitons in one-dimensional waveguide arrays with dual-flip defects

    Science.gov (United States)

    Liu, Yan; Guan, Yefeng; Li, Hai; Luo, Zhihuan; Mai, Zhijie

    2017-08-01

    We study families of stationary nonlinear localized modes and composite gray and anti-gray solitons in a one-dimensional linear waveguide array with dual phase-flip nonlinear point defects. Unstaggered fundamental and dipole bright modes are studied when the defect nonlinearity is self-focusing. For the fundamental modes, symmetric and asymmetric nonlinear modes are found. Their stable areas are studied using different defect coefficients and their total power. For the nonlinear dipole modes, the stability conditions of this type of mode are also identified by different defect coefficients and the total power. When the defect nonlinearity is replaced by the self-defocusing one, staggered fundamental and dipole bright modes are created. Finally, if we replace the linear waveguide with a full nonlinear waveguide, a new type of gray and anti-gray solitons, which are constructed by a kink and anti-kink pair, can be supported by such dual phase-flip defects. In contrast to the usual gray and anti-gray solitons formed by a single kink, their backgrounds on either side of the gray hole or bright hump have the same phase.

  9. Localized ridge defect augmentation using human pericardium membrane and demineralized bone matrix.

    Science.gov (United States)

    Vidyadharan, Arun Kumar; Ravindran, Anjana

    2014-01-01

    Patient wanted to restore her lost teeth with implants in the lower left first molar and second premolar region. Cone beam computerized tomography (CBCT) revealed inadequate bone width and height around future implant sites. The extraction socket of second premolar area revealed inadequate socket healing with sparse bone fill after 4 months of extraction. To evaluate the clinical feasibility of using a collagen physical resorbable barrier made of human pericardium (HP) to augment localized alveolar ridge defects for the subsequent placement of dental implants. Ridge augmentation was done in the compromised area using Puros® demineralized bone matrix (DBM) Putty with chips and an HP allograft membrane. Horizontal (width) and vertical hard tissue measurements with CBCT were recorded on the day of ridge augmentation surgery, 4 month and 7 months follow-up. Intra oral periapical taken 1 year after implant installation showed minimal crestal bone loss. Bone volume achieved through guided bone regeneration was a gain of 4.8 mm horizontally (width) and 6.8 mm vertically in the deficient ridge within a period of 7 months following the procedure. The results suggested that HP Allograft membrane may be a suitable component for augmentation of localized alveolar ridge defects in conjunction with DBM with bone chips.

  10. Acoustic method for investigation of the structural defects in metals

    International Nuclear Information System (INIS)

    Nicolaescu, I.I.; Curcaneanu, Nicoleta

    1997-01-01

    In this work an acoustic method is presented called, the resonant bar method, which is based on the interaction between ultrasound and the structural defects in high purity metals. By this method the internal dislocation friction (Q -1 ) and the propagation velocity (v) of the ultrasound in the bar is measured. Both quantities are shown to depend on the dislocation densities and the length of dislocation loop. The experimental setup is shown. It consists of the resonant bar, the excitation spool, a generator of variable frequency and amplitude, a receptor spool, a selective amplifier and the adjacent measuring and displaying apparatus. The two spools are located inside of a toroidal permanent magnet. The bar oscillations are produced by the variable electromagnetic force appearing between the whirl current induced in the sample by the generator and the field of toroidal magnet. This method is applied to nonmagnetic materials with high electric conductivity. If the bar under study consists of a insulating material then on its ends either a conducting thin layer or a metallic thin sheet is deposed. The installation allows measuring the acoustic parameters of materials (v and Q -1 ) by two procedures, the method of free damped oscillations and the method of forced oscillations. Also, the internal friction can be measured with this installation, either dependent on or independent of the generator amplitude. Measurements on aluminium samples resulted in the following values: Q -1 (3 ppm) = 10 -3 and Q -1 (150 ppm) = 10 -5 . By means of this installation internal friction can be studied in re-baked, annealed, mechanical deformed and irradiated samples or in materials submitted to other processes

  11. 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

  12. 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.

  13. Detecting structure of haplotypes and local ancestry

    Science.gov (United States)

    We present a two-layer hidden Markov model to detect the structure of haplotypes for unrelated individuals. This allows us to model two scales of linkage disequilibrium (one within a group of haplotypes and one between groups), thereby taking advantage of rich haplotype information to infer local an...

  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. 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.

  16. 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

  17. 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.

  18. Calculation of the heat flow peak in case of local defect of the fuel plate of a nuclear reactor

    International Nuclear Information System (INIS)

    Fabrega, Serge

    1965-11-01

    The author reports the calculation of the local thermal flow which exits a fuel plate in a nuclear reactor, where a fabrication defect creates a much localized peak of the power density released in the plate. He first reports the development of the problem equations: hypotheses and data, equation elaboration, simplification and resolution. He presents the results of a numeric application to actual cases, and describes how the conduction in the sheath is taken into account (study of the influence of peak width and shape), and gives a synthetic presentation of the formula for the approximate calculation of the heat flow in case of local defect [fr

  19. Microstructure evolution of ceramics during sintering: an analysis based on local image analysis measurements in the vicinity of controlled defects

    International Nuclear Information System (INIS)

    Girard, E.; Chaix, J.M.; Carry, C.; Valdivieso, F.; Goeuriot, P.; Lechelle, J.

    2005-01-01

    UO 2 powder containing 5% of almost spherical defects of controlled size have been sintered. The defects were prepared with the same powder by pre-sintering either the natural powder aggregates or partially milled pressed powder. Systematic image analysis was performed to get the local microstructure features inside the defects and in the matrix outside the defects. The set of results is used here as a sintering database with three identified sintering 'constraint' parameters (compaction level C 0 , radial distance r to the defect edge, and sintering 'history' H) and three microstructure 'responses' (pore volume fraction V V P , pore mean diameter D P , and grain mean diameter D G ). Data analysis in the 3D responses space shows that these variables are not independent but define a unique surface, on which each point corresponds to a set of constraints (C 0 ,r,H). (authors)

  20. 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

  1. Shaped input distributions for structural damage localization

    DEFF Research Database (Denmark)

    Ulriksen, Martin Dalgaard; Bernal, Dionisio; Damkilde, Lars

    2018-01-01

    localization method is cast that operates on the premise of shaping inputs—whose spatial distribution is fixed—by use of a model, such that these inputs, in one structural subdomain at a time, suppress certain steady-state vibration quantities (depending on the type of damage one seeks to interrogate for......). Accordingly, damage is localized when the vibration signature induced by the shaped inputs in the damaged state corresponds to that in the reference state, hereby implying that the approach does not point directly to damage. Instead, it operates with interrogation based on postulated damage patterns...

  2. Local atomic structure of α-Pu

    International Nuclear Information System (INIS)

    Espinosa, F. J.; Villella, P.; Lashley, J. C.; Conradson, S. D.; Cox, L. E.; Martinez, R.; Martinez, B.; Morales, L.; Terry, J.; Pereyra, R. A.

    2001-01-01

    The local atomic structure of α-Pu was investigated using x-ray absorption fine structure (XAFS) spectroscopy. XAFS spectra were obtained for a zone-refined α-Pu and the results were compared to 32-year-old and Ce-doped (0.34 at.%) samples. X-ray diffraction (XRD) patterns were also measured for the zone-refined and 32-year-old materials. The extent of the Bragg peaks showed that amorphization of the 32-year-old sample had not occurred despite the prolonged exposure to self-radiation. Analogous to metastable δ-Pu alloys, the local atomic structure around Pu for the zone-refined material shows the possible presence of noncrystallographic Pu-Pu distances. Conversely, the Ce and the 32-year-old sample show no evidence for such noncrystallographic distances. Disorder in the Pu local environment was found to be impurity dependent. The Ce-doped sample presented a larger Pu-Pu nearest neighbor disorder than the aged sample, although the total amount of Am, U, and He impurities was actually higher in the aged sample. The local environment around U and Ce impurities is consistent with these elements being in substitutional lattice sites. In addition, U and Ce do not introduce significant lattice distortion to their nearest neighbors. This is consistent with disorder being more related to the perturbation of the coupling between the electronic and crystal structure, or the Peierls--Jahn-Teller distortion that generates the monoclinic α-Pu structure, and less to strain fields produced in the vicinity of the impurities

  3. 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.

  4. 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.

  5. Localization and Imaging of Integrated Circuit Defect Using Simple Optical Feedback Detection

    Directory of Open Access Journals (Sweden)

    Vernon Julius Cemine

    2004-12-01

    Full Text Available High-contrast microscopy of semiconductor and metal edifices in integrated circuits is demonstrated by combining laser-scanning confocal reflectance microscopy, one-photon optical-beam-induced current (1P-OBIC imaging, and optical feedback detection via a commercially available semiconductor laser that also serves as the excitation source. The confocal microscope has a compact in-line arrangement with no external photodetector. Confocal and 1P-OBIC images are obtained simultaneously from the same focused beam that is scanned across the sample plane. Image pairs are processed to generate exclusive high-contrast distributions of the semiconductor, metal, and dielectric sites in a GaAs photodiode array sample. The method is then utilized to demonstrate defect localization and imaging in an integrated circuit.

  6. 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

  7. Ductile failure analysis of API X65 pipes with notch-type defects using a local fracture criterion

    International Nuclear Information System (INIS)

    Oh, Chang-Kyun; Kim, Yun-Jae; Baek, Jong-Hyun; Kim, Young-Pyo; Kim, Woo-Sik

    2007-01-01

    A local failure criterion for API X65 steel is applied to predict ductile failure of full-scale API X65 pipes with simulated corrosion and gouge defects under internal pressure. The local failure criterion is the stress-modified fracture strain as a function of the stress triaxiality (defined by the ratio of the hydrostatic stress to the effective stress). Based on detailed finite element (FE) analyses with the proposed local failure criterion, burst pressures of defective pipes are estimated and compared with experimental data. For pipes with simulated corrosion defects, FE analysis with the proposed local fracture criterion indicates that predicted failure takes place after the defective pipes attain maximum loads for all cases, possibly due to the fact that the material has sufficient ductility. For pipes with simulated gouge defects, on the other hand, it is found that predicted failure takes place before global instability, and the predicted burst pressures are in good agreement with experimental data, providing confidence in the present approach

  8. 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

  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. A systematic study of ball passing frequencies based on dynamic modeling of rolling ball bearings with localized surface defects

    Science.gov (United States)

    Niu, Linkai; Cao, Hongrui; He, Zhengjia; Li, Yamin

    2015-11-01

    Ball passing frequencies (BPFs) are very important features for condition monitoring and fault diagnosis of rolling ball bearings. The ball passing frequency on outer raceway (BPFO) and the ball passing frequency on inner raceway (BPFI) are usually calculated by two well-known kinematics equations. In this paper, a systematic study of BPFs of rolling ball bearings is carried out. A novel method for accurately calculating BPFs based on a complete dynamic model of rolling ball bearings with localized surface defects is proposed. In the used dynamic model, three-dimensional motions, relative slippage, cage effects and localized surface defects are all considered. Moreover, localized surface defects are modeled accurately with consideration of the finite size of the ball, the additional clearance due to material absence, and changes of contact force directions. The reasonability of the proposed method for the prediction of dynamic behaviors of actual ball bearings with localized surface defects and for the calculation of BPFs is discussed by investigating the motion characteristics of a ball when it rolls through a defect. Parametric investigation shows that the shaft speed, external loads, the friction coefficient, raceway groove curvature factors, the initial contact angle, and defect sizes have great effects on BPFs. For a loaded ball bearing, the combination of rolling and sliding in contact region occurs, and the BPFs calculated by simple kinematical relationships are inaccurate, especially for high speed, low external load, and large initial contact angle conditions where severe skidding occurs. The hypothesis that the percentage variation of the spacing between impulses in a defective ball bearing was about 1-2% reported in previous investigations can be satisfied only for the conditions where the skidding effect in a bearing is slight. Finally, the proposed method is verified with two experiments.

  11. Development of engineering program for integrity evaluation of pipes with local wall thinned defects

    International Nuclear Information System (INIS)

    Park, Chi Yong; Lee, Sung Ho; Kim, Tae Ryong; Park, Sang Kyu

    2008-01-01

    Integrity evaluation of pipes with local wall thinning by erosion and corrosion is increasingly important in maintenance of wall thinned carbon steel pipes in nuclear power plants. Though a few program for integrity assessment of wall thinned pipes have been developed in domestic nuclear field, however those are limited to straight pipes and methodology proposed in ASME Sec.XI Code Case N-597. Recently, the engineering program for integrity evaluation of pipes with all kinds of local wall defects such as straight, elbow, reducer and branch pipes was developed successfully. The program was designated as PiTEP (Pipe Thinning Evaluation Program), which name was registered as a trademark in the Korea Intellectual Property Office. A developed program is carried out by sequential step of four integrity evaluation methodologies, which are composed of construction code, code case N-597, its engineering method and two developed owner evaluation method. As PiTEP program will be performed through GUI (Graphic User Interface) with user's familiarity, it would be conveniently used by plant engineers with only measured thickness data, basic operation conditions and pipe data

  12. Indoor footstep localization from structural dynamics instrumentation

    Science.gov (United States)

    Poston, Jeffrey D.; Buehrer, R. Michael; Tarazaga, Pablo A.

    2017-05-01

    Measurements from accelerometers originally deployed to measure a building's structural dynamics can serve a new role: locating individuals moving within a building. Specifically, this paper proposes measurements of footstep-generated vibrations as a novel source of information for localization. The complexity of wave propagation in a building (e.g., dispersion and reflection) limits the utility of existing algorithms designed to locate, for example, the source of sound in a room or radio waves in free space. This paper develops enhancements for arrival time determination and time difference of arrival localization in order to address the complexities posed by wave propagation within a building's structure. Experiments with actual measurements from an instrumented public building demonstrate the potential of locating footsteps to sub-meter accuracy. Furthermore, this paper explains how to forecast performance in other buildings with different sensor configurations. This localization capability holds the potential to assist public safety agencies in building evacuation and incidence response, to facilitate occupancy-based optimization of heating or cooling and to inform facility security.

  13. THE STRUCTURE OF THE LOCAL HOT BUBBLE

    Energy Technology Data Exchange (ETDEWEB)

    Liu, W.; Galeazzi, M.; Uprety, Y.; Ursino, E. [Department of Physics, University of Miami, Coral Gables, FL, 33124 (United States); Chiao, M.; Collier, M. R.; Porter, F. S.; Snowden, S. L.; Thomas, N. E. [NASA Goddard Space Flight Center, Greenbelt, MD, 20771 (United States); Cravens, T. [Department of Physics and Astronomy, University of Kansas, Lawrence, KS 66045 (United States); Koutroumpa, D. [Universite Versailles St-Quentin (France); Sorbonne Universites, UPMC Univ. Paris 06 (France); CNRS/INSU, LATMOS-IPSL, F-78280 (France); Kuntz, K. D. [The Henry A. Rowland Department of Physics and Astronomy, Johns Hopkins University, Baltimore, MD 21218 (United States); Lallement, R. [GEPI Observatoire de Paris, CNRS, Universite Paris Diderot, F-92190, Meudon (France); Lepri, S. T. [Department of Atmospheric, Oceanic, and Space Sciences, University of Michigan, Ann Arbor, MI 48109 (United States); McCammon, D.; Morgan, K. [Department of Physics, University of Wisconsin, Madison, WI 53706 (United States); Walsh, B. M., E-mail: galeazzi@physics.miami.edu [Department of Mechanical Engineering, Boston University, Boston, MA 02215 (United States)

    2017-01-01

    Diffuse X-rays from the Local Galaxy ( DXL ) is a sounding rocket mission designed to quantify and characterize the contribution of Solar Wind Charge eXchange (SWCX) to the Diffuse X-ray Background and study the properties of the Local Hot Bubble (LHB). Based on the results from the DXL mission, we quantified and removed the contribution of SWCX to the diffuse X-ray background measured by the ROSAT All Sky Survey. The “cleaned” maps were used to investigate the physical properties of the LHB. Assuming thermal ionization equilibrium, we measured a highly uniform temperature distributed around kT  = 0.097 keV ± 0.013 keV (FWHM) ± 0.006 keV (systematic). We also generated a thermal emission measure map and used it to characterize the three-dimensional (3D) structure of the LHB, which we found to be in good agreement with the structure of the local cavity measured from dust and gas.

  14. The Effects of Epidermal Neural Crest Stem Cells on Local Inflammation Microenvironment in the Defected Sciatic Nerve of Rats

    Directory of Open Access Journals (Sweden)

    Yue Li

    2017-05-01

    Full Text Available Cell-based therapy is a promising strategy for the repair of peripheral nerve injuries (PNIs. epidermal neural crest stems cells (EPI-NCSCs are thought to be important donor cells for repairing PNI in different animal models. Following PNI, inflammatory response is important to regulate the repair process. However, the effects of EPI-NCSCs on regulation of local inflammation microenviroment have not been investigated extensively. In the present study, these effects were studied by using 10 mm defected sciatic nerve, which was bridged with 15 mm artificial nerve composed of EPI-NCSCs, extracellular matrix (ECM and poly (lactide-co-glycolide (PLGA. Then the expression of pro- and anti-inflammatory cytokines, polarization of macrophages, regulation of fibroblasts and shwann cells (SCs were assessed by western blot, immunohistochemistry, immunofluorescence staining at 1, 3, 7 and 21 days after bridging. The structure and the function of the bridged nerve were determined by observation under light microscope and by examination of right lateral foot retraction time (LFRT, sciatic function index (SFI, gastrocnemius wet weight and electrophysiology at 9 weeks. After bridging with EPI-NCSCs, the expression of anti-inflammatory cytokines (IL-4 and IL-13 was increased, but decreased for pro-inflammatory cytokines (IL-6 and TNF-α compared to the control bridging, which was consistent with increase of M2 macrophages and decrease of M1 macrophages at 7 days after transplantation. Likewise, myelin-formed SCs were significantly increased, but decreased for the activated fibroblasts in their number at 21 days. The recovery of structure and function of nerve bridged with EPI-NCSCs was significantly superior to that of DMEM. These results indicated that EPI-NCSCs could be able to regulate and provide more suitable inflammation microenvironment for the repair of defected sciatic nerve.

  15. 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

  16. Effect of potential barrier growth of auto-localized excitons decay on radiation defects in AHC at low lattice symmetry

    International Nuclear Information System (INIS)

    Shunkeev, K.; Sagimbaeva, Sh.; Shunkeev, S.

    2007-01-01

    Effect of auto-localized excitons (ALE) luminescence strengthening is conditioned by two mechanisms: either decrease of potential barrier divided of quasi-free states and auto-localized states or decrease of emission-less channel effectiveness of exciton decay on primary radiation defects. In considered range (80 K) all excitons are only in auto-localized state. Therefore a realization of the first mechanism is improbable, For instant, in KI crystal at 80-100 K luminescence of free exciton is completely putting out, and ALE luminescence has maximal intensity. It is known that in the temperature range when ALE luminescence putting out is beginning an effectiveness of radiation defects is beginning to grow. This effect is related with predominating at that time emission-less exciton decay on radiation defects (F-H pairs). Experimentally by luminescence spectroscopy method activation energy of temperature putting out of ALE in AHC under uniaxial deformation. It is revealed, that increase of activation energy value has observed in a number of crystals: KBr→NaCl→KI→Na Br→CsBr→RbI. It is concluded, that effect of ALE intensity building-up and decrease of effectiveness of radiation defect formation are interpreted by growth of potential barrier of ALE decay into radiation defects under low symmetry of AHC lattice of low-temperature uniaxial deformation

  17. Lamin B Receptor: Interplay between Structure, Function and Localization

    Directory of Open Access Journals (Sweden)

    Eleni Nikolakaki

    2017-08-01

    Full Text Available Lamin B receptor (LBR is an integral protein of the inner nuclear membrane, containing a hydrophilic N-terminal end protruding into the nucleoplasm, eight hydrophobic segments that span the membrane and a short, nucleoplasmic C-terminal tail. Two seemingly unrelated functions have been attributed to LBR. Its N-terminal domain tethers heterochromatin to the nuclear periphery, thus contributing to the shape of interphase nuclear architecture, while its transmembrane domains exhibit sterol reductase activity. Mutations within the transmembrane segments result in defects in cholesterol synthesis and are associated with diseases such as the Pelger–Huët anomaly and Greenberg skeletal dysplasia, whereas no such harmful mutations related to the anchoring properties of LBR have been reported so far. Recent evidence suggests a dynamic regulation of LBR expression levels, structural organization, localization and function, in response to various signals. The molecular mechanisms underlying this dynamic behavior have not yet been fully unraveled. Here, we provide an overview of the current knowledge of the interplay between the structure, function and localization of LBR, and hint at the interconnection of the two distinct functions of LBR.

  18. 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)

  19. 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)

  20. 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)

  1. Structure of BRS-invariant local functionals

    International Nuclear Information System (INIS)

    Brandt, F.

    1993-01-01

    For a large class of gauge theories a nilpotent BRS-operator s is constructed and its cohomology in the space of local functionals of the off-shell fields is shown to be isomorphic to the cohomology of s=s+d on functions f(C,T) of tensor fields T and of variables C which are constructed of the ghosts and the connection forms. The result allows general statements about the structure of invariant classical actions and anomaly cadidates whose BRS-variation vanishes off-shell. The assumptions under which the result holds are thoroughly discussed. (orig.)

  2. Local layer structure of smectic liquid crystals by X-ray micro-diffraction

    CERN Document Server

    Takanishi, Y

    2003-01-01

    The local layer structure of smectic liquid crystal has been measured using time-resolved synchrotron X-ray micro-diffraction. Typical layer disorders observed in surface stabilized (anti-) ferroelectric liquid crystals, i.e. a stripe texture, a needed-like defect and a zigzag defect, are directly analyzed. The detailed analysis slows that the surface anchoring force due to the interaction between the liquid crystal molecule and the alignment thin film plays an important role to realize both the static and dynamic local layer structures. The layer structure of the circular domain observed in the liquid crystal of bent-shaped molecules found to depend on the applied electric field though the optical micrograph shows little difference. The frustrated, double and single layer structures of the bent-shaped molecule liquid crystal are determined depending on the terminal alkyl chain length. (author)

  3. Complementary structure for designer localized surface plasmons

    Science.gov (United States)

    Gao, Zhen; Gao, Fei; Zhang, Youming; Zhang, Baile

    2015-11-01

    Magnetic localized surface plasmons (LSPs) supported on metallic structures corrugated by very long and curved grooves have been recently proposed and demonstrated on an extremely thin metallic spiral structure (MSS) in the microwave regime. However, the mode profile for the magnetic LSPs was demonstrated by measuring only the electric field, not the magnetic field. Here, based on Babinet's principle, we propose a Babinet-inverted, or complementary MSS whose electric/magnetic mode profiles match the magnetic/electric mode profiles of MSS. This complementarity of mode profiles allows mapping the magnetic field distribution of magnetic LSP mode profile on MSS by measuring the electric field distribution of the corresponding mode on complementary MSS. Experiment at microwave frequencies also demonstrate the use of complementary MSS in sensing refractive-index change in the environment.

  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. Nonlinear Near-Field Microwave Microscopy for RF Defect Localization in Nb-Based Superconducting Radio Frequency Cavities

    Science.gov (United States)

    Tai, Tamin

    2011-03-01

    Niobium Superconducting Radio Frequency (SRF) cavities are very sensitive to localized defects that give rise to quenches at high accelerating gradients. In order to identify these defects via scanning microscopy, and to further understand the origins of the quench under high radio frequency excitation (1-3 GHz), a scanning probe with localized and up to ~ 200 mT RF magnetic field is required for low temperature microscopy to achieve sub-micron resolution. For this purpose, we developed a micro loop probe on silicon substrate with outer diameter 20 μ m and inner diameter 17 μ m and successfully fabricated it by lithography. The probe has been used to identify a signal arising from the nonlinear Meissner effect in a Nb thin film. In addition, a magnetic write head is another promising candidate to achieve this goal of understanding localized defect behavior under high RF magnetic field at low temperatures. We will discuss and compare both types of probe for nonlinear scanning microscopy and RF defect localization in superconductors. We acknowledge the support of DOE/HEP.

  6. Studies on rate equations for defects in irradiated solids using the local analysis method

    International Nuclear Information System (INIS)

    Carvalho e Camargo, M.U. de.

    1983-10-01

    The void formation and swelling phenomenon in material for nuclear reactors structures, mainly for fast reactors, has been studied by several authors. A simple calculation covering the basic instance of radiation damage in irradiated solid solution, using the local analysis in rate theory is presented here. A simple description of pratical and fundamental interest for the complex problem of solid solution under irradiation is given. (Author) [pt

  7. 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).

  8. 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

  9. 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.)

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

    International Nuclear Information System (INIS)

    Sauzay, Maxime; Liu, Jia; Rachdi, Fatima

    2014-01-01

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

  11. 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

  12. Online Surface Defect Identification of Cold Rolled Strips Based on Local Binary Pattern and Extreme Learning Machine

    Directory of Open Access Journals (Sweden)

    Yang Liu

    2018-03-01

    Full Text Available In the production of cold-rolled strip, the strip surface may suffer from various defects which need to be detected and identified using an online inspection system. The system is equipped with high-speed and high-resolution cameras to acquire images from the moving strip surface. Features are then extracted from the images and are used as inputs of a pre-trained classifier to identify the type of defect. New types of defect often appear in production. At this point the pre-trained classifier needs to be quickly retrained and deployed in seconds to meet the requirement of the online identification of all defects in the environment of a continuous production line. Therefore, the method for extracting the image features and the training for the classification model should be automated and fast enough, normally within seconds. This paper presents our findings in investigating the computational and classification performance of various feature extraction methods and classification models for the strip surface defect identification. The methods include Scale Invariant Feature Transform (SIFT, Speeded Up Robust Features (SURF and Local Binary Patterns (LBP. The classifiers we have assessed include Back Propagation (BP neural network, Support Vector Machine (SVM and Extreme Learning Machine (ELM. By comparing various combinations of different feature extraction and classification methods, our experiments show that the hybrid method of LBP for feature extraction and ELM for defect classification results in less training and identification time with higher classification accuracy, which satisfied online real-time identification.

  13. Lattice dynamics of local defects in wide-gap semiconductors; Schwingungsverhalten lokaler Defekte in Breitband-Halbleitern

    Energy Technology Data Exchange (ETDEWEB)

    Kaczmarczyk, G.

    2006-07-01

    The group III-nitrides and zinc oxide are in the focus of material research because of their high application potential. The presentation of the first UV laser diode as well as blue light emitting diodes were the preliminary highlights. Although of all technological progress many physical questions are still open. In this work some of these questions are examined experimentally with Raman-scattering and theoretically with valence-force calculations. Many physical properties such as strain and doping concentration affect the lattice dynamics. As a start the phonons of the center of the Brillouin-zone in GaN, AlN, InN and ZnO are studied with first-order Raman-scattering. These results are the basis for advanced investigations. The acoustical and optical modes at the zone boundary and their combinations and overtones are determinated from the second-order Raman-scattering. Using the valence-force calculations the experimental frequencies are assigned to particular phonon branches or points of the Brillouin zone. The second part of this work treats systematically the physics of local vibrational modes. They occur due to intrinsic defects or impurities in the semiconductors. They are investigated with respect to the vibrational properties of the unperturbed crystals. In order to assign new experimentally found structures, calculations of local vibrational modes in GaN:Mg, GaN:As and ZnO:N systems were carried out. Furthermore, the calculations in Si- and C-doped hexagonal GaN suggest the frequency range for local vibrational modes. In the last section the influence of external parameters such as temperature or strain on the phonon frequency is analyzed. It is shown, that the influence on the temperature dependence of host phonons and local vibrational modes are dominated through different effects. In case of the host phonons it is mainly due to the volume effect whereas the local modes are highly affected by the anharmonic decay. Moreover, the calculations verified

  14. An all-silicon laser by coupling between electronic localized states and defect states of photonic crystal

    Energy Technology Data Exchange (ETDEWEB)

    Huang Weiqi, E-mail: WQHuang2001@yahoo.com [Institute of Nanophotonic Physics, Key Laboratory of Photoelectron Technology and Application, Guizhou University, Guiyang 550025 (China); Huang Zhongmei; Miao Xinjiang; Cai Chenlan; Liu Jiaxin; Lue Quan [Institute of Nanophotonic Physics, Key Laboratory of Photoelectron Technology and Application, Guizhou University, Guiyang 550025 (China); Liu Shirong, E-mail: Shirong@yahoo.com [State Key Laboratory of Ore Deposit Geochemistry Institute of Geochemistry, Chinese Academy of Sciences, Guiyang 550003 (China); Qin Chaojian [State Key Laboratory of Ore Deposit Geochemistry Institute of Geochemistry, Chinese Academy of Sciences, Guiyang 550003 (China)

    2012-01-15

    In a nano-laser of Si quantum dots (QD), the smaller QD fabricated by nanosecond pulse laser can form the pumping level tuned by the quantum confinement (QC) effect. Coupling between the active centers formed by localized states of surface bonds and the two-dimensional (2D) photonic crystal is used to select model in the nano-laser. The experimental demonstration is reported in which the peaks of stimulated emission at about 600 nm and 700 nm were observed on the Si QD prepared in oxygen after annealing which improves the stimulated emission. It is interesting to make a comparison between the localized electronic states in gap due to defect formed by surface bonds and the localized photonic states in gap of photonic band due to defect of 2D photonic crystal.

  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. 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.

  17. 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

  18. 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)

  19. 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

  20. On the Advantages and Defects of the American Structuralism

    Institute of Scientific and Technical Information of China (English)

    徐晓莹

    2004-01-01

    During the years at the end of the nineteenth century and beginning of the twentieth century when Saussure was working out his ideas in Europe, synchronic linguistics was emerging independently, and in a very different style, in America, under the leadership of the anthropologist Franz Boas. Boas set a direction for American linguistics. The school founded by Boas was called structural linguistics. Beside Boas, the other two major representatives of this school during this period were: Sapir and Bloomfield.

  1. 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.

  2. 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

  3. Importance of Local Structural Variations on Recrystallization

    DEFF Research Database (Denmark)

    Juul Jensen, Dorte; Lin, Fengxiang; Zhang, Yubin

    2013-01-01

    Effects of local variations in the deformation microstructure on subsequent recrystallization are discussed and illustrated by three examples. The three examples consider local variations on different length scales and are: 1. Effects of local variations in the deformation microstructure on the f...

  4. 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.

  5. Electronic structure and local distortions in epitaxial ScGaN films

    International Nuclear Information System (INIS)

    Knoll, S M; Zhang, S; Rovezzi, M; Joyce, T B; Moram, M A

    2014-01-01

    High energy resolution fluorescence-detected x-ray absorption spectroscopy and density functional theory calculations were used to investigate the local bonding and electronic structure of Sc in epitaxial wurtzite-structure Sc x Ga 1−x N films with x ≤ 0.059. Sc atoms are found to substitute for Ga atoms, accompanied by a local distortion involving an increase in the internal lattice parameter u around the Sc atoms. The local bonding and electronic structure at Sc are not affected strongly by the strain state or the defect microstructure of the films. These data are consistent with theoretical predictions regarding the electronic structure of dilute Sc x Ga 1−x N alloys. (paper)

  6. Correlation between local glaucomatous visual field defects and loss of nerve fiber layer thickness measured with polarimetry and spectral domain OCT.

    Science.gov (United States)

    Horn, Folkert K; Mardin, Christian Y; Laemmer, Robert; Baleanu, Delia; Juenemann, Anselm M; Kruse, Friedrich E; Tornow, Ralf P

    2009-05-01

    To study the correlation between local perimetric field defects and glaucoma-induced thickness reduction of the nerve layer measured in the peripapillary area with scanning laser polarimetry (SLP) and spectral domain optical coherence tomography (SOCT) and to compare the results with those of a theoretical model. The thickness of the retinal nerve fiber layer was determined in 32 sectors (11.25 degrees each) by using SLP with variable cornea compensation (GDxVCC; Laser Diagnostics, San Diego, CA) and the newly introduced high-resolution SOCT (Spectralis; Heidelberg Engineering, Heidelberg, Germany). Eighty-eight healthy subjects served as control subjects, to determine the thickness deviation in patients with glaucoma. The relationship between glaucomatous nerve fiber reduction and visual field losses was calculated in six nerve fiber bundle-related areas. Sixty-four patients at different stages of open-angle glaucoma and 26 patients with ocular hypertension underwent perimetry (Octopus G1; Haag-Streit, Köniz, Switzerland) and measurements with the two morphometric techniques. Sector-shaped analyses between local perimetric losses and reduction of the retinal nerve fiber layer thickness showed a significant association for corresponding areas except for the central visual field in SLP. Correlation coefficients were highest in the area of the nasal inferior visual field (SOCT, -0.81; SLP, -0.57). A linear model describes the association between structural and functional damage. Localized perimetric defects can be explained by reduced nerve fiber layer thickness. The data indicate that the present SOCT is useful for determining the functional-structural relationship in peripapillary areas and that association between perimetric defects and corresponding nerve fiber losses is stronger for SOCT than for the present SLP. (ClinicalTrials.gov number, NCT00494923.).

  7. 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

  8. 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

  9. 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...

  10. 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...

  11. 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

  12. Local and average structure of Mn- and La-substituted BiFeO3

    Science.gov (United States)

    Jiang, Bo; Selbach, Sverre M.

    2017-06-01

    The local and average structure of solid solutions of the multiferroic perovskite BiFeO3 is investigated by synchrotron X-ray diffraction (XRD) and electron density functional theory (DFT) calculations. The average experimental structure is determined by Rietveld refinement and the local structure by total scattering data analyzed in real space with the pair distribution function (PDF) method. With equal concentrations of La on the Bi site or Mn on the Fe site, La causes larger structural distortions than Mn. Structural models based on DFT relaxed geometry give an improved fit to experimental PDFs compared to models constrained by the space group symmetry. Berry phase calculations predict a higher ferroelectric polarization than the experimental literature values, reflecting that structural disorder is not captured in either average structure space group models or DFT calculations with artificial long range order imposed by periodic boundary conditions. Only by including point defects in a supercell, here Bi vacancies, can DFT calculations reproduce the literature results on the structure and ferroelectric polarization of Mn-substituted BiFeO3. The combination of local and average structure sensitive experimental methods with DFT calculations is useful for illuminating the structure-property-composition relationships in complex functional oxides with local structural distortions.

  13. 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.

  14. 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

  15. 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.

  16. 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

  17. Local structure reconstruction in hydrogenated amorphous silicon from angular correlation and synchrotron diffraction studies

    International Nuclear Information System (INIS)

    Britton, D.T.; Minani, E.; Knoesen, D.; Schut, H.; Eijt, S.W.H.; Furlan, F.; Giles, C.; Haerting, M.

    2006-01-01

    Hydrogenated amorphous silicon (a-Si:H) is a widely used thin film semiconductor material which is still incompletely understood. It is generally assumed to form a continuous random network, with a high concentration of coordination defects (dangling bonds), which are hydrogen terminated. Neither the exact nature of these sites nor the degree of medium range order has been fully determined. In this paper, we present the first results for the local structure, from a combined study using angular correlation of positron annihilation radiation (ACAR) and synchrotron radiation diffraction. Reciprocal space information is obtained directly, for the mesoscale structure and the local defect structure, from the orientation dependent diffraction and 2D-ACAR patterns, respectively. Furthermore, inversion of both patterns yields a comparison of real space information through maps of the silicon-silicon pair correlation function and the electron-positron autocorrelation function B 2γ (r). From this information, it is possible to identify the dominant structural defect as a vacancy-size dangling bond cluster, around which the network strain is fully relaxed

  18. 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

  19. 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.

  20. 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.

  1. 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.)

  2. PDF analysis of PuAl alloys local structure

    Energy Technology Data Exchange (ETDEWEB)

    Platteau, C. [CEA Valduc, 21120 Is-sur-Tille (France)], E-mail: platteau.cyril@yahoo.fr; Bruckel, P.; Ravat, B.; Delaunay, F. [CEA Valduc, 21120 Is-sur-Tille (France)

    2009-03-15

    For understanding singular properties of plutonium, there is a need in studying the average and local atomic structure in Pu alloys. To study the local structure of the {delta} phase, a pair distribution function (PDF) analysis was done and has shown some significant differences with the average structure.

  3. Study of local structure by DAFS

    International Nuclear Information System (INIS)

    Mizuki, Jun-ichiro

    1997-01-01

    We will describe a rather new X-ray structural technique, Diffraction Anomalous Fine Structure (DAFS), in which the Bragg diffraction intensities of a fixed momentum transfer is measured as a function of the incident X-ray energy. This technique can provide the same short-range structural information as XAFS. Because DAFS combines the capabilities of diffraction and XAFS into a single technique, it has two enhanced sensitivities compared to the separate technique. These are 'spatial selectivity' and 'site selectivity'. In this chapter semiconductor interface structure study as an example for spatial selectivity and structural study of high Tc superconductor as an example for site selectivity will be shown. (author)

  4. 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

  5. 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.

  6. 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.

  7. Towards structural controllability of local-world networks

    International Nuclear Information System (INIS)

    Sun, Shiwen; Ma, Yilin; Wu, Yafang; Wang, Li; Xia, Chengyi

    2016-01-01

    Controlling complex networks is of vital importance in science and engineering. Meanwhile, local-world effect is an important ingredient which should be taken into consideration in the complete description of real-world complex systems. In this letter, structural controllability of a class of local-world networks is investigated. Through extensive numerical simulations, firstly, effects of local world size M and network size N on structural controllability are examined. For local-world networks with sparse topological configuration, compared to network size, local-world size can induce stronger influence on controllability, however, for dense networks, controllability is greatly affected by network size and local-world effect can be neglected. Secondly, relationships between controllability and topological properties are analyzed. Lastly, the robustness of local-world networks under targeted attacks regarding structural controllability is discussed. These results can help to deepen the understanding of structural complexity and connectivity patterns of complex systems. - Highlights: • Structural controllability of a class of local-world networks is investigated. • For sparse local-world networks, compared to network size, local-world size can bring stronger influence on controllability. • For dense networks, controllability is greatly affected by network size and the effect of local-world size can be neglected. • Structural controllability against targeted node attacks is discussed.

  8. Towards structural controllability of local-world networks

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Shiwen, E-mail: sunsw80@126.com [Tianjin Key Laboratory of Intelligence Computing and Novel Software Technology, Tianjin University of Technology, Tianjin 300384 (China); Key Laboratory of Computer Vision and System (Tianjin University of Technology), Ministry of Education, Tianjin 300384 (China); Ma, Yilin; Wu, Yafang; Wang, Li; Xia, Chengyi [Tianjin Key Laboratory of Intelligence Computing and Novel Software Technology, Tianjin University of Technology, Tianjin 300384 (China); Key Laboratory of Computer Vision and System (Tianjin University of Technology), Ministry of Education, Tianjin 300384 (China)

    2016-05-20

    Controlling complex networks is of vital importance in science and engineering. Meanwhile, local-world effect is an important ingredient which should be taken into consideration in the complete description of real-world complex systems. In this letter, structural controllability of a class of local-world networks is investigated. Through extensive numerical simulations, firstly, effects of local world size M and network size N on structural controllability are examined. For local-world networks with sparse topological configuration, compared to network size, local-world size can induce stronger influence on controllability, however, for dense networks, controllability is greatly affected by network size and local-world effect can be neglected. Secondly, relationships between controllability and topological properties are analyzed. Lastly, the robustness of local-world networks under targeted attacks regarding structural controllability is discussed. These results can help to deepen the understanding of structural complexity and connectivity patterns of complex systems. - Highlights: • Structural controllability of a class of local-world networks is investigated. • For sparse local-world networks, compared to network size, local-world size can bring stronger influence on controllability. • For dense networks, controllability is greatly affected by network size and the effect of local-world size can be neglected. • Structural controllability against targeted node attacks is discussed.

  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. 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...

  11. 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.

  12. Local conservation laws and the structure of the many-body localized states.

    Science.gov (United States)

    Serbyn, Maksym; Papić, Z; Abanin, Dmitry A

    2013-09-20

    We construct a complete set of local integrals of motion that characterize the many-body localized (MBL) phase. Our approach relies on the assumption that local perturbations act locally on the eigenstates in the MBL phase, which is supported by numerical simulations of the random-field XXZ spin chain. We describe the structure of the eigenstates in the MBL phase and discuss the implications of local conservation laws for its nonequilibrium quantum dynamics. We argue that the many-body localization can be used to protect coherence in the system by suppressing relaxation between eigenstates with different local integrals of motion.

  13. 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.

  14. 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

  15. 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.

  16. 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.

  17. Structural defects in natural plastically deformed diamonds: Evidence from EPR spectroscopy

    Science.gov (United States)

    Mineeva, R. M.; Titkov, S. V.; Speransky, A. V.

    2009-06-01

    Structural defects formed as a result of plastic deformation in natural diamond crystals have been studied by EPR spectroscopy. The spectra of brown, pink-brown, black-brown, pink-purple, and gray plastically deformed diamonds of type Ia from deposits in Yakutia and the Urals were recorded. The results of EPR spectroscopy allowed us to identify various deformation centers in the structure of natural diamonds and to show that nitrogen centers were transformed under epigenetic mechanical loading. Abundant A centers, consisting of two isomorphic nitrogen atoms located in neighboring structural sites, were destroyed as a result of this process to form a series of N1, N4, W7, M2, and M3 nitrogen centers. Such centers are characterized by an anisotropic spatial distribution and a positive charge, related to the mechanism of their formation. In addition, N2 centers (probably, deformation-produced dislocations decorated by nitrogen) were formed in all plastically deformed diamonds and W10 and W35 centers (the models have not been finally ascertained) were formed in some of them. It has been established that diamonds with various types of deformation-induced color contain characteristic associations of these deformation centers. The diversity of associations of deformation centers indicates appreciable variations in conditions of disintegration of deep-seated rocks, transfer of diamonds to the Earth’s surface, and formation of kimberlitic deposits. Depending on the conditions of mechanical loading, the diamond crystals were plastically deformed by either dislocation gliding or mechanical twinning. Characteristic features of plastic deformation by dislocation gliding are the substantial prevalence of the N2 centers over other deformation centers and the occurrence of the high-spin W10 and W35 centers. The attributes of less frequent plastic deformation by mechanical twinning are unusual localization of the M2 centers and, in some cases, the N1 centers in microtwinned

  18. 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....

  19. 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.

  20. 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.

  1. 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

  2. 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

  3. 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.

  4. 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.

  5. 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.

  6. 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

  7. 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.

  8. 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.

  9. 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.)

  10. 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.

  11. How the Method of Synthesis Governs the Local and Global Structure of Zinc Aluminum Layered Double Hydroxides

    DEFF Research Database (Denmark)

    Puschparaj, Suraj S. C.; Forano, Claude; Prevot, Vanessa

    2015-01-01

    the LDH particles or separate phase(s) associated with LDHs. In contrast, samples prepared by co-precipitation with careful pH control and hydrothermal treated have high local order and good crystallinity (large particle size). Our results show that both local (NMR) and bulk techniques are needed...... to assess the composition of LDHs, as the conventional PXRD and TEM analysis of LDHs failed to identify the many structural defects and/or amorphous phases present....

  12. 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

  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. 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

  15. Enhancing community detection by using local structural information

    International Nuclear Information System (INIS)

    Xiang, Ju; Bao, Mei-Hua; Tang, Liang; Li, Jian-Ming; Hu, Ke; Chen, Benyan; Hu, Jing-Bo; Zhang, Yan; Tang, Yan-Ni; Gao, Yuan-Yuan

    2016-01-01

    Many real-world networks, such as gene networks, protein–protein interaction networks and metabolic networks, exhibit community structures, meaning the existence of groups of densely connected vertices in the networks. Many local similarity measures in the networks are closely related to the concept of the community structures, and may have a positive effect on community detection in the networks. Here, various local similarity measures are used to extract local structural information, which is then applied to community detection in the networks by using the edge-reweighting strategy. The effect of the local similarity measures on community detection is carefully investigated and compared in various networks. The experimental results show that the local similarity measures are crucial for the improvement of community detection methods, while the positive effect of the local similarity measures is closely related to the networks under study and applied community detection methods. (paper: interdisciplinary statistical mechanics)

  16. 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

  17. 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.

  18. Local structure of gallate proton conductors

    Energy Technology Data Exchange (ETDEWEB)

    Giannici, F; Messana, D; Martorana, A [Universita degli Studi di Palermo, Dipartimento di Chimica Inorganica ed Analitica, Viale delle Scienze, I-90128 Palermo (Italy); Longo, A [CNR, Istituto per lo studio dei materiali nanostrutturati, Via Ugo La Malfa 153, I-90146 Palermo (Italy); Sciortino, L, E-mail: sciortino@pa.ismn.cnr.i

    2009-11-15

    Lanthanum barium gallate proton conductors are based on disconnected GaO{sub 4} groups. The insertion of hydroxyls in the LaBaGaO{sub 4} network proceeds through self-doping with Ba{sup 2+}, consequent O{sup 2-} vacancy formation to fulfill charge neutrality. With a structural investigation on self-doped LaBaGaO{sub 4} oxides using synchrotron XRD and EXAFS on the Ga K-edge, we find that: (a) the GaO{sub 4} tetrahedra retain their size throughout the whole series; (b) the GaO{sub 4} tetrahedra rotate as rigid bodies on hydration, leading to the formation of a network of shorter O-O configurations that are stabilized by hydrogen bonds; (c) contraction of the lattice occurs along the a unit cell axis, as a consequence of an overall structural rearrangement of the hydrated solid.

  19. Local structure of gallate proton conductors

    International Nuclear Information System (INIS)

    Giannici, F; Messana, D; Martorana, A; Longo, A; Sciortino, L

    2009-01-01

    Lanthanum barium gallate proton conductors are based on disconnected GaO 4 groups. The insertion of hydroxyls in the LaBaGaO 4 network proceeds through self-doping with Ba 2+ , consequent O 2- vacancy formation to fulfill charge neutrality. With a structural investigation on self-doped LaBaGaO 4 oxides using synchrotron XRD and EXAFS on the Ga K-edge, we find that: (a) the GaO 4 tetrahedra retain their size throughout the whole series; (b) the GaO 4 tetrahedra rotate as rigid bodies on hydration, leading to the formation of a network of shorter O-O configurations that are stabilized by hydrogen bonds; (c) contraction of the lattice occurs along the a unit cell axis, as a consequence of an overall structural rearrangement of the hydrated solid.

  20. Local structure of gallate proton conductors

    Science.gov (United States)

    Giannici, F.; Messana, D.; Longo, A.; Sciortino, L.; Martorana, A.

    2009-11-01

    Lanthanum barium gallate proton conductors are based on disconnected GaO4 groups. The insertion of hydroxyls in the LaBaGaO4 network proceeds through self-doping with Ba2+, consequent O2- vacancy formation to fulfill charge neutrality. With a structural investigation on self-doped LaBaGaO4 oxides using synchrotron XRD and EXAFS on the Ga K-edge, we find that: (a) the GaO4 tetrahedra retain their size throughout the whole series; (b) the GaO4 tetrahedra rotate as rigid bodies on hydration, leading to the formation of a network of shorter O-O configurations that are stabilized by hydrogen bonds; (c) contraction of the lattice occurs along the a unit cell axis, as a consequence of an overall structural rearrangement of the hydrated solid.

  1. 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

  2. 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.

  3. Re-entrant lithium local environments and defect driven electrochemistry of Li- and Mn-rich Li-ion battery cathodes.

    Science.gov (United States)

    Dogan, Fulya; Long, Brandon R; Croy, Jason R; Gallagher, Kevin G; Iddir, Hakim; Russell, John T; Balasubramanian, Mahalingam; Key, Baris

    2015-02-18

    Direct observations of structure-electrochemical activity relationships continue to be a key challenge in secondary battery research. (6)Li magic angle spinning (MAS) nuclear magnetic resonance (NMR) spectroscopy is the only structural probe currently available that can quantitatively characterize local lithium environments on the subnanometer scale that dominates the free energy for site occupation in lithium-ion (Li-ion) intercalation materials. In the present study, we use this local probe to gain new insights into the complex electrochemical behavior of activated 0.5(6)Li2MnO3·0.5(6)LiMn(0.5)Ni(0.5)O2, lithium- and manganese-rich transition-metal (TM) oxide intercalation electrodes. We show direct evidence of path-dependent lithium site occupation, correlated to structural reorganization of the metal oxide and the electrochemical hysteresis, during lithium insertion and extraction. We report new (6)Li resonances centered at ∼1600 ppm that are assigned to LiMn6-TM(tet) sites, specifically, a hyperfine shift related to a small fraction of re-entrant tetrahedral TMs (Mn(tet)), located above or below lithium layers, coordinated to LiMn6 units. The intensity of the TM layer lithium sites correlated with tetrahedral TMs loses intensity after cycling, indicating limited reversibility of TM migrations upon cycling. These findings reveal that defect sites, even in dilute concentrations, can have a profound effect on the overall electrochemical behavior.

  4. Band structures and localization properties of aperiodic layered phononic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Yan Zhizhong, E-mail: zzyan@bit.edu.cn [Department of Applied Mathematics, Beijing Institute of Technology, Beijing 100081 (China); Zhang Chuanzeng [Department of Civil Engineering, University of Siegen, D-57078 Siegen (Germany)

    2012-03-15

    The band structures and localization properties of in-plane elastic waves with coupling of longitudinal and transverse modes oblique propagating in aperiodic phononic crystals based on Thue-Morse and Rudin-Shapiro sequences are studied. Using transfer matrix method, the concept of the localization factor is introduced and the correctness is testified through the Rytov dispersion relation. For comparison, the perfect periodic structure and the quasi-periodic Fibonacci system are also considered. In addition, the influences of the random disorder, local resonance, translational and/or mirror symmetries on the band structures of the aperiodic phononic crystals are analyzed in this paper.

  5. 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

  6. Electronic structure of the actinides and their dioxides. Application to the defect formation energy and krypton solubility in uranium dioxide

    International Nuclear Information System (INIS)

    Petit, T.; CEA Centre d'Etudes de Grenoble, 38

    1996-01-01

    Uranium dioxide is the standard nuclear fuel used in French h power plants. During irradiation, fission products such as krypton and xenon are created inside fuel pellets. So, gas release could become, at very high burnup, a limiting factor in the reactor exploitation. To study this subject, we have realised calculations using the Density Functional Theory (DFT) into the Local Density Approximation (LDA) and the Atomic Sphere Approximation (ASA). First, we have validated our approach by calculating cohesive properties of thorium, protactinium and uranium metals. The good agreement between our results and experimental values implies that 5f electrons are itinerant. Calculated lattice parameter, cohesive energy and bulk modulus for uranium and thorium dioxides are in very good agreement with experiment. We show that binding between uranium and oxygen atoms is not completely ionic but partially covalent. The question of the electrical conductivity still remains an open problem. We have been able to calculate punctual defect formation energies in uranium dioxide. Accordingly to experimental observations, we find that it is easier to create a defect in the oxygen sublattice than in the uranium sublattice. Finally, we have been able to predict a probable site of krypton atoms in nuclear fuel: the Schottky trio. Experiences of Extended X-ray Absorption Fine structure Spectroscopy (EXAFS) and X-ray Photoelectron Spectroscopy (XPS) on uranium dioxide doped by ionic implantation will help us in the comprehension of the studied phenomena and the interpretation of our calculations. (author)

  7. 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.

  8. Structural Health Monitoring Based on Combined Structural Global and Local Frequencies

    Directory of Open Access Journals (Sweden)

    Jilin Hou

    2014-01-01

    Full Text Available This paper presents a parameter estimation method for Structural Health Monitoring based on the combined measured structural global frequencies and structural local frequencies. First, the global test is experimented to obtain the low order modes which can reflect the global information of the structure. Secondly, the mass is added on the member of structure to increase the local dynamic characteristic and to make the member have local primary frequency, which belongs to structural local frequency and is sensitive to local parameters. Then the parameters of the structure can be optimized accurately using the combined structural global frequencies and structural local frequencies. The effectiveness and accuracy of the proposed method are verified by the experiment of a space truss.

  9. 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)

  10. 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

  11. 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

  12. Local and average structure of Mn- and La-substituted BiFeO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Bo; Selbach, Sverre M., E-mail: selbach@ntnu.no

    2017-06-15

    The local and average structure of solid solutions of the multiferroic perovskite BiFeO{sub 3} is investigated by synchrotron X-ray diffraction (XRD) and electron density functional theory (DFT) calculations. The average experimental structure is determined by Rietveld refinement and the local structure by total scattering data analyzed in real space with the pair distribution function (PDF) method. With equal concentrations of La on the Bi site or Mn on the Fe site, La causes larger structural distortions than Mn. Structural models based on DFT relaxed geometry give an improved fit to experimental PDFs compared to models constrained by the space group symmetry. Berry phase calculations predict a higher ferroelectric polarization than the experimental literature values, reflecting that structural disorder is not captured in either average structure space group models or DFT calculations with artificial long range order imposed by periodic boundary conditions. Only by including point defects in a supercell, here Bi vacancies, can DFT calculations reproduce the literature results on the structure and ferroelectric polarization of Mn-substituted BiFeO{sub 3}. The combination of local and average structure sensitive experimental methods with DFT calculations is useful for illuminating the structure-property-composition relationships in complex functional oxides with local structural distortions. - Graphical abstract: The experimental and simulated partial pair distribution functions (PDF) for BiFeO{sub 3}, BiFe{sub 0.875}Mn{sub 0.125}O{sub 3}, BiFe{sub 0.75}Mn{sub 0.25}O{sub 3} and Bi{sub 0.9}La{sub 0.1}FeO{sub 3}.

  13. 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.

  14. 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.

  15. A generative, probabilistic model of local protein structure

    DEFF Research Database (Denmark)

    Boomsma, Wouter; Mardia, Kanti V.; Taylor, Charles C.

    2008-01-01

    Despite significant progress in recent years, protein structure prediction maintains its status as one of the prime unsolved problems in computational biology. One of the key remaining challenges is an efficient probabilistic exploration of the structural space that correctly reflects the relative...... conformational stabilities. Here, we present a fully probabilistic, continuous model of local protein structure in atomic detail. The generative model makes efficient conformational sampling possible and provides a framework for the rigorous analysis of local sequence-structure correlations in the native state...

  16. Minority carrier diffusion, defects, and localization in InGaAsN, with 2% nitrogen

    International Nuclear Information System (INIS)

    Kurtz, Steven R.; Allerman, A. A.; Seager, C. H.; Sieg, R. M.; Jones, E. D.

    2000-01-01

    Electron and hole transport in compensated InGaAsN (≅2% N) are examined through Hall mobility, photoconductivity, and solar cell photoresponse measurements. Short minority carrier diffusion lengths, photoconductive-response spectra, and doping dependent, thermally activated Hall mobilities reveal a broad distribution of localized states. At this stage of development, lateral carrier transport appears to be limited by large scale (>> mean free path) material inhomogeneities, not a random alloy-induced mobility edge. (c) 2000 American Institute of Physics

  17. Automated Localization of Multiple Pelvic Bone Structures on MRI.

    Science.gov (United States)

    Onal, Sinan; Lai-Yuen, Susana; Bao, Paul; Weitzenfeld, Alfredo; Hart, Stuart

    2016-01-01

    In this paper, we present a fully automated localization method for multiple pelvic bone structures on magnetic resonance images (MRI). Pelvic bone structures are at present identified manually on MRI to locate reference points for measurement and evaluation of pelvic organ prolapse (POP). Given that this is a time-consuming and subjective procedure, there is a need to localize pelvic bone structures automatically. However, bone structures are not easily differentiable from soft tissue on MRI as their pixel intensities tend to be very similar. In this paper, we present a model that combines support vector machines and nonlinear regression capturing global and local information to automatically identify the bounding boxes of bone structures on MRI. The model identifies the location of the pelvic bone structures by establishing the association between their relative locations and using local information such as texture features. Results show that the proposed method is able to locate the bone structures of interest accurately (dice similarity index >0.75) in 87-91% of the images. This research aims to enable accurate, consistent, and fully automated localization of bone structures on MRI to facilitate and improve the diagnosis of health conditions such as female POP.

  18. Enhancement of spin polarization induced by Coulomb on-site repulsion between localized pz electrons in graphene embedded with line defects.

    Science.gov (United States)

    Ren, Ji-Chang; Wang, Zhigang; Zhang, Rui-Qin; Ding, Zejun; Van Hove, Michel A

    2015-11-11

    It is well known that the effect of Coulomb on-site repulsion can significantly alter the physical properties of the systems that contain localized d and/or f electrons. However, little attention has been paid to the Coulomb on-site repulsion between localized p electrons. In this study, we demonstrated that Coulomb on-site repulsion between localized pz electrons also plays an important role in graphene embedded with line defects. It is shown that the magnetism of the system largely depends on the choice of the effective Coulomb on-site parameter Ueff. Ueff at the edges of the defect enhances the exchange splitting, which increases the magnetic moment and stabilizes a ferromagnetic state of the system. In contrast, Ueff at the center of the defect weakens the spin polarization of the system. The behavior of the magnetism is explained with the Stoner criterion and the charge accumulation at the edges of the defect. Based on the linear response approach, we estimate reasonable values of Ueff to be 2.55 eV (2.3 eV) at the center (edges) of the defects. More importantly, using a DFT+U+J method, we find that exchange interactions between localized p electrons also play an important role in the spin polarization of the system. These results imply that Coulomb on-site repulsion is necessary to describe the strong interaction between localized pz electrons of carbon related materials.

  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. 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. 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)

  2. 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.

  3. 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

  4. 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.

  5. 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%.

  6. 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.

  7. 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.

  8. Local Fine Structural Insight into Mechanism of Electrochemical Passivation of Titanium.

    Science.gov (United States)

    Wang, Lu; Yu, Hongying; Wang, Ke; Xu, Haisong; Wang, Shaoyang; Sun, Dongbai

    2016-07-20

    Electrochemically formed passive film on titanium in 1.0 M H2SO4 solution and its thickness, composition, chemical state, and local fine structure are examined by Auger electron spectroscopy (AES), X-ray photoelectron spectroscopy (XPS), and X-ray absorption fine structure. AES analysis reveals that the thickness and composition of oxide film are proportional to the reciprocal of current density in potentiodynamic polarization. XPS depth profiles of the chemical states of titanium exhibit the coexistence of various valences cations in the surface. Quantitative X-ray absorption near edge structure analysis of the local electronic structure of the topmost surface (∼5.0 nm) shows that the ratio of [TiO2]/[Ti2O3] is consistent with that of passivation/dissolution of electrochemical activity. Theoretical calculation and analysis of extended X-ray absorption fine structure spectra at Ti K-edge indicate that both the structures of passivation and dissolution are distorted caused by the appearance of two different sites of Ti-O and Ti-Ti. And the bound water in the topmost surface plays a vital role in structural disorder confirmed by XPS. Overall, the increase of average Ti-O coordination causes the electrochemical passivation, and the dissolution is due to the decrease of average Ti-Ti coordination. The structural variations of passivation in coordination number and interatomic distance are in good agreement with the prediction of point defect model.

  9. 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.

  10. 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

  11. Electron paramagnetic resonance parameters and local structure for ...

    Indian Academy of Sciences (India)

    HUA-MING ZHANG. 1. , GUANG-DUO LU. 1 ... the above ZFSs, the local structure information for the impurity Gd. 3+ is obtained, i.e., .... parameters, extended X-ray absorption fine-structure (EXAFS) measurements and crystal-field spectrum ...

  12. 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)

  13. Structure of local interactions in complex financial dynamics.

    Science.gov (United States)

    Jiang, X F; Chen, T T; Zheng, B

    2014-06-17

    With the network methods and random matrix theory, we investigate the interaction structure of communities in financial markets. In particular, based on the random matrix decomposition, we clarify that the local interactions between the business sectors (subsectors) are mainly contained in the sector mode. In the sector mode, the average correlation inside the sectors is positive, while that between the sectors is negative. Further, we explore the time evolution of the interaction structure of the business sectors, and observe that the local interaction structure changes dramatically during a financial bubble or crisis.

  14. An online substructure identification method for local structural health monitoring

    International Nuclear Information System (INIS)

    Hou, Jilin; Ou, Jinping; Jankowski, Łukasz

    2013-01-01

    This paper proposes a substructure isolation method, which uses time series of measured local response for online monitoring of substructures. The proposed monitoring process consists of two key steps: construction of the isolated substructure, and its identification. The isolated substructure is an independent virtual structure, which is numerically isolated from the global structure by placing virtual supports on the interface. First, the isolated substructure is constructed by a specific linear combination of time series of its measured local responses. Then, the isolated substructure is identified using its local natural frequencies extracted from the combined responses. The substructure is assumed to be linear; the outside part of the global structure can have any characteristics. The method has no requirements on the initial state of the structure, and so the process can be carried out repetitively for online monitoring. Online isolation and monitoring is illustrated in a numerical example with a frame model, and then verified in a cantilever beam experiment. (paper)

  15. 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.

  16. Global/local methods for probabilistic structural analysis

    Science.gov (United States)

    Millwater, H. R.; Wu, Y.-T.

    1993-04-01

    A probabilistic global/local method is proposed to reduce the computational requirements of probabilistic structural analysis. A coarser global model is used for most of the computations with a local more refined model used only at key probabilistic conditions. The global model is used to establish the cumulative distribution function (cdf) and the Most Probable Point (MPP). The local model then uses the predicted MPP to adjust the cdf value. The global/local method is used within the advanced mean value probabilistic algorithm. The local model can be more refined with respect to the g1obal model in terms of finer mesh, smaller time step, tighter tolerances, etc. and can be used with linear or nonlinear models. The basis for this approach is described in terms of the correlation between the global and local models which can be estimated from the global and local MPPs. A numerical example is presented using the NESSUS probabilistic structural analysis program with the finite element method used for the structural modeling. The results clearly indicate a significant computer savings with minimal loss in accuracy.

  17. 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.

  18. 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.)

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. Local thermal energy as a structural indicator in glasses

    Science.gov (United States)

    Zylberg, Jacques; Lerner, Edan; Bar-Sinai, Yohai; Bouchbinder, Eran

    2017-07-01

    Identifying heterogeneous structures in glasses—such as localized soft spots—and understanding structure-dynamics relations in these systems remain major scientific challenges. Here, we derive an exact expression for the local thermal energy of interacting particles (the mean local potential energy change caused by thermal fluctuations) in glassy systems by a systematic low-temperature expansion. We show that the local thermal energy can attain anomalously large values, inversely related to the degree of softness of localized structures in a glass, determined by a coupling between internal stresses—an intrinsic signature of glassy frustration—anharmonicity and low-frequency vibrational modes. These anomalously large values follow a fat-tailed distribution, with a universal exponent related to the recently observed universal ω4ω4 density of states of quasilocalized low-frequency vibrational modes. When the spatial thermal energy field—a “softness field”—is considered, this power law tail manifests itself by highly localized spots, which are significantly softer than their surroundings. These soft spots are shown to be susceptible to plastic rearrangements under external driving forces, having predictive powers that surpass those of the normal modes-based approach. These results offer a general, system/model-independent, physical/observable-based approach to identify structural properties of quiescent glasses and relate them to glassy dynamics.

  4. 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.

  5. 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.

  6. Locally Advanced Cheek Carcinoma; Radical Surgery and Reconstruction of Though and Through Defects

    International Nuclear Information System (INIS)

    Denewer, A.T.; Steet, A.E.; Mohamed, O.H.; Aly, O.F.

    2006-01-01

    Background: Squamous cell carcinoma of the cheek is a locoregionally aggressive tumor. Radical resection may be curative in cases of large tumor without distant metastases. We reviewed forty eight consecutive cases of Sq.c.c. of the oral cavity to evaluate the feasibility and efficacy of the reconstructive method. Patients and Methods: Forty eight cases of invasive Sq.c.c. affecting the cheek performed in Mansoura University, Surgical Oncology Department. From November 2001 to October 2004 were included. Twenty cafes presented primarily, and 28 were relapsing after previous surgery or radiotherapy. Tumors of T 3 and T 4 size were included. Radical excision with adequate safety margin followed by reconstruction was done in the same setting using: A- Double layered pectorals major flap (n=30). B- Pectorals major flap for external surface and tongue flap for mucosal lining (n=10). C- Pectorals major flap plus free Latissmus dorsi flap (n=3). D- Latissmus dorsi flap plus tongue flap (n=5). Results: Nine cases (18.7%) had local and distant relapse after a median follow up period of 36 months. However, total flap loss was not encountered. There were partial loss of three tongue flaps, seven pectorals flaps corrected with debridement and re approximation. Two patients had oral incompetence. Orocutaneous salivary fistula persistent more than three weeks occurred in eight patients. Functional outcome in terms of oral competence, sensibility, chewing movements was satisfactory in all but three cases. In Conclusion: Radical resection of extensive cheek carcinoma and reconstruction using pedicled flaps is an effective, economic and reliable method for oncologic and functional purposes

  7. Sampling Realistic Protein Conformations Using Local Structural Bias

    DEFF Research Database (Denmark)

    Hamelryck, Thomas Wim; Kent, John T.; Krogh, A.

    2006-01-01

    The prediction of protein structure from sequence remains a major unsolved problem in biology. The most successful protein structure prediction methods make use of a divide-and-conquer strategy to attack the problem: a conformational sampling method generates plausible candidate structures, which...... are subsequently accepted or rejected using an energy function. Conceptually, this often corresponds to separating local structural bias from the long-range interactions that stabilize the compact, native state. However, sampling protein conformations that are compatible with the local structural bias encoded...... in a given protein sequence is a long-standing open problem, especially in continuous space. We describe an elegant and mathematically rigorous method to do this, and show that it readily generates native-like protein conformations simply by enforcing compactness. Our results have far-reaching implications...

  8. Use of normal and electronic interferometric holography for defect localization and characterization of artifacts

    Science.gov (United States)

    Boone, Pierre M.; Markov, Vladimir B.

    1995-02-01

    Deterioration of natural stone, man-made building materials such as mortar, bricks and concrete, and other materials such as wood, paint, glass, metal, etc. has been of increasing concern in recent decades. More specifically, problems of lifetime and durability of reinforced concrete structures on the one hand and museum objects diagnostic on the other became more important due to different factors. Since the late seventies, all this had led to intensified research about the causes and the nature of degradation processes and to the development of general strategies for handling such situations. Environmental factors are often cited as major parameters, but the concept, design, and manufacture of the elements are also very important. Both from the civil engineering point of view, and from the restoration aspects, early detection of damage can save a lot of trouble, labor, and thus money. Holographic interferometry is in principle a method very well suited for this purpose, as it combines whole-field measurement and high sensitivity with non-contact and non-preparation of the materials studied. This paper describes some results obtained on real-size, real-life objects. Up to now, tests were conducted in the lab using continuous and pulsed lasers combined with silver-halide and electronic recording schemes. It is hoped that in a later phase, in-situ experiments will be effectuated; some preliminary concepts of that are discussed.

  9. Defect in assimilation following combined radiation and chemotherapy in patients with locally unresectable pancreatic carcinoma

    International Nuclear Information System (INIS)

    Barkin, J.S.; Kalser, M.H.; Thomsen, S.; Redlhammer, D.

    1982-01-01

    The relative contributions of high-dose irradiation and/or chemotherapy to the nutritional problems of patients with inoperable pancreatic carcinoma were evaluated by study of pancreatic exocrine function and jejunal function and morphologic findings in ten patients before and after treatment. Nutrient assimilation studies included determination of serum carotene levels, D-xylose absorption and fat absorption. Crosby capsule biopsy specimen of jejunal mucosa were evaluated with light microscopy. Fat assimilation was the only parameter of nutritional function to significantly worsen after therapy. Low serum carotene levels present in the patients before therapy remained low but did not significantly change after treatment. D-xylose absorption and the morphologic structure of the jejunal mucosa were normal before and after treatment. These findings support the previous observations that the nutritional problems of the patient with inoperable pancreatic carcinoma are due to pancreatic insufficiency and that high dose irradiation and chemotherapy can exacerbate the pancreatic insufficiency but do not produce jejunal dysfunction. Therefore, it is suggested that pancreatic exocrine replacement therapy may improve the nutritional status of these patients

  10. 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.

  11. 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

  12. 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

  13. 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

  14. 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

  15. Elimination of trench defects and V-pits from InGaN/GaN structures

    International Nuclear Information System (INIS)

    Smalc-Koziorowska, Julita; Grzanka, Ewa; Czernecki, Robert; Schiavon, Dario; Leszczyński, Mike

    2015-01-01

    The microstructural evolution of InGaN/GaN multiple quantum wells grown by metalorganic chemical vapor phase epitaxy was studied as a function of the growth temperature of the GaN quantum barriers (QBs). We observed the formation of basal stacking faults (BSFs) in GaN QBs grown at low temperature. The presence of BSFs terminated by stacking mismatch boundaries (SMBs) leads to the opening of the structure at the surface into a V-shaped trench loop. This trench may form above an SMB, thereby terminating the BSF, or above a junction between the SMB and a subsequent BSF. Fewer BSFs and thus fewer trench defects were observed in GaN QBs grown at temperatures higher than 830 °C. Further increase in the growth temperature of the GaN QBs led to the suppression of the threading dislocation opening into V-pits

  16. Compact and Wide Stopband Lowpass Filter Using Open Complementary Split Ring Resonator and Defected Ground Structure

    Directory of Open Access Journals (Sweden)

    S. S. Karthikeyan

    2015-09-01

    Full Text Available A compact (0.16 λg x 0.08 λg and wide stop¬band lowpass filter design using open complementary split ring resonator (OCSRR and defected ground structure (DGS is presented in this paper. Low pass filter is con-structed using two cascaded stages of OCSRR. Since the rejection bandwidth of the OCSRR is narrow, tapered dumbbell shaped DGS section is placed under the OCSRR to enhance the bandwidth. The cutoff frequency (fc of the proposed lowpass filter is 1.09 GHz. The rejection band¬width of the filter covers the entire ultra wideband spec¬trum. Hence the spurious passband suppression is achieved up to 10 fc. The designed filter has been fabri¬cated and validated by experimental results

  17. 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.

  18. 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.

  19. 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.

  20. Taking advantage of local structure descriptors to analyze interresidue contacts in protein structures and protein complexes.

    Science.gov (United States)

    Martin, Juliette; Regad, Leslie; Etchebest, Catherine; Camproux, Anne-Claude

    2008-11-15

    Interresidue protein contacts in proteins structures and at protein-protein interface are classically described by the amino acid types of interacting residues and the local structural context of the contact, if any, is described using secondary structures. In this study, we present an alternate analysis of interresidue contact using local structures defined by the structural alphabet introduced by Camproux et al. This structural alphabet allows to describe a 3D structure as a sequence of prototype fragments called structural letters, of 27 different types. Each residue can then be assigned to a particular local structure, even in loop regions. The analysis of interresidue contacts within protein structures defined using Voronoï tessellations reveals that pairwise contact specificity is greater in terms of structural letters than amino acids. Using a simple heuristic based on specificity score comparison, we find that 74% of the long-range contacts within protein structures are better described using structural letters than amino acid types. The investigation is extended to a set of protein-protein complexes, showing that the similar global rules apply as for intraprotein contacts, with 64% of the interprotein contacts best described by local structures. We then present an evaluation of pairing functions integrating structural letters to decoy scoring and show that some complexes could benefit from the use of structural letter-based pairing functions.

  1. Structure-aware Local Sparse Coding for Visual Tracking

    KAUST Repository

    Qi, Yuankai

    2018-01-24

    Sparse coding has been applied to visual tracking and related vision problems with demonstrated success in recent years. Existing tracking methods based on local sparse coding sample patches from a target candidate and sparsely encode these using a dictionary consisting of patches sampled from target template images. The discriminative strength of existing methods based on local sparse coding is limited as spatial structure constraints among the template patches are not exploited. To address this problem, we propose a structure-aware local sparse coding algorithm which encodes a target candidate using templates with both global and local sparsity constraints. For robust tracking, we show local regions of a candidate region should be encoded only with the corresponding local regions of the target templates that are the most similar from the global view. Thus, a more precise and discriminative sparse representation is obtained to account for appearance changes. To alleviate the issues with tracking drifts, we design an effective template update scheme. Extensive experiments on challenging image sequences demonstrate the effectiveness of the proposed algorithm against numerous stateof- the-art methods.

  2. 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.

  3. Local Conduction in MoxW1–xSe2: The Role of Stacking Faults, Defects, and Alloying

    Science.gov (United States)

    2018-01-01

    Here, we report on the surface conductivity of WSe2 and MoxW1–xSe2 (0 ≤ x ≤ 1) crystals investigated with conductive atomic force microscopy. We found that stacking faults, defects, and chemical heterogeneities form distinct two-dimensional and one-dimensional conduction paths on the transition metal dichalcogenide surface. In the case of WSe2, in addition to step edges, we find a significant amount of stacking faults (formed during the cleaving process) that strongly influence the surface conductivity. These regions are attributed to the alternation of the 2H and 3R polytypism. The stacking faults form regular 2D patterns by alternation of the underlying stacking order, with a periodicity that varies significantly between different regions and samples. In the case of MoxW1–xSe2, its conductivity has a localized nature, which depends on the underlying chemical composition and the Mo/W ratio. Segregation to W-rich and Mo-rich regions during the growth process leads to nonuniform conduction paths on the surface of the alloy. We found a gradual change of the conductivity moving from one region to the other, reminiscent of lateral band bending. Our results demonstrate the use of C-AFM as a nanoscopic tool to probe the electrical properties of largely inhomogeneous samples and show the complicated nature of the surface conductivity of TMDC alloys. PMID:29578328

  4. Local Conduction in Mo xW1- xSe2: The Role of Stacking Faults, Defects, and Alloying.

    Science.gov (United States)

    Bampoulis, Pantelis; Sotthewes, Kai; Siekman, Martin H; Zandvliet, Harold J W

    2018-04-18

    Here, we report on the surface conductivity of WSe 2 and Mo x W 1- x Se 2 (0 ≤ x ≤ 1) crystals investigated with conductive atomic force microscopy. We found that stacking faults, defects, and chemical heterogeneities form distinct two-dimensional and one-dimensional conduction paths on the transition metal dichalcogenide surface. In the case of WSe 2 , in addition to step edges, we find a significant amount of stacking faults (formed during the cleaving process) that strongly influence the surface conductivity. These regions are attributed to the alternation of the 2H and 3R polytypism. The stacking faults form regular 2D patterns by alternation of the underlying stacking order, with a periodicity that varies significantly between different regions and samples. In the case of Mo x W 1- x Se 2 , its conductivity has a localized nature, which depends on the underlying chemical composition and the Mo/W ratio. Segregation to W-rich and Mo-rich regions during the growth process leads to nonuniform conduction paths on the surface of the alloy. We found a gradual change of the conductivity moving from one region to the other, reminiscent of lateral band bending. Our results demonstrate the use of C-AFM as a nanoscopic tool to probe the electrical properties of largely inhomogeneous samples and show the complicated nature of the surface conductivity of TMDC alloys.

  5. Genetic structure among the local chicken ecotypes of Tanzania ...

    African Journals Online (AJOL)

    A study was conducted to evaluate the genetic structure of local chicken ecotypes of Tanzania using 20 polymorphic microsatellite DNA markers. A standard PCR was followed by manual genotyping (6% native polyacrylamide gel visualized by silver staining). Phylogenetic analysis of 13 individuals from each of the nine ...

  6. Topology Optimization of Continuum Structures with Local Stress Constraints

    DEFF Research Database (Denmark)

    Duysinx, Pierre; Bendsøe, Martin P

    1998-01-01

    We introduce an extension of current technologies for topology optimization of continuum structures which allows for treating local stress criteria. We first consider relevant stress criteria for porous composite materials, initially by studying the stress states of the so-called rank 2 layered m...

  7. Local fit evaluation of structural equation models using graphical criteria.

    Science.gov (United States)

    Thoemmes, Felix; Rosseel, Yves; Textor, Johannes

    2018-03-01

    Evaluation of model fit is critically important for every structural equation model (SEM), and sophisticated methods have been developed for this task. Among them are the χ² goodness-of-fit test, decomposition of the χ², derived measures like the popular root mean square error of approximation (RMSEA) or comparative fit index (CFI), or inspection of residuals or modification indices. Many of these methods provide a global approach to model fit evaluation: A single index is computed that quantifies the fit of the entire SEM to the data. In contrast, graphical criteria like d-separation or trek-separation allow derivation of implications that can be used for local fit evaluation, an approach that is hardly ever applied. We provide an overview of local fit evaluation from the viewpoint of SEM practitioners. In the presence of model misfit, local fit evaluation can potentially help in pinpointing where the problem with the model lies. For models that do fit the data, local tests can identify the parts of the model that are corroborated by the data. Local tests can also be conducted before a model is fitted at all, and they can be used even for models that are globally underidentified. We discuss appropriate statistical local tests, and provide applied examples. We also present novel software in R that automates this type of local fit evaluation. (PsycINFO Database Record (c) 2018 APA, all rights reserved).

  8. 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.

  9. 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....

  10. 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.

  11. 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

  12. Analysis of local influences in structural details of the bridges

    Directory of Open Access Journals (Sweden)

    Adam RUDZIK

    2015-03-01

    Full Text Available The article analyses the problems of local influences in structural details of bridges as the critical locations, whose damages or excessive force may directly affect the safety of users. These analyses are shown on selected examples. Presented is the example of local changes in the forms of proper vibrations in the node of the truss bridge that can be used in expert issues concerning the causes of damages. The second example are the changes in stresses in the stay cable anchorage element including the nonlinear material models. Models of this type can be successfully used by engineers as they allow for analysis of selected structural details without the need for detailed mapping of the entire structure, but only a selected section.

  13. Local magnetic structure determination using polarized neutron holography

    International Nuclear Information System (INIS)

    Szakál, Alex; Markó, Márton; Cser, László

    2015-01-01

    A unique and important property of the neutron is that it possesses magnetic moment. This property is widely used for determination of magnetic structure of crystalline samples observing the magnetic components of the diffraction peaks. Investigations of diffraction patterns give information only about the averaged structure of a crystal but for discovering of local spin arrangement around a specific (e.g., impurity) nucleus remains still a challenging problem. Neutron holography is a useful tool to investigate the local structure around a specific nucleus embedded in a crystal lattice. The method has been successfully applied experimentally in several cases using non-magnetic short range interaction of the neutron and the nucleus. A mathematical model of the hologram using interaction between magnetic moment of the atom and the neutron spin for polarized neutron holography is provided. Validity of a polarized neutron holographic experiment is demonstrated by applying the proposed method on model systems

  14. 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)

  15. 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

  16. 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

  17. 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

  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. Asymmetric Macular Structural Damage Is Associated With Relative Afferent Pupillary Defects in Patients With Glaucoma

    Science.gov (United States)

    Gracitelli, Carolina P. B.; Tatham, Andrew J.; Zangwill, Linda M.; Weinreb, Robert N.; Abe, Ricardo Y.; Diniz-Filho, Alberto; Paranhos, Augusto; Baig, Saif; Medeiros, Felipe A.

    2016-01-01

    Purpose We examined the relationship between relative afferent pupillary defects (RAPDs) and macular structural damage measured by macular thickness and macular ganglion cell-inner plexiform layer (mGCIPL) thickness in patients with glaucoma. Methods A cross-sectional study was done of 106 glaucoma patients and 85 healthy individuals from the Diagnostic Innovations in Glaucoma Study. All subjects underwent standard automated perimetry (SAP) and optic nerve and macular imaging using Cirrus Spectral Domain Optical Coherence Tomography (SDOCT). Glaucoma was defined as repeatable abnormal SAP or progressive glaucomatous changes on stereo photographs. Pupil responses were assessed using an automated pupillometer, which records the magnitude of RAPD (RAPD score), with additional RAPD scores recorded for each of a series of colored stimuli (blue, red, green, and yellow). The relationship between RAPD score and intereye differences (right minus left eye) in circumpapillary retinal nerve fiber layer (cpRNFL) thickness, mGCIPL, macular thickness, and SAP mean deviation (MD), was examined using linear regression. Results There was fair correlation between RAPD score and asymmetric macular structural damage measured by intereye difference in mGCIPL thickness (R2 = 0.285, P glaucoma. PMID:27064394

  20. Local atomic structure inheritance in Ag50Sn50 melt

    International Nuclear Information System (INIS)

    Bai, Yanwen; Bian, Xiufang; Qin, Jingyu; Hu, Lina; Yang, Jianfei; Zhang, Kai; Zhao, Xiaolin; Yang, Chuncheng; Zhang, Shuo; Huang, Yuying

    2014-01-01

    Local structure inheritance signatures were observed during the alloying process of the Ag 50 Sn 50 melt, using high-temperature X-ray diffraction and ab initio molecular dynamics simulations. The coordination number N m around Ag atom is similar in the alloy and in pure Ag melts (N m  ∼ 10), while, during the alloying process, the local structure around Sn atoms rearranges. Sn-Sn covalent bonds were substituted by Ag-Sn chemical bonds, and the total coordination number around Sn increases by about 70% as compared with those in the pure Sn melt. Changes in the electronic structure of the alloy have been studied by Ag and Sn K-edge X-ray absorption spectroscopy, as well as by calculations of the partial density of states. We propose that a leading mechanism for local structure inheritance in Ag 50 Sn 50 is due to s-p dehybridization of Sn and to the interplay between Sn-s and Ag-d electrons

  1. 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

  2. Bone augmentation procedures in localized defects in the alveolar ridge: clinical results with different bone grafts and bone-substitute materials

    DEFF Research Database (Denmark)

    Jensen, Simon Storgård; Terheyden, Hendrik

    2009-01-01

    PURPOSE: The objective of this review was to evaluate the efficacy of different grafting protocols for the augmentation of localized alveolar ridge defects. MATERIALS AND METHODS: A MEDLINE search and an additional hand search of selected journals were performed to identify all levels of clinical...... evidence except expert opinions. Any publication written in English and including 10 or more patients with at least 12 months of follow-up after loading of the implants was eligible for this review. The results were categorized according to the presenting defect type: (1) dehiscence and fenestration...... periods. The heterogeneity of the available data did not allow identifying one superior grafting protocol for any of the osseous defect types under investigation. However, a series of grafting materials can be considered well-documented for different indications based on this review. There is a high level...

  3. Measurements of the lattice constant of ceria when doped with lanthana and praseodymia - the possibility of local defect ordering and the observation of extensive phase separation

    International Nuclear Information System (INIS)

    Ryan, K M; McGrath, J P; Farrell, R A; O'Neill, W M; Barnes, C J; Morris, M A

    2003-01-01

    Conventionally, the addition of sesquioxide cation dopants to ceria has been thought of as a class of almost model systems. The most important defect mechanism involves simple anion vacancy charge compensation with those vacancy defects associating themselves with the trivalent cation and being distributed randomly through the lattice. However, this simple model has been significantly challenged in recent years and it seems possible that these associated defects might cluster in ordered arrangements. Whilst evidence has been provided by theoretical work, only limited experimental data are available. This letter reports the first observation of local ordering in these systems as observed by careful powder x-ray diffraction studies. In detail, it is shown that measurements of the lattice parameter do not vary monotonically with dopant concentration. It is also shown that far from being ideal systems with very high dopant solubilities and true solid-state solutions, these systems have complex solubility. (letter to the editor)

  4. 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.

  5. Local Structure and Magnetism of (Ga,Mn)As

    CERN Document Server

    AUTHOR|(CDS)2093111; Temst, Kristiaan

    Throughout the years, dilute magnetic semiconductors (DMS) have emerged as promising materials for semiconductor-based spintronics. In particular, (Ga,Mn)As has become the model system in which to explore the physics of carrier-mediated ferromagnetism in semiconductors and the associated spintronic phenomena, with a number of interesting functionalities and demonstrated proof-of-concept devices. It constitutes the perfect example of how the magnetic behavior of DMS materials is strongly influenced by local structure. In this thesis, we address key aspects of the interplay between local structure and ferromagnetism of (Ga,Mn)As. We unambiguously identify the lattice site occupied by interstitial Mn as the tetrahedral interstitial site with As nearest neighbors T(As). We show, furthermore, that the T(As) is the most energetically favorable site regardless of the interstitial atom forming or not complexes with substitutional Mn. We also evaluate the thermal stability of both interstitial and substitutional Mn si...

  6. The local structure of high-temperature superconductors

    International Nuclear Information System (INIS)

    Mustre de Leon, J.; Conradson, S.D.; Bishop, A.R.; Raistrick, I.D.

    1992-01-01

    We show how x-ray absorption fine structure (XAFS) has been successfully used in the determination of the local crystal structure of high-temperature superconductors, with advantages over traditional diffraction techniques. We review the experimental results that yielded the first evidence for an axial-oxygen-centered lattice instability connected with the superconductivity transition. The interpretation of this instability in terms of a dynamical tunneling model suggests the presence of polarons in these materials. XAFS on Tl 2 Ba 2 CuO 6 and other Tl-based superconductors indicate the presence of local instabilities in the CuO 2 planes of these materials, in addition to axial-oxygen instabilities

  7. Local response of concrete structures to explosive loading

    International Nuclear Information System (INIS)

    Freund, H.U.; Krutzik, N.J.; Muller, K.

    1989-01-01

    This paper reports on the HDR safety program experiments performed concerning demolition of concrete structures and pipes by explosive charges. The precalculability of the local structure reaction as well as that of the global plant was checked. The effect on the bore hole wall by the detonating explosive and the local concrete behavior around the bore hole were investigated. The measured pressure-time history in and around the bore hole is compared with the calculated values. The calculated values seem to be near reality (as far as measurements are available), concerning pressure rise curve within the bore hole and the peak pressure. The analysis of the blow off contours performed with two variations of the material strength of the concrete plates is presented

  8. 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,

  9. 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...

  10. 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

  11. Local Reasoning about Programs that Alter Data Structures

    DEFF Research Database (Denmark)

    O'Hearn, Peter W.; Reynolds, John Clifton; Yang, Hongseok

    2001-01-01

    We describe an extension of Hoare's logic for reasoning about programs that alter data structures. We consider a low-level storage model based on a heap with associated lookup, update, allocation and deallocation operations, and unrestricted address arithmetic. The assertion language is based....... Through these and a number of examples we show that the formalism supports local reasoning: A speci-cation and proof can concentrate on only those cells in memory that a program accesses. This paper builds on earlier work by Burstall, Reynolds, Ishtiaq and O'Hearn on reasoning about data structures....

  12. Investigations on the local structure and the spin-Hamiltonian ...

    Indian Academy of Sciences (India)

    2016-07-13

    Jul 13, 2016 ... (2016) 87: 22 c Indian Academy of Sciences. DOI 10.1007/s12043-016-1234-6. Investigations on the local structure and the spin-Hamiltonian parameters for the tetragonal Cu. 2+ centre in ZnGeF6·6H2O crystal. LI CHAO-YING. ∗. , HUANG YING and ZHENG XUE MEI. School of Physics and Electronic ...

  13. Measuring capital market efficiency: Global and local correlations structure

    Czech Academy of Sciences Publication Activity Database

    Krištoufek, Ladislav; Vošvrda, Miloslav

    2013-01-01

    Roč. 392, č. 1 (2013), s. 184-193 ISSN 0378-4371 R&D Projects: GA ČR(CZ) GBP402/12/G097 Institutional support: RVO:67985556 Keywords : Capital market efficiency * Fractal dimension * Long-range dependence * Short-range dependence Subject RIV: AH - Economics Impact factor: 1.722, year: 2013 http://library.utia.cas.cz/separaty/2012/E/kristoufek-measuring capital market efficiency global and local correlations structure.pdf

  14. Localizing age-related individual differences in a hierarchical structure

    OpenAIRE

    Salthouse, Timothy A.

    2004-01-01

    Data from 33 separate studies were combined to create an aggregate data set consisting of 16 cognitive variables and 6832 different individuals who ranged between 18 and 95 years of age. Analyses were conducted to determine where in a hierarchical structure of cognitive abilities individual differences associated with age, gender, education, and self-reported health could be localized. The results indicated that each type of individual difference characteristic exhibited a d...

  15. ASSIST: a fast versatile local structural comparison tool.

    Science.gov (United States)

    Caprari, Silvia; Toti, Daniele; Viet Hung, Le; Di Stefano, Maurizio; Polticelli, Fabio

    2014-04-01

    Structural genomics initiatives are increasingly leading to the determination of the 3D structure of target proteins whose catalytic function is not known. The aim of this work was that of developing a novel versatile tool for searching structural similarity, which allows to predict the catalytic function, if any, of these proteins. The algorithm implemented by the tool is based on local structural comparison to find the largest subset of similar residues between an input protein and known functional sites. The method uses a geometric hashing approach where information related to residue pairs from the input structures is stored in a hash table and then is quickly retrieved during the comparison step. Tests on proteins belonging to different functional classes, done using the Catalytic Site Atlas entries as targets, indicate that the algorithm is able to identify the correct functional class of the input protein in the vast majority of the cases. The application was developed in Java SE 6, with a Java Swing Graphic User Interface (GUI). The system can be run locally on any operating system (OS) equipped with a suitable Java Virtual Machine, and is available at the following URL: http://www.computationalbiology.it/software/ASSISTv1.zip.

  16. The local structure, magnetic, and transport properties of Cr-doped In2O3 films

    International Nuclear Information System (INIS)

    Wang Shiqi; An Yukai; Feng Deqiang; Liu Jiwen; Wu Zhonghua

    2013-01-01

    Cr-doped In 2 O 3 films were deposited on Si (100) substrates by RF-magnetron sputtering technique. The local structure, magnetic, and transport properties of films are investigated by X-ray diffraction, X-ray photoelectron spectroscopy, X-ray absorption fine structure, Hall effect, R-T, and magnetic measurements. Structural analysis clearly indicates that Cr ions substitute for In 3+ sites of the In 2 O 3 lattice in the valence of +2 states and Cr-related secondary phases or clusters as the source of ferromagnetism is safely ruled out. The films with low Cr concentration show a crossover from semiconducting to metallic transport behavior, whereas only semiconducting behavior is observed in high Cr concentration films. The transport property of all films is governed by Mott variable range hopping behavior, suggesting that the carriers are strongly localized. Magnetic characterizations show that the saturated magnetization of films increases first, and then decreases with Cr doping, while carrier concentration n c decreases monotonically, implying that the ferromagnetism is not directly induced by the mediated carriers. It can be concluded the ferromagnetism of films is intrinsic and originates from electrons bound in defect states associated with oxygen vacancies.

  17. Gap eigenmode of radially localized helicon waves in a periodic structure

    International Nuclear Information System (INIS)

    Chang, L; Hole, M J; Breizman, B N

    2013-01-01

    An ElectroMagnetic Solver (Chen et al 2006 Phys. Plasmas 13 123507) is employed to model a spectral gap and a gap eigenmode in a periodic structure in the whistler frequency range. A radially localized helicon mode (Breizman and Arefiev 2000 Phys. Rev. Lett. 84 3863) is considered. We demonstrate that the computed gap frequency and gap width agree well with a theoretical analysis, and find a discrete eigenmode inside the gap by introducing a defect to the system's periodicity. The axial wavelength of the gap eigenmode is close to twice the system's periodicity, which is consistent with Bragg's law. Such an eigenmode could be excited by energetic electrons, similar to the excitation of toroidal Alfvén eigenmodes by energetic ions in tokamaks. Experimental identification of this mode is conceivable on the large plasma device (Gekelman et al 1991 Rev. Sci. Instrum. 62 2875). (paper)

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

    KAUST Repository

    Ghalib, Asim

    2017-08-14

    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 to the original characteristic modes (CM) currents thus reducing mutual coupling. TCM is also applied to multiple-inputmultiple- output (MIMO) antenna systems to develop a systematic approach that can predict whether the isolation can be enhanced further or not. For this purpose two 4-element and one 2-element MIMO designs, i.e. monopole and planar inverted-F antennas (PIFA) are studied. The addition of different antenna elements affects the CM significantly as well as differently. Some of the CM excited on the antenna surface contribute to the coupling between the antenna ports that is why they can be classified as coupling modes. To improve the isolation, the DGS should be introduced at certain locations that blocks the coupling modes but at the same time does not affect the non-coupling modes. If their is no such location or the current on the surface of the chassis for coupling and non-coupling modes is approximately same, the isolation cannot be enhanced further. Using this approach, isolation was improved on an average by 11 dB in all the designs considered, giving the most isolation enhancement following a systematic way compared to other works.

  19. Defect analysis in GaN films of HEMT structure by cross-sectional cathodoluminescence

    Science.gov (United States)

    Isobe, Yasuhiro; Hung, Hung; Oasa, Kohei; Ono, Tasuku; Onizawa, Takashi; Yoshioka, Akira; Takada, Yoshiharu; Saito, Yasunobu; Sugiyama, Naoharu; Tsuda, Kunio; Sugiyama, Toru; Mizushima, Ichiro

    2017-06-01

    Defect analysis of GaN films in high electron mobility transistor (HEMT) structures by cross-sectional cathodoluminescence (X-CL) is demonstrated as a useful technique for improving the current collapse of GaN-HEMT devices, and the relationship between crystal quality and device characteristics is also investigated. The crystal quality of intrinsic-GaN (i-GaN) and carbon-doped GaN produced clearly different peak intensities of blue luminescence (BL), yellow luminescence (YL), and band-edge emission (BE), which is independently detected by X-CL. Current collapse in GaN-HEMT devices is found to be determined by the BL/BE and YL/BE ratios at the top of the i-GaN layer, which is close to the channel. Moreover, the i-GaN thickness required in order to minimize the BL/BE and YL/BE ratios and the thickness dependency of GaN for minimizing the BL/BE and YL/BE ratios depending on the growth conditions can be evaluated by X-CL. However, there is no correlation between current collapse in GaN-HEMT devices and the YL/BE ratio by conventional photoluminescence because HEMT devices consist of multiple GaN layers and the YL signal is detected from the carbon-doped GaN layer. Thus, the X-CL analysis method is a useful technique for device design in order to suppress current collapse.

  20. Detection of Defect-Induced Magnetism in Low-Dimensional ZnO Structures by Magnetophotocurrent.

    Science.gov (United States)

    Lorite, Israel; Kumar, Yogesh; Esquinazi, Pablo; Zandalazini, Carlos; de Heluani, Silvia Perez

    2015-09-09

    The detection of defect-induced magnetic order in single low-dimensional oxide structures is in general difficult because of the relatively small yield of magnetically ordered regions. In this work, the effect of an external magnetic field on the transient photocurrent measured after light irradiation on different ZnO samples at room temperature is studied. It has been found that a magnetic field produces a change in the relaxation rate of the transient photocurrent only in magnetically ordered ZnO samples. This rate can decrease or increase with field, depending on whether the magnetically ordered region is in the bulk or only at the surface of the ZnO sample. The phenomenon reported here is of importance for the development of magneto-optical low-dimensional oxides devices and provides a new guideline for the detection of magnetic order in low-dimensional magnetic semiconductors. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. 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.

  2. 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)

  3. Local Structure of Cerium in Aluminophosphate and Silicophosphate Glasses

    International Nuclear Information System (INIS)

    Rygel, Jennifer L.; Chen, Yongsheng; Pantano, Carlo G.; Shibata, Tomohiro; Du, Jincheng; Kokou, Leopold; Woodman, Robert; Belcher, James

    2011-01-01

    The local structure of cerium in two systematic compositional series of glasses, nominally CeP 3 O 9 -AlP 3 O 9 and CeP 3 O 9 -SiP 2 O 7 , was interrogated using X-ray photoelectron spectroscopy (XPS) and X-ray absorption fine structure (XAFS) spectroscopy. XPS revealed that, for glasses melted in air, ≥95% of cerium ions are Ce 3+ . This was independently confirmed using X-ray absorption near edge spectroscopy (XANES). Ce K-edge extended X-ray absorption fine structure (EXAFS) has been used to determine the local structure of Ce 3+ . Near the metaphosphate composition, cerium was found to have an average cerium coordination number of ∼7.0 and an average cerium-oxygen bond length of 2.41 (angstrom). The average cerium coordination number and average cerium-oxygen bond distance were found to increase with decreasing cerium concentration in both compositional series. Rare-earth clustering is suggested based on numerical calculations for glasses containing ≥14 and ≥15 mol% Ce 2 O 3 for the aluminophosphate and silicophosphate series, respectively.

  4. 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

  5. Do neural tube defects lead to structural alterations in the human bladder?

    Science.gov (United States)

    Pazos, Helena M F; Lobo, Márcio Luiz de P; Costa, Waldemar S; Sampaio, Francisco J B; Cardoso, Luis Eduardo M; Favorito, Luciano Alves

    2011-05-01

    Anencephaly is the most severe neural tube defect in human fetuses. The objective of this paper is to analyze the structure of the bladder in anencephalic human fetuses. We studied 40 bladders of normal human fetuses (20 male and 20 female, aged 14 to 23 WPC) and 12 bladders of anencephalic fetuses (5 male and 7 female, aged 18 to 22 WPC). The bladders were removed and processed by routine histological techniques. Stereological analysis of collagen, elastic system fibers and smooth muscle was performed in sections. Data were expressed as volumetric density (Vv-%). The images were captured with Olympus BX51 microscopy and Olympus DP70 camera. The stereological analysis was done using the software Image Pro and Image J. For biochemical analysis, samples were fixed in acetone, and collagen concentrations were expressed as micrograms of hydroxyproline per mg of dry tissue. Means were statistically compared using the unpaired t-test (p<0.05). We observed a significant increase (p<0.0001) in the Vv of collagen in the bladders of anencephalic fetuses (69.71%) when compared to normal fetuses (52.74%), and a significant decrease (p<0.0001) in the Vv of smooth muscle cells in the bladders of anencephalic fetuses (23.96%) when compared to normal fetuses (38.35%). The biochemical analyses showed a higher concentration of total collagen in the bladders of anencephalic fetuses (37354 µg/mg) when compared to normal fetuses (48117 µg/mg, p<0.02). The structural alterations of the bladder found in this study may suggest the existence of functional alterations in the bladder of anencephalic human fetuses.

  6. Hypo-analytic structures local theory (PMS-40)

    CERN Document Server

    Treves, François

    2014-01-01

    In Hypo-Analytic Structures Franois Treves provides a systematic approach to the study of the differential structures on manifolds defined by systems of complex vector fields. Serving as his main examples are the elliptic complexes, among which the De Rham and Dolbeault are the best known, and the tangential Cauchy-Riemann operators. Basic geometric entities attached to those structures are isolated, such as maximally real submanifolds and orbits of the system. Treves discusses the existence, uniqueness, and approximation of local solutions to homogeneous and inhomogeneous equations and delimits their supports. The contents of this book consist of many results accumulated in the last decade by the author and his collaborators, but also include classical results, such as the Newlander-Nirenberg theorem. The reader will find an elementary description of the FBI transform, as well as examples of its use. Treves extends the main approximation and uniqueness results to first-order nonlinear equations by means of ...

  7. 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.

  8. 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.

  9. Characterizing the nano-structure and defect structure of nano-scaled non-ferrous structural alloys

    Energy Technology Data Exchange (ETDEWEB)

    Ghamarian, Iman, E-mail: imanghamarian@yahoo.com [Department of Materials Science and Engineering, Iowa State University, Ames, IA 50011 (United States); Department of Materials Science and Engineering, University of North Texas, Denton, TX 76203 (United States); Samimi, Peyman; Liu, Yue [Department of Materials Science and Engineering, Iowa State University, Ames, IA 50011 (United States); Department of Materials Science and Engineering, University of North Texas, Denton, TX 76203 (United States); Center for Advanced Non-Ferrous Structural Alloys, an NSF-I/UCRC between the University of North Texas (Denton, TX, 76203) and the Colorado School of Mines (Golden, CO, 80401) (United States); Poorganji, Behrang; Vasudevan, Vijay K. [Department of Mechanical and Materials Engineering, University of Cincinnati, Cincinnati, OH 45221 (United States); Collins, Peter C. [Department of Materials Science and Engineering, Iowa State University, Ames, IA 50011 (United States); Department of Materials Science and Engineering, University of North Texas, Denton, TX 76203 (United States); Center for Advanced Non-Ferrous Structural Alloys, an NSF-I/UCRC between the University of North Texas (Denton, TX, 76203) and the Colorado School of Mines (Golden, CO, 80401) (United States)

    2016-03-15

    The presence and interaction of nanotwins, geometrically necessary dislocations, and grain boundaries play a key role in the mechanical properties of nanostructured crystalline materials. Therefore, it is vital to determine the orientation, width and distance of nanotwins, the angle and axis of grain boundary misorientations as well as the type and the distributions of dislocations in an automatic and statistically meaningful fashion in a relatively large area. In this paper, such details are provided using a transmission electron microscope-based orientation microscopy technique called ASTAR™/precession electron diffraction. The remarkable spatial resolution of this technique (~ 2 nm) enables highly detailed characterization of nanotwins, grain boundaries and the configuration of dislocations. This orientation microscopy technique provides the raw data required for the determination of these parameters. The procedures to post-process the ASTAR™/PED datasets in order to obtain the important (and currently largely hidden) details of nanotwins as well as quantifications of dislocation density distributions are described in this study. - Highlights: • EBSD cannot characterize defects such as dislocations, grain boundaries and nanotwins in severely deformed metals. • TEM based orientation microscopy technique called ASTAR™/PED was used to resolve the problem. • Locations and orientations of nanotwins, dislocation density distribution and grain boundary characters can be resolved. • This work provides the bases for further studies on the interactions between dislocations, grain boundaries and nanotwins. • The computation part is explained sufficiently which helps the readers to post process their own data.

  10. Direct Visualization of Local Electromagnetic Field Structures by Scanning Transmission Electron Microscopy.

    Science.gov (United States)

    Shibata, Naoya; Findlay, Scott D; Matsumoto, Takao; Kohno, Yuji; Seki, Takehito; Sánchez-Santolino, Gabriel; Ikuhara, Yuichi

    2017-07-18

    The functional properties of materials and devices are critically determined by the electromagnetic field structures formed inside them, especially at nanointerface and surface regions, because such structures are strongly associated with the dynamics of electrons, holes and ions. To understand the fundamental origin of many exotic properties in modern materials and devices, it is essential to directly characterize local electromagnetic field structures at such defect regions, even down to atomic dimensions. In recent years, rapid progress in the development of high-speed area detectors for aberration-corrected scanning transmission electron microscopy (STEM) with sub-angstrom spatial resolution has opened new possibilities to directly image such electromagnetic field structures at very high-resolution. In this Account, we give an overview of our recent development of differential phase contrast (DPC) microscopy for aberration-corrected STEM and its application to many materials problems. In recent years, we have developed segmented-type STEM detectors which divide the detector plane into 16 segments and enable simultaneous imaging of 16 STEM images which are sensitive to the positions and angles of transmitted/scattered electrons on the detector plane. These detectors also have atomic-resolution imaging capability. Using these segmented-type STEM detectors, we show DPC STEM imaging to be a very powerful tool for directly imaging local electromagnetic field structures in materials and devices in real space. For example, DPC STEM can clearly visualize the local electric field variation due to the abrupt potential change across a p-n junction in a GaAs semiconductor, which cannot be observed by normal in-focus bright-field or annular type dark-field STEM imaging modes. DPC STEM is also very effective for imaging magnetic field structures in magnetic materials, such as magnetic domains and skyrmions. Moreover, real-time imaging of electromagnetic field structures can

  11. Global and local targeted immunization in networks with community structure

    International Nuclear Information System (INIS)

    Yan, Shu; Tang, Shaoting; Pei, Sen; Zheng, Zhiming; Fang, Wenyi

    2015-01-01

    Immunization plays an important role in the field of epidemic spreading in complex networks. In previous studies, targeted immunization has been proved to be an effective strategy. However, when extended to networks with community structure, it is unknown whether the superior strategy is to vaccinate the nodes who have the most connections in the entire network (global strategy), or those in the original community where epidemic starts to spread (local strategy). In this work, by using both analytic approaches and simulations, we observe that the answer depends on the closeness between communities. If communities are tied closely, the global strategy is superior to the local strategy. Otherwise, the local targeted immunization is advantageous. The existence of a transitional value of closeness implies that we should adopt different strategies. Furthermore, we extend our investigation from two-community networks to multi-community networks. We consider the mode of community connection and the location of community where epidemic starts to spread. Both simulation results and theoretical predictions show that local strategy is a better option for immunization in most cases. But if the epidemic begins from a core community, global strategy is superior in some cases. (paper)

  12. 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}.

  13. 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

  14. The effects of local blowing perturbations on thermal turbulent structures

    Science.gov (United States)

    Liu, Can; Araya, Guillermo; Leonardi, Stefano; Castillo, Luciano

    2013-11-01

    Blowing is an active flow control technique with several industrial applications, particularly in film cooling of turbine blades. In the past, the effects of localized blowing have been mostly analyzed on the velocity field and its influence of the flow parameters and turbulence structures (Krogstad and Kourakine, 2000). However, little literature can be found on the effects of blowing on the coherent thermal structures. In the present study, an incompressible turbulent channel flow with given steady blowing at the wall is simulated via DNS by means of five spanwise holes. The Reynolds number based on the friction velocity and half channel height is approximately Re = 394 and the molecular Prandtl number is Pr = 0.71. Temperature is considered a passive scalar with isothermal conditions at the wall. Different blowing amplitudes and perturbing angles (with respect to the streamwise direction) are applied to find out their effects on the turbulent thermal structures by means of a two-point correlation analysis. In addition, local reduction and increase of drag are connected to vorticity. The corresponding influence of perturbing amplitudes and angles on the energy budget of thermal fluctuations and turbulent Prandtl numbers are also shown and discussed.

  15. 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

  16. Detection of structural defects in lecithin membranes by the small-angle neutron scattering method

    International Nuclear Information System (INIS)

    Bezzabotnov, V.Yu.; Gordelij, V.I.; Ostanevich, Yu.M.; Yaguzhinskij, L.S.

    1989-01-01

    Irregularities interpreted as interdomain defects have been detected in model lipid membranes of dipalmitoil lecithin in liquid L α -phase by the method of small-angle scattering (lateral diffraction). The dimensions and concentrations of the defects were about those supposed within the dynamic cluster model of bilayer (Ivkov, 1984). No irregularities were detected in the solid Lβ ' -phase (the diffusion scattering intensity was at least ten times less)

  17. Characterizing structural transitions using localized free energy landscape analysis.

    Directory of Open Access Journals (Sweden)

    Nilesh K Banavali

    Full Text Available Structural changes in molecules are frequently observed during biological processes like replication, transcription and translation. These structural changes can usually be traced to specific distortions in the backbones of the macromolecules involved. Quantitative energetic characterization of such distortions can greatly advance the atomic-level understanding of the dynamic character of these biological processes.Molecular dynamics simulations combined with a variation of the Weighted Histogram Analysis Method for potential of mean force determination are applied to characterize localized structural changes for the test case of cytosine (underlined base flipping in a GTCAGCGCATGG DNA duplex. Free energy landscapes for backbone torsion and sugar pucker degrees of freedom in the DNA are used to understand their behavior in response to the base flipping perturbation. By simplifying the base flipping structural change into a two-state model, a free energy difference of upto 14 kcal/mol can be attributed to the flipped state relative to the stacked Watson-Crick base paired state. This two-state classification allows precise evaluation of the effect of base flipping on local backbone degrees of freedom.The calculated free energy landscapes of individual backbone and sugar degrees of freedom expectedly show the greatest change in the vicinity of the flipping base itself, but specific delocalized effects can be discerned upto four nucleotide positions away in both 5' and 3' directions. Free energy landscape analysis thus provides a quantitative method to pinpoint the determinants of structural change on the atomic scale and also delineate the extent of propagation of the perturbation along the molecule. In addition to nucleic acids, this methodology is anticipated to be useful for studying conformational changes in all macromolecules, including carbohydrates, lipids, and proteins.

  18. Local pulmonary structure classification for computer-aided nodule detection

    Science.gov (United States)

    Bahlmann, Claus; Li, Xianlin; Okada, Kazunori

    2006-03-01

    We propose a new method of classifying the local structure types, such as nodules, vessels, and junctions, in thoracic CT scans. This classification is important in the context of computer aided detection (CAD) of lung nodules. The proposed method can be used as a post-process component of any lung CAD system. In such a scenario, the classification results provide an effective means of removing false positives caused by vessels and junctions thus improving overall performance. As main advantage, the proposed solution transforms the complex problem of classifying various 3D topological structures into much simpler 2D data clustering problem, to which more generic and flexible solutions are available in literature, and which is better suited for visualization. Given a nodule candidate, first, our solution robustly fits an anisotropic Gaussian to the data. The resulting Gaussian center and spread parameters are used to affine-normalize the data domain so as to warp the fitted anisotropic ellipsoid into a fixed-size isotropic sphere. We propose an automatic method to extract a 3D spherical manifold, containing the appropriate bounding surface of the target structure. Scale selection is performed by a data driven entropy minimization approach. The manifold is analyzed for high intensity clusters, corresponding to protruding structures. Techniques involve EMclustering with automatic mode number estimation, directional statistics, and hierarchical clustering with a modified Bhattacharyya distance. The estimated number of high intensity clusters explicitly determines the type of pulmonary structures: nodule (0), attached nodule (1), vessel (2), junction (>3). We show accurate classification results for selected examples in thoracic CT scans. This local procedure is more flexible and efficient than current state of the art and will help to improve the accuracy of general lung CAD systems.

  19. 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

  20. Local structure and structural signature underlying properties in metallic glasses and supercooled liquids

    Science.gov (United States)

    Ding, Jun

    Metallic glasses (MGs), discovered five decades ago as a newcomer in the family of glasses, are of current interest because of their unique structures and properties. There are also many fundamental materials science issues that remain unresolved for metallic glasses, as well as their predecessor above glass transition temperature, the supercooled liquids. In particular, it is a major challenge to characterize the local structure and unveil the structure-property relationship for these amorphous materials. This thesis presents a systematic study of the local structure of metallic glasses as well as supercooled liquids via classical and ab initio molecular dynamics simulations. Three typical MG models are chosen as representative candidate, Cu64 Zr36, Pd82Si18 and Mg65Cu 25Y10 systems, while the former is dominant with full icosahedra short-range order and the prism-type short-range order dominate for latter two. Furthermore, we move to unravel the underlying structural signature among several properties in metallic glasses. Firstly, the temperature dependence of specific heat and liquid fragility between Cu-Zr and Mg-Cu-Y (also Pd-Si) in supercooled liquids are quite distinct: gradual versus fast evolution of specific heat and viscosity/relaxation time with undercooling. Their local structural ordering are found to relate with the temperature dependence of specific heat and relaxation time. Then elastic heterogeneity has been studied to correlate with local structure in Cu-Zr MGs. Specifically, this part covers how the degree of elastic deformation correlates with the internal structure at the atomic level, how to quantitatively evaluate the local solidity/liquidity in MGs and how the network of interpenetrating connection of icosahedra determine the corresponding shear modulus. Finally, we have illustrated the structure signature of quasi-localized low-frequency vibrational normal modes, which resides the intriguing vibrational properties in MGs. Specifically, the

  1. 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.

  2. The local structure of a Liouville vector field

    International Nuclear Information System (INIS)

    Ciriza, E.

    1990-05-01

    In this work we investigate the local structure of a Liouville vector field ξ of a Kaehler manifold (P,Ω) which vanishes on an isotropic submanifold Q of P. Some of the eigenvalues of its linear part at the singular points are zero and the remaining ones are in resonance. We show that there is a C 1 -smooth linearizing conjugation between the Liouville vector field ξ and its linear part. To do this we construct Darboux coordinates adapted to the unstable foliation which is provided by the Centre Manifold Theorem. We then apply recent linearization results due to G. Sell. (author). 11 refs

  3. Localization-based super-resolution imaging of cellular structures.

    Science.gov (United States)

    Kanchanawong, Pakorn; Waterman, Clare M

    2013-01-01

    Fluorescence microscopy allows direct visualization of fluorescently tagged proteins within cells. However, the spatial resolution of conventional fluorescence microscopes is limited by diffraction to ~250 nm, prompting the development of super-resolution microscopy which offers resolution approaching the scale of single proteins, i.e., ~20 nm. Here, we describe protocols for single molecule localization-based super-resolution imaging, using focal adhesion proteins as an example and employing either photoswitchable fluorophores or photoactivatable fluorescent proteins. These protocols should also be easily adaptable to imaging a broad array of macromolecular assemblies in cells whose components can be fluorescently tagged and assemble into high density structures.

  4. Correlation between intrinsic hardness and defect structures of ion irradiated Fe alloys

    International Nuclear Information System (INIS)

    Shin, C.; Jin, H. H.; Kwon, J.

    2008-01-01

    Evolution of micro structures and mechanical properties during an in-service irradiation is one of the key issues to be addressed in nuclear materials. Ion irradiation is an effective method to study these irradiation effects thanks to an ease in handling post-irradiated specimens. But the characteristics of an ion irradiation pose a certain difficulty in evaluating irradiation effects. For example, ion irradiated region extends only a few hundred nano-meters from the surface of a sample and the depth profile of an irradiation damage level is quite heterogeneous. Thus it requires special care to quantify the changes in properties after an ion irradiation. We measured changes in a hardness by using a nano-indentation combined with a continuous stiffness measurement (CSM technique. Although the SM technique allows for a continuous measurement of hardness along penetration depth of an indenter; it is difficult to obtain an intrinsic hardness of an irradiation hardened region because one is measuring hardness of a hard layer located on a soft matrix. Thus we modeled the nano-indentation test by using a finite element method. We can extract the intrinsic hardness and the yield stress of an irradiation hardened region by using a so-called inverse method. We investigated the irradiation effects on Fe-Cr binary alloy by using the methods mentioned above. TEM analysis revealed that an irradiation forms dislocation loops with Burgers vector of and 1/2 . These loops varied in size and density with the Cr content and dose level. We discuss in detail a correlation between the measured irradiation-induced changes in the surface hardness and an irradiation induced defect. (authors)

  5. Structural defects and variations in the HIV-1 nef gene from rapid, slow and non-progressor children.

    Science.gov (United States)

    Casartelli, Nicoletta; Di Matteo, Gigliola; Argentini, Claudio; Cancrini, Caterina; Bernardi, Stefania; Castelli, Guido; Scarlatti, Gabriella; Plebani, Anna; Rossi, Paolo; Doria, Margherita

    2003-06-13

    Evaluation of sequence evolution as well as structural defects and mutations of the human immunodeficiency virus-type 1 (HIV-1) nef gene in relation to disease progression in infected children. We examined a large number of nef alleles sequentially derived from perinatally HIV-1-infected children with different rates of disease progression: six non-progressors (NPs), four rapid progressors (RPs), and three slow progressors (SPs). Nef alleles (182 total) were isolated from patients' peripheral blood mononuclear cells (PBMCs), sequenced and analysed for their evolutionary pattern, frequency of mutations and occurrence of amino acid variations associated with different stages of disease. The evolution rate of the nef gene apparently correlated with CD4+ decline in all progression groups. Evidence for rapid viral turnover and positive selection for changes were found only in two SPs and two RPs respectively. In NPs, a higher proportion of disrupted sequences and mutations at various functional motifs were observed. Furthermore, NP-derived Nef proteins were often changed at residues localized in the folded core domain at cytotoxic T lymphocytes (CTL) epitopes (E(105), K(106), E(110), Y(132), K(164), and R(200)), while other residues outside the core domain are more often changed in RPs (A(43)) and SPs (N(173) and Y(214)). Our results suggest a link between nef gene functions and the progression rate in HIV-1-infected children. Moreover, non-progressor-associated variations in the core domain of Nef, together with the genetic analysis, suggest that nef gene evolution is shaped by an effective immune system in these patients.

  6. 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.

  7. Vacuum arc localization in CLIC prototype radio frequency accelerating structures

    CERN Document Server

    AUTHOR|(CDS)2091976; Koivunen, Visa

    2016-04-04

    A future linear collider capable of reaching TeV collision energies should support accelerating gradients beyond 100 MV/m. At such high fields, the occurrence of vacuum arcs have to be mitigated through conditioning, during which an accelerating structure’s resilience against breakdowns is slowly increased through repeated radio frequency pulsing. Conditioning is very time and resource consuming, which is why developing more efficient procedures is desirable. At CERN, conditioning related research is conducted at the CLIC high-power X-band test stands. Breakdown localization is an important diagnostic tool of accelerating structure tests. Abnormal position distributions highlight issues in structure design, manufacturing or operation and may consequently help improve these processes. Additionally, positioning can provide insight into the physics of vacuum arcs. In this work, two established positioning methods based on the time-difference-ofarrival of radio frequency waves are extended. The first method i...

  8. Model for the local spiral structure of the galaxy

    International Nuclear Information System (INIS)

    Humphreys, R.M.

    1976-01-01

    The spatial distribution of the most luminous stars, associations, clusters, and H II regions in the region l = 270 0 to 30 0 reveal a major spiral arm, Sagittarius-Carina, which can be observed to 9 or 10 kpc from the sun in the direction l = 290 0 to 305 0 . Evidence is also presented for a spur at l = 305 0 to 310 0 on the inner side of the Saggitarius-Carina arm. The noncircular motions observed in the Carina and Sagittarius spiral features agree in both magnitude and direction and support the suggestion that Sagittarius-Carina is a major spiral arm. A model is presented for the local spiral structure with wide, massive, spiral arms which show fragmentation in our region of the Galaxy. On the basis of the optical spiral structure, the Milky Way is an Sc type spiral galaxy, perhaps of the M 101 type

  9. 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.

  10. Modeling amorphization of tetrahedral structures under local approaches

    International Nuclear Information System (INIS)

    Jesurum, C.E.; Pulim, V.; Berger, B.; Hobbs, L.W.

    1997-01-01

    Many crystalline ceramics can be topologically disordered (amorphized) by disordering radiation events involving high-energy collision cascades or (in some cases) successive single-atom displacements. The authors are interested in both the potential for disorder and the possible aperiodic structures adopted following the disordering event. The potential for disordering is related to connectivity, and among those structures of interest are tetrahedral networks (such as SiO 2 , SiC and Si 3 N 4 ) comprising corner-shared tetrahedral units whose connectivities are easily evaluated. In order to study the response of these networks to radiation, the authors have chosen to model their assembly according to the (simple) local rules that each corner obeys in connecting to another tetrahedron; in this way they easily erect large computer models of any crystalline polymorphic form. Amorphous structures can be similarly grown by application of altered rules. They have adopted a simple model of irradiation in which all bonds in the neighborhood of a designated tetrahedron are destroyed, and they reform the bonds in this region according to a set of (possibly different) local rules appropriate to the environmental conditions. When a tetrahedron approaches the boundary of this neighborhood, it undergoes an optimization step in which a spring is inserted between two corners of compatible tetrahedra when they are within a certain distance of one another; component forces are then applied that act to minimize the distance between these corners and minimize the deviation from the rules. The resulting structure is then analyzed for the complete adjacency matrix, irreducible ring statistics, and bond angle distributions

  11. Defect of the Eyelids.

    Science.gov (United States)

    Lu, Guanning Nina; Pelton, Ron W; Humphrey, Clinton D; Kriet, John David

    2017-08-01

    Eyelid defects disrupt the complex natural form and function of the eyelids and present a surgical challenge. Detailed knowledge of eyelid anatomy is essential in evaluating a defect and composing a reconstructive plan. Numerous reconstructive techniques have been described, including primary closure, grafting, and a variety of local flaps. This article describes an updated reconstructive ladder for eyelid defects that can be used in various permutations to solve most eyelid defects. Copyright © 2017 Elsevier Inc. All rights reserved.

  12. Configuration of ripple domains and their topological defects formed under local mechanical stress on hexagonal monolayer graphene.

    Science.gov (United States)

    Park, Yeonggu; Choi, Jin Sik; Choi, Taekjib; Lee, Mi Jung; Jia, Quanxi; Park, Minwoo; Lee, Hoonkyung; Park, Bae Ho

    2015-03-24

    Ripples in graphene are extensively investigated because they ensure the mechanical stability of two-dimensional graphene and affect its electronic properties. They arise from spontaneous symmetry breaking and are usually manifested in the form of domains with long-range order. It is expected that topological defects accompany a material exhibiting long-range order, whose functionality depends on characteristics of domains and topological defects. However, there remains a lack of understanding regarding ripple domains and their topological defects formed on monolayer graphene. Here we explore configuration of ripple domains and their topological defects in exfoliated monolayer graphenes on SiO2/Si substrates using transverse shear microscope. We observe three-color domains with three different ripple directions, which meet at a core. Furthermore, the closed domain is surrounded by an even number of cores connected together by domain boundaries, similar to topological vortex and anti-vortex pairs. In addition, we have found that axisymmetric three-color domains can be induced around nanoparticles underneath the graphene. This fascinating configuration of ripple domains may result from the intrinsic hexagonal symmetry of two-dimensional graphene, which is supported by theoretical simulation using molecular dynamics. Our findings are expected to play a key role in understanding of ripple physics in graphene and other two-dimensional materials.

  13. 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.

  14. 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.

  15. Nano structures of amorphous silicon: localization and energy gap

    Directory of Open Access Journals (Sweden)

    Z Nourbakhsh

    2013-10-01

    Full Text Available Renewable energy research has created a push for new materials; one of the most attractive material in this field is quantum confined hybrid silicon nano-structures (nc-Si:H embedded in hydrogenated amorphous silicon (a-Si:H. The essential step for this investigation is studying a-Si and its ability to produce quantum confinement (QC in nc-Si: H. Increasing the gap of a-Si system causes solar cell efficiency to increase. By computational calculations based on Density Functional Theory (DFT, we calculated a special localization factor, [G Allan et al., Phys. Rev. B 57 (1997 6933.], for the states close to HOMO and LUMO in a-Si, and found most weak-bond Si atoms. By removing these silicon atoms and passivating the system with hydrogen, we were able to increase the gap in the a-Si system. As more than 8% hydrogenate was not experimentally available, we removed about 2% of the most localized Si atoms in the almost tetrahedral a-Si system. After removing localized Si atoms in the system with 1000 Si atoms, and adding 8% H, the gap increased about 0.24 eV. Variation of the gap as a function of hydrogen percentage was in good agreement with the Tight –Binding results, but about 2 times more than its experimental value. This might come from the fact that in the experimental conditions, it does not have the chance to remove the most localized states. However, by improving the experimental conditions and technology, this value can be improved.

  16. Local structural ordering in surface-confined liquid crystals

    Science.gov (United States)

    Śliwa, I.; Jeżewski, W.; Zakharov, A. V.

    2017-06-01

    The effect of the interplay between attractive nonlocal surface interactions and attractive pair long-range intermolecular couplings on molecular structures of liquid crystals confined in thin cells with flat solid surfaces has been studied. Extending the McMillan mean field theory to include finite systems, it has been shown that confining surfaces can induce complex orientational and translational ordering of molecules. Typically, local smectic A, nematic, and isotropic phases have been shown to coexist in certain temperature ranges, provided that confining cells are sufficiently thick, albeit finite. Due to the nonlocality of surface interactions, the spatial arrangement of these local phases can display, in general, an unexpected complexity along the surface normal direction. In particular, molecules located in the vicinity of surfaces can still be organized in smectic layers, even though nematic and/or isotropic order can simultaneously appear in the interior of cells. The resulting surface freezing of smectic layers has been confirmed to occur even for rather weak surface interactions. The surface interactions cannot, however, prevent smectic layers from melting relatively close to system boundaries, even when molecules are still arranged in layers within the central region of the system. The internal interfaces, separating individual liquid-crystal phases, are demonstrated here to form fronts of local finite-size transitions that move across cells under temperature changes. Although the complex molecular ordering in surface confined liquid-crystal systems can essentially be controlled by temperature variations, specific thermal properties of these systems, especially the nature of the local transitions, are argued to be strongly conditioned to the degree of molecular packing.

  17. 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.

  18. 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.

  19. Comparison of the Koster-Slater and the equation-of-motion method for calculation of the electronic structure of defects in compound semiconductors

    International Nuclear Information System (INIS)

    Tit, N.; Halley, J.W.

    1992-01-01

    Traditional methods of calculating the electronic structure of defects in semiconductors rely on matrix-diagonalization methods which use the unperturbed crystalline wave functions as a basis. Equation-of-motion (EOM) methods, on the other hand, give excellent results with strong disorder and many defects and make no use of the basis of unperturbed wave functions, but require self-averaging properties of the wave functions which appear superficially to make them unsuitable for study of local properties. We show here that EOM methods are better than traditional methods for calculating the electronic structure of essentially any finite-range impurity potential. The reason is basically that the numerical cost of the traditional Green's-function methods grows approximately as R 7 o/Iper sitet/P, where R is the range of the potential, whereas the cost of the EOM methods per site is independent of the range of the potential. Our detailed calculations on a model of an oxygen vacancy in rutile TiO 2 show that a crossover occurs very soon, so that equation-of-motion methods are better than the traditional ones in the case of potentials of realistic range

  20. Research on Debonding Defects in Thermal Barrier Coatings Structure by Thermal-Wave Radar Imaging (TWRI)

    Science.gov (United States)

    Wang, Fei; Liu, Junyan; Mohummad, Oliullah; Wang, Yang

    2018-06-01

    In this paper, thermal-wave radar imaging (TWRI) is introduced to detect debonding defects in SiC-coated Ni-based superalloy plates. Linear frequency modulation signal (chirp) is used as the excitation signal which has a large time-bandwidth product. Artificial debonding defects in SiC coating are excited by the laser beam with the light intensity modulated by a chirp signal. Cross-correlation algorithm and chirp lock-in algorithm are introduced to extract the thermal-wave signal characteristic. The comparative experiment between TWRI reflection mode and transmission mode was carried out. Experiments are conducted to investigate the influence of laser power density, chirp period, and excitation frequency. Experimental results illustrate that chirp lock-in phase has a better detection capability than other characteristic parameters. TWRI can effectively detect simulated debonding defects of SiC-coated Ni-based superalloy plates.

  1. 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

  2. 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.

  3. Local structure investigation of Ga and Yb dopants in Co4Sb12 skutterudites

    Science.gov (United States)

    Hu, Yanyun; Chen, Ning; Clancy, J. P.; Salvador, James R.; Kim, Chang-Yong; Shi, Xiaoya; Li, Qiang; Kim, Young-June

    2017-12-01

    We report comprehensive x-ray absorption spectroscopy studies at both the Ga K edge and Yb L2 edge to elucidate the local structure of Ga and Yb dopants in YbxGayCo4Sb12 . Our extended x-ray absorption fine structure (EXAFS) data confirm that Ga atoms occupy two crystallographic sites: one is the 24 g site replacing Sb, and the other is the 2 a site in the off-center void position. We find that the occupancy ratio of these two sites varies significantly as a function of the filling fraction of additional Yb, which exclusively occupies the 2 a on-center site. At low concentrations of Yb, Ga24 g and Ga2 a dopants coexist and they form a charge-compensated compound defect proposed by Qiu et al. [Adv. Funct. Mater. 23, 3194 (2013), 10.1002/adfm.201202571]. The Ga24 g occupancy increases gradually with increasing Yb concentration, and almost all Ga occupies the 24 g site for the highest Yb concentration studied (x =0.4 ). In addition to the local structural evidence provided by our EXAFS data, we also present x-ray absorption near-edge structure (XANES) spectra, which show a small Ga K -edge energy shift as a function of Yb concentration consistent with the change from predominantly Ga2 a to Ga24 g states. Our result suggests that the increased solubility of Yb in Yb-Ga co-doped Co4Sb12 skutterudites is due to the increased Ga24 g electron acceptor, and thus provides an important strategy to optimize the carrier concentration in partially filled skutterudites.

  4. 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

  5. Study by electronic structure calculations of the radiation damage in the UO2 nuclear fuel: behaviour of the point defects and fission gases

    International Nuclear Information System (INIS)

    Vathonne, Emerson

    2014-01-01

    Uranium dioxide (UO 2 ) is worldwide the most widely used fuel in nuclear plants in the world and in particular in pressurized water reactors (PWR). In-pile the fission of uranium nuclei creates fission products and point defects in the fuel. The understanding of the evolution of these radiation damages requires a multi-scale modelling approach of the nuclear fuel, from the scale of the pellet to the atomic scale. We used an electronic structure calculation method based on the density functional theory (DFT) to model radiation damage in UO 2 at the atomic scale. A Hubbard-type Coulomb interaction term is added to the standard DFT formalism to take into account the strong correlations of the 5f electrons in UO 2 . This method is used to study point defects with various charge states and the incorporation and diffusion of krypton in uranium dioxide. This study allowed us to obtain essential data for higher scale models but also to interpret experimental results. In parallel of this study, three ways to improve the state of the art of electronic structure calculations of UO 2 have been explored: the consideration of the spin-orbit coupling neglected in current point defect calculations, the application of functionals allowing one to take into account the non-local interactions such as van der Waals interactions important for rare gases and the use of the Dynamical Mean Field Theory combined to the DFT method in order to take into account the dynamical effects in the 5f electron correlations. (author) [fr

  6. Efficient reanalysis of structures by a direct modification method. [local stiffness modifications of large structures

    Science.gov (United States)

    Raibstein, A. I.; Kalev, I.; Pipano, A.

    1976-01-01

    A procedure for the local stiffness modifications of large structures is described. It enables structural modifications without an a priori definition of the changes in the original structure and without loss of efficiency due to multiple loading conditions. The solution procedure, implemented in NASTRAN, involved the decomposed stiffness matrix and the displacement vectors of the original structure. It solves the modified structure exactly, irrespective of the magnitude of the stiffness changes. In order to investigate the efficiency of the present procedure and to test its applicability within a design environment, several real and large structures were solved. The results of the efficiency studies indicate that the break-even point of the procedure varies between 8% and 60% stiffness modifications, depending upon the structure's characteristics and the options employed.

  7. Electronic structure and optical properties of defect chalcopyrite HgGa2Se4

    Science.gov (United States)

    Gabrelian, B. V.; Lavrentyev, A. A.; Vu, Tuan V.; Parasyuk, O. V.; Khyzhun, O. Y.

    2018-01-01

    We report on studies from an experimental and theoretical viewpoint of the electronic structure of mercury digallium selenide, HgGa2Se4, a very promising optoelectronic material. In particular, the method of X-ray photoelectron spectroscopy (XPS) was used to evaluate binding energies of the constituent element core electrons and the shape of the valence band for pristine and Ar+-ion bombarded surfaces of HgGa2Se4 single crystal. First principles band-structure calculations were performed in the present work using the augmented plane wave + local orbitals (APW+lo). These calculations indicate that the Se 4p states are the main contributors at the top and in the upper portion of the valence band with slightly smaller contributions of the Ga 4p states in the upper portion of the band as well. Further, the central portion of the valence band is determined mainly by contributions of the Ga 4s states, and the Hg 5d states are the principal contributors to the bottom of the valence band. These theoretical data are in fair agreement when matching on a common energy scale of the X-ray emission bands giving information on the energy distribution of the Se 4p and Ga 4p states and the XPS valence-band spectrum of the HgGa2Se4 crystal. The principal optical constants are elucidated from the DFT calculations.

  8. Electrical activation and local structure of Se atoms in ion-implanted indium phosphide

    International Nuclear Information System (INIS)

    Yu, K.M.; Chan, N.; Hsu, L.

    1996-01-01

    The solid phase regrowth, dopant activation, and local environments of Se-implanted InP are investigated with ion-beam techniques and extended x-ray-absorption fine structure spectroscopy. We find that the local Se endash In structure is already established in the as-implanted amorphous InP although the Se atoms have a lower average coordination number (∼3.5) and no long-range order. After high-temperature rapid thermal annealing (950 degree C, 5 s), the amorphous InP regrows, becoming a single crystal with the Se atoms bonded to four In neighbors; however, only ∼50% of the Se becomes electrically active. Part of the Se precipitates in the form of an In endash Se phase, another part is compensated by defects which are not totally removed by annealing. The Se emdash In bond distance for a Se on a P site is 4.5% longer than the matrix In emdash P bond length, introducing large strains in the crystal. The solid solubility of Se in InP is estimated from our results to be ≅8.7x10 19 /cm 3 while the electron concentration saturates at 5.4x10 19 /cm 3 . Se atoms in InP regrown at lower temperatures in a furnace are only ∼7% electrically active and are found to have different local environments (higher coordination number and shorter bond distance) than those in the InP perfectly regrown at higher temperature. copyright 1996 American Institute of Physics

  9. Observations of defect structure evolution in proton and Ni ion irradiated Ni-Cr binary alloys

    Energy Technology Data Exchange (ETDEWEB)

    Briggs, Samuel A., E-mail: sabriggs2@wisc.edu [University of Wisconsin-Madison, 1415 Engineering Drive, Madison, WI 53706 (United States); Barr, Christopher M. [Drexel University, 3141 Chestnut Street, Philadelphia, PA 19104 (United States); Pakarinen, Janne [University of Wisconsin-Madison, 1415 Engineering Drive, Madison, WI 53706 (United States); SKC-CEN Belgian Nuclear Research Centre, Boeretang 200, B-2400 Mol (Belgium); Mamivand, Mahmood [University of Wisconsin-Madison, 1415 Engineering Drive, Madison, WI 53706 (United States); Hattar, Khalid [Sandia National Laboratories, PO Box 5800, Albuquerque, NM 87185 (United States); Morgan, Dane D. [University of Wisconsin-Madison, 1415 Engineering Drive, Madison, WI 53706 (United States); Taheri, Mitra [Drexel University, 3141 Chestnut Street, Philadelphia, PA 19104 (United States); Sridharan, Kumar [University of Wisconsin-Madison, 1415 Engineering Drive, Madison, WI 53706 (United States)

    2016-10-15

    Two binary Ni-Cr model alloys with 5 wt% Cr and 18 wt% Cr were irradiated using 2 MeV protons at 400 and 500 °C and 20 MeV Ni{sup 4+} ions at 500 °C to investigate microstructural evolution as a function of composition, irradiation temperature, and irradiating ion species. Transmission electron microscopy (TEM) was applied to study irradiation-induced void and faulted Frank loops microstructures. Irradiations at 500 °C were shown to generate decreased densities of larger defects, likely due to increased barriers to defect nucleation as compared to 400 °C irradiations. Heavy ion irradiation resulted in a larger density of smaller voids when compared to proton irradiations, indicating in-cascade clustering of point defects. Cluster dynamics simulations were in good agreement with the experimental findings, suggesting that increases in Cr content lead to an increase in interstitial binding energy, leading to higher densities of smaller dislocation loops in the Ni-18Cr alloy as compared to the Ni-5Cr alloy. - Highlights: • Binary Ni-Cr alloys were irradiated with protons or Ni ions at 400 and 500 °C. • Higher irradiation temperatures yield increased size, decreased density of defects. • Hypothesize that varying Cr content affects interstitial binding energy. • Fitting CD models for loop nucleation to data supports this hypothesis.

  10. The Effect of Face Sheet Wrinkle Defects on the Strength of FRP Sandwich Structures

    DEFF Research Database (Denmark)

    Hayman, Brian; Berggreen, Christian; Pettersson, Robert

    2007-01-01

    . In the studies reported here, the influence of wrinkle defects on the in-plane compressive strength of quasi-isotropic carbon fiber reinforced plastic (CFRP) laminates used in PVC foam-cored sandwich panels has been investigated by three approaches: testing of sandwich beam specimens in four-point bending...

  11. Structure, Raman spectra and defect chemistry modelling of conductive pyrochlore oxides

    DEFF Research Database (Denmark)

    Poulsen, F.W.; Glerup, M.; Holtappels, P.

    2000-01-01

    -O(x) and V-O on the O site, interstitial oxygens O-i", and delocalised electrons and electron holes. Four mass action law expressions govern such a model. The defect model can rationalise why home-valent doping, i.e. substitution of Zr(4+) by Ce(4+), can lead to an increase in ionic conductivity...

  12. Effect of Fe Doping by Thermal in-Diffusion on the Defect Structure of Lithium Niobate

    Energy Technology Data Exchange (ETDEWEB)

    Mignoni, S; Zaltron, A; Ciampolillo, M V; Bazzan, M; Argiolas, N; Sada, C; Fontana, M D, E-mail: zaltronam@padova.infm.it

    2010-11-15

    In this work we investigate the iron incorporation in thermally diffused Fe doped LN, by combining two experimental techniques, i.e. micro-Raman spectroscopy and proton induced X rays emission. Our results point out that in substituting for Li, Fe ions induces a decrease of Nb{sub Li} antisite defects and rearrangement of the Nb sublattice.

  13. CoCrMo cellular structures made by Electron Beam Melting studied by local tomography and finite element modelling

    Energy Technology Data Exchange (ETDEWEB)

    Petit, Clémence [INSA de Lyon, MATEIS CNRS UMR5510, Université de Lyon, 69621 Villeurbanne (France); Maire, Eric, E-mail: eric.maire@insa-lyon.fr [INSA de Lyon, MATEIS CNRS UMR5510, Université de Lyon, 69621 Villeurbanne (France); Meille, Sylvain; Adrien, Jérôme [INSA de Lyon, MATEIS CNRS UMR5510, Université de Lyon, 69621 Villeurbanne (France); Kurosu, Shingo; Chiba, Akihiko [Institute for Materials Research, Tohoku University, Sendai 980-0812 (Japan)

    2016-06-15

    The work focuses on the structural and mechanical characterization of Co-Cr-Mo cellular samples with cubic pore structure made by Electron Beam Melting (EBM). X-ray tomography was used to characterize the architecture of the sample. High resolution images were also obtained thanks to local tomography in which the specimen is placed close to the X-ray source. These images enabled to observe some defects due to the fabrication process: small pores in the solid phase, partially melted particles attached to the surface. Then, in situ compression tests were performed in the tomograph. The images of the deformed sample show a progressive buckling of the vertical struts leading to final fracture. The deformation initiated where the defects were present in the strut i.e. in regions with reduced local thickness. The finite element modelling confirmed the high stress concentrations of these weak points leading to the fracture of the sample. - Highlights: • CoCrMo samples fabricated by Electron Beam Melting (EBM) process are considered. • X-ray Computed Tomography is used to observe the structure of the sample. • The mechanical properties are tested thanks to an in situ test in the tomograph. • A finite element model is developed to model the mechanical behaviour.

  14. 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

  15. Local Structure Fixation in the Composite Manufacturing Chain

    Science.gov (United States)

    Girdauskaite, Lina; Krzywinski, Sybille; Rödel, Hartmut; Wildasin-Werner, Andrea; Böhme, Ralf; Jansen, Irene

    2010-12-01

    Compared to metal materials, textile reinforced composites show interesting features, but also higher production costs because of low automation rate in the manufacturing chain at this time. Their applicability is also limited due to quality problems, which restrict the production of complex shaped dry textile preforms. New technologies, design concepts, and cost-effective manufacturing methods are needed in order to establish further fields of application. This paper deals with possible ways to improve the textile deformation process by locally applying a fixative to the structure parallel to the cut. This hinders unwanted deformation in the textile stock during the subsequent stacking and formation steps. It is found that suitable thermoplastic binders, applied in the appropriate manner do not restrict formation of the textile and have no negative influence on the mechanical properties of the composite.

  16. Exclusivity structures and graph representatives of local complementation orbits

    Science.gov (United States)

    Cabello, Adán; Parker, Matthew G.; Scarpa, Giannicola; Severini, Simone

    2013-07-01

    We describe a construction that maps any connected graph G on three or more vertices into a larger graph, H(G), whose independence number is strictly smaller than its Lovász number which is equal to its fractional packing number. The vertices of H(G) represent all possible events consistent with the stabilizer group of the graph state associated with G, and exclusive events are adjacent. Mathematically, the graph H(G) corresponds to the orbit of G under local complementation. Physically, the construction translates into graph-theoretic terms the connection between a graph state and a Bell inequality maximally violated by quantum mechanics. In the context of zero-error information theory, the construction suggests a protocol achieving the maximum rate of entanglement-assisted capacity, a quantum mechanical analogue of the Shannon capacity, for each H(G). The violation of the Bell inequality is expressed by the one-shot version of this capacity being strictly larger than the independence number. Finally, given the correspondence between graphs and exclusivity structures, we are able to compute the independence number for certain infinite families of graphs with the use of quantum non-locality, therefore highlighting an application of quantum theory in the proof of a purely combinatorial statement.

  17. Local causal structures, Hadamard states and the principle of local covariance in quantum field theory

    Energy Technology Data Exchange (ETDEWEB)

    Dappiaggi, Claudio [Erwin Schroedinger Institut fuer Mathematische Physik, Wien (Austria); Pinamonti, Nicola [Hamburg Univ. (Germany). 2. Inst. fuer Theoretische Physik; Porrmann, Martin [KwaZulu-Natal Univ. (South Africa). Quantum Research Group, School of Physics; National Institute for Theoretical Physics, Durban (South Africa)

    2010-01-15

    In the framework of the algebraic formulation, we discuss and analyse some new features of the local structure of a real scalar quantum field theory in a strongly causal spacetime. In particular we use the properties of the exponential map to set up a local version of a bulk-to-boundary correspondence. The bulk is a suitable subset of a geodesic neighbourhood of any but fixed point p of the underlying background, while the boundary is a part of the future light cone having p as its own tip. In this regime, we provide a novel notion for the extended *-algebra of Wick polynomials on the said cone and, on the one hand, we prove that it contains the information of the bulk counterpart via an injective *-homomorphism while, on the other hand, we associate to it a distinguished state whose pull-back in the bulk is of Hadamard form. The main advantage of this point of view arises if one uses the universal properties of the exponential map and of the light cone in order to show that, for any two given backgrounds M and M{sup '} and for any two subsets of geodesic neighbourhoods of two arbitrary points, it is possible to engineer the above procedure such that the boundary extended algebras are related via a restriction homomorphism. This allows for the pull-back of boundary states in both spacetimes and, thus, to set up a machinery which permits the comparison of expectation values of local field observables in M and M{sup '}. (orig.)

  18. Local causal structures, Hadamard states and the principle of local covariance in quantum field theory

    International Nuclear Information System (INIS)

    Dappiaggi, Claudio; Pinamonti, Nicola

    2010-01-01

    In the framework of the algebraic formulation, we discuss and analyse some new features of the local structure of a real scalar quantum field theory in a strongly causal spacetime. In particular we use the properties of the exponential map to set up a local version of a bulk-to-boundary correspondence. The bulk is a suitable subset of a geodesic neighbourhood of any but fixed point p of the underlying background, while the boundary is a part of the future light cone having p as its own tip. In this regime, we provide a novel notion for the extended *-algebra of Wick polynomials on the said cone and, on the one hand, we prove that it contains the information of the bulk counterpart via an injective *-homomorphism while, on the other hand, we associate to it a distinguished state whose pull-back in the bulk is of Hadamard form. The main advantage of this point of view arises if one uses the universal properties of the exponential map and of the light cone in order to show that, for any two given backgrounds M and M ' and for any two subsets of geodesic neighbourhoods of two arbitrary points, it is possible to engineer the above procedure such that the boundary extended algebras are related via a restriction homomorphism. This allows for the pull-back of boundary states in both spacetimes and, thus, to set up a machinery which permits the comparison of expectation values of local field observables in M and M ' . (orig.)

  19. 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.

  20. 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

  1. 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

  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. 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.

  4. Compare local pocket and global protein structure models by small structure patterns

    KAUST Repository

    Cui, Xuefeng

    2015-09-09

    Researchers proposed several criteria to assess the quality of predicted protein structures because it is one of the essential tasks in the Critical Assessment of Techniques for Protein Structure Prediction (CASP) competitions. Popular criteria include root mean squared deviation (RMSD), MaxSub score, TM-score, GDT-TS and GDT-HA scores. All these criteria require calculation of rigid transformations to superimpose the the predicted protein structure to the native protein structure. Yet, how to obtain the rigid transformations is unknown or with high time complexity, and, hence, heuristic algorithms were proposed. In this work, we carefully design various small structure patterns, including the ones specifically tuned for local pockets. Such structure patterns are biologically meaningful, and address the issue of relying on a sufficient number of backbone residue fragments for existing methods. We sample the rigid transformations from these small structure patterns; and the optimal superpositions yield by these small structures are refined and reported. As a result, among 11; 669 pairs of predicted and native local protein pocket models from the CASP10 dataset, the GDT-TS scores calculated by our method are significantly higher than those calculated by LGA. Moreover, our program is computationally much more efficient. Source codes and executables are publicly available at http://www.cbrc.kaust.edu.sa/prosta/

  5. 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

  6. 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.

  7. 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.

  8. 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.

  9. 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

  10. Local structure of scalar flux in turbulent passive scalar mixing

    Science.gov (United States)

    Konduri, Aditya; Donzis, Diego

    2012-11-01

    Understanding the properties of scalar flux is important in the study of turbulent mixing. Classical theories suggest that it mainly depends on the large scale structures in the flow. Recent studies suggest that the mean scalar flux reaches an asymptotic value at high Peclet numbers, independent of molecular transport properties of the fluid. A large DNS database of isotropic turbulence with passive scalars forced with a mean scalar gradient with resolution up to 40963, is used to explore the structure of scalar flux based on the local topology of the flow. It is found that regions of small velocity gradients, where dissipation and enstrophy are small, constitute the main contribution to scalar flux. On the other hand, regions of very small scalar gradient (and scalar dissipation) become less important to the scalar flux at high Reynolds numbers. The scaling of the scalar flux spectra is also investigated. The k - 7 / 3 scaling proposed by Lumley (1964) is observed at high Reynolds numbers, but collapse is not complete. A spectral bump similar to that in the velocity spectrum is observed close to dissipative scales. A number of features, including the height of the bump, appear to reach an asymptotic value at high Schmidt number.

  11. 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

  12. Assessing local structure motifs using order parameters for motif recognition, interstitial identification, and diffusion path characterization

    Science.gov (United States)

    Zimmermann, Nils E. R.; Horton, Matthew K.; Jain, Anubhav; Haranczyk, Maciej

    2017-11-01

    Structure-property relationships form the basis of many design rules in materials science, including synthesizability and long-term stability of catalysts, control of electrical and optoelectronic behavior in semiconductors as well as the capacity of and transport properties in cathode materials for rechargeable batteries. The immediate atomic environments (i.e., the first coordination shells) of a few atomic sites are often a key factor in achieving a desired property. Some of the most frequently encountered coordination patterns are tetrahedra, octahedra, body and face-centered cubic as well as hexagonal closed packed-like environments. Here, we showcase the usefulness of local order parameters to identify these basic structural motifs in inorganic solid materials by developing classification criteria. We introduce a systematic testing framework, the Einstein crystal test rig, that probes the response of order parameters to distortions in perfect motifs to validate our approach. Subsequently, we highlight three important application cases. First, we map basic crystal structure information of a large materials database in an intuitive manner by screening the Materials Project (MP) database (61,422 compounds) for element-specific motif distributions. Second, we use the structure-motif recognition capabilities to automatically find interstitials in metals, semiconductor, and insulator materials. Our Interstitialcy Finding Tool (InFiT) facilitates high-throughput screenings of defect properties. Third, the order parameters are reliable and compact quantitative structure descriptors for characterizing diffusion hops of intercalants as our example of magnesium in MnO2-spinel indicates. Finally, the tools developed in our work are readily and freely available as software implementations in the pymatgen library, and we expect them to be further applied to machine-learning approaches for emerging applications in materials science.

  13. Structure of a PKA RIα Recurrent Acrodysostosis Mutant Explains Defective cAMP-Dependent Activation.

    Science.gov (United States)

    Bruystens, Jessica Gh; Wu, Jian; Fortezzo, Audrey; Del Rio, Jason; Nielsen, Cole; Blumenthal, Donald K; Rock, Ruth; Stefan, Eduard; Taylor, Susan S

    2016-12-04

    Most disease-related mutations that impair cAMP protein kinase A (PKA) signaling are present within the regulatory (R) PKA RI alpha-subunit (RIα). Although mutations in the PRKAR1A gene are linked to Carney complex (CNC) disease and, more recently, to acrodysostosis-1 (ACRDYS1), the two diseases show contrasting phenotypes. While CNC mutations cause increased PKA activity, ACRDYS1 mutations result in decreased PKA activity and cAMP resistant holoenzymes. Mapping the ACRDYS1 disease mutations reveals their localization to the second of two tandem cAMP-binding (CNB) domains (CNB-B), and here, we characterize a recurrent deletion mutant where the last 14 residues are missing. The crystal structure of a monomeric form of this mutant (RIα92-365) bound to the catalytic (C)-subunit reveals the dysfunctional regions of the RIα subunit. Beyond the missing residues, the entire capping motif is disordered (residues 357-379) and explains the disrupted cAMP binding. Moreover, the effects of the mutation extend far beyond the CNB-B domain and include the active site and N-lobe of the C-subunit, which is in a partially open conformation with the C-tail disordered. A key residue that contributes to this crosstalk, D267, is altered in our structure, and we confirmed its functional importance by mutagenesis. In particular, the D267 interaction with Arg241, a residue shown earlier to be important for allosteric regulation, is disrupted, thereby strengthening the interaction of D267 with the C-subunit residue Arg194 at the R:C interface. We see here how the switch between active (cAMP-bound) and inactive (holoenzyme) conformations is perturbed and how the dynamically controlled crosstalk between the helical domains of the two CNB domains is necessary for the functional regulation of PKA activity. Copyright © 2016 Elsevier Ltd. All rights reserved.

  14. Variable low energy positron beams for depth resolved defect spectroscopy in thin film structures

    International Nuclear Information System (INIS)

    Amarendra, G.; Viswanathan, B.; Venugopal Rao, G.; Parimala, J.; Purniah, B.

    1997-01-01

    The design, development and commissioning details of an ultra high vacuum compatible, magnetically-guided and compact variable low energy positron beam facility are reported. Information pertaining to the nature, concentration and spatial distribution of defects present at various depths in the near-surface layers of a material can be obtained using this technique. Some of the experimental results obtained using this facility, in terms of surface-sensitive positronium fraction measurements on Cu surfaces as well as defect-sensitive Doppler broadening measurements on semiconductor interfaces and ion irradiated silicon are presented. These results essentially provide an illustration of the research capability of the technique for the study of sub-surface regions and thin film interfaces. (author)

  15. Point defects as a test ground for the local density approximation +U theory: Mn, Fe, and V{sub Ga} in GaN

    Energy Technology Data Exchange (ETDEWEB)

    Volnianska, O.; Zakrzewski, T. [Institute of Physics PAS, 02-668 Warsaw (Poland); Boguslawski, P. [Institute of Physics PAS, 02-668 Warsaw (Poland); Institute of Physics, Kazimierz Wielki University, 85-072 Bydgoszcz (Poland)

    2014-09-21

    Electronic structure of the Mn and Fe ions and of the gallium vacancy V{sub Ga} in GaN was analysed within the GGA + U approach. First, the +U term was treated as a free parameter, and applied to p(N), d(Mn), and d(Fe). The band gap of GaN is reproduced for U(N) ≈ 4 eV. The electronic structure of defect states was found to be more sensitive to the value of U than that of the bulk states. Both the magnitude and the sign of the U-induced energy shifts of levels depend on occupancies, and thus on the defect charge state. The energy shifts also depend on the hybridization between defect and host states, and thus are different for different level symmetries. In the case of V{sub Ga}, these effects lead to stabilization of spin polarization and the “negative-U{sub eff}” behavior. The values of Us were also calculated using the linear response approach, which gives U(Fe) ≈ U(Mn) ≈ 4 eV. This reproduces well the results of previous hybrid functionals calculations. However, the best agreement with the experimental data is obtained for vanishing or even negative U(Fe) and U(Mn)

  16. On the defect structure due to low energy ion bombardment of graphite

    Science.gov (United States)

    Marton, D.; Bu, H.; Boyd, K. J.; Todorov, S. S.; Al-Bayati, A. H.; Rabalais, J. W.

    1995-03-01

    Graphite surfaces cleaved perpendicular to the c axis have been irradiated with low doses of Ar + ions at 50 eV kinetic energy and perpendicular incidence. Scanning tunneling micrographs (STM) of these irradiated surfaces exhibited dome-like features as well as point defects. These dome-like features retain undisturbed graphite periodicity. This finding is attributed to the stopping of ions between the first and second graphite sheets. The possibility of doping semiconductors at extremely shallow depths is raised.

  17. The influence of the defect structure on the nitriding of Fe by PIII

    Czech Academy of Sciences Publication Activity Database

    Jirásková, Yvonna; De Baerdemaeker, Jeremie; Schaaf, P.; Segers, D.; Dauwe, Ch.

    2005-01-01

    Roč. 107, č. 5 (2005), s. 817-820 ISSN 0587-4246. [Polish Seminar on Positron Annihilation /35./. Turawa, 20.09.2004-24.09.2004] R&D Projects: GA MŠk ME 645 Institutional research plan: CEZ:AV0Z20410507 Keywords : defect * positron annihilation * nanointendation Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.394, year: 2005

  18. On the position of local levels of defects in proton-irradiated Pb1-xSnxTe alloys

    International Nuclear Information System (INIS)

    Brandt, N.B.; Gas'kov, A.M.; Ladygin, E.A.; Skipetrov, E.P.; Khorosh, A.G.

    1989-01-01

    Effect of fast proton irradiation (T≅300 K, E=200 keV, F≤2x10 14 cm -2 ) on electrophysical properties of thin layers p-Pb 1-x Sn x Te (0.17 ≤x≤ 0.26) is investigated. Saturation of radiation flux dependences of hole density due to occurrence of a resonance level under irradiation, which is near the ceiling of the valence band of alloys, and due to stabilization of the Fermi level with the resonance level is detected. Possibility of coordination of novadays data on the position of the levels of radiation defects in alloys Pb 1-x Sn x Te is discussed

  19. Structural defect linked to nonrandom mutations in the matrix gene of Biden strain subacute sclerosing panencephalitis virus defined by cDNA cloning and expression of chimeric genes

    International Nuclear Information System (INIS)

    Ayata, M.; Hirano, A.; Wong, T.C.

    1989-01-01

    Biken strain, a nonproductive measles viruslike agent isolated from a subacute sclerosing panencephalitis (SSPE) patient, contains a posttranscriptional defect affecting matrix (M) protein. A putative M protein was translated in vitro with RNA from Biken strain-infected cells. A similar protein was detected in vivo by an antiserum against a peptide synthesized from the cloned M gene of Edmonston strain measles virus. By using a novel method, full-length cDNAs of the Biken M gene were selectively cloned. The cloned Biken M gene contained an open reading frame which encoded 8 extra carboxy-terminal amino acid residues and 20 amino acid substitutions predicted to affect both the hydrophobicity and secondary structure of the gene product. The cloned gene was expressed in vitro and in vivo into a 37,500 M r protein electrophoretically and antigenically distinct from the M protein of Edmonston strain but identical to the M protein in Biken strain-infected cells. Chimeric M proteins synthesized in vitro and in vivo showed that the mutations in the carboxy-proximal region altered the local antigenicity and those in the amino region affected the overall protein conformation. The protein expressed from the Biken M gene was unstable in vivo. Instability was attributed to multiple mutations. These results offer insights into the basis of the defect in Biken strain and pose intriguing questions about the evolutionary origins of SSPE viruses in general

  20. Using the methods of radiospectroscopy (EPR, NMR) to study the nature of the defect structure of solid solutions based on lead zirconate titanate (PZT).

    Science.gov (United States)

    Bykov, Igor; Zagorodniy, Yuriy; Yurchenko, Lesya; Korduban, Alexander; Nejezchleb, Karel; Trachevsky, Vladimir; Dimza, Vilnis; Jastrabik, Lubomir; Dejneka, Alexander

    2014-08-01

    The nature of intrinsic and impurity point defects in lead zirconate titanate (PZT) ceramics has been explored. Using electron paramagnetic resonance (EPR), nuclear magnetic resonance (NMR), and X-ray photoelectron spectroscopy (XPS) methods, several impurity sites have been identified in the materials, including the Fe(3+)-oxygen vacancy (VO) complex and Pb ions. Both of these centers are incorporated into the PZT lattice. The Fe(3+) –VО paramagnetic complex serves as a sensitive probe of the local crystal field in the ceramic; the symmetry of this defect roughly correlates with PZT phase diagram as the composition is varied from PbTiO3 to PbZrO3. NMR spectra (207)Pb in PbTiO3, PbZrO3, and PZT with iron content from 0 to 0.4 wt% showed that increasing the iron concentration leads to a distortion of the crystal structure and to improvement of the electrophysical parameters of the piezoceramics. This is due to the formation of a phase which has a higher symmetry, but at high concentrations of iron (>0.4 wt%), it leads to sharp degradation of electrophysical parameters.

  1. Current Evidence for Developmental, Structural, and Functional Brain Defects following Prenatal Radiation Exposure

    Directory of Open Access Journals (Sweden)

    Tine Verreet

    2016-01-01

    Full Text Available Ionizing radiation is omnipresent. We are continuously exposed to natural (e.g., radon and cosmic and man-made radiation sources, including those from industry but especially from the medical sector. The increasing use of medical radiation modalities, in particular those employing low-dose radiation such as CT scans, raises concerns regarding the effects of cumulative exposure doses and the inappropriate utilization of these imaging techniques. One of the major goals in the radioprotection field is to better understand the potential health risk posed to the unborn child after radiation exposure to the pregnant mother, of which the first convincing evidence came from epidemiological studies on in utero exposed atomic bomb survivors. In the following years, animal models have proven to be an essential tool to further characterize brain developmental defects and consequent functional deficits. However, the identification of a possible dose threshold is far from complete and a sound link between early defects and persistent anomalies has not yet been established. This review provides an overview of the current knowledge on brain developmental and persistent defects resulting from in utero radiation exposure and addresses the many questions that still remain to be answered.

  2. X-ray analysis of temperature induced defect structures in boron implanted silicon

    Science.gov (United States)

    Sztucki, M.; Metzger, T. H.; Kegel, I.; Tilke, A.; Rouvière, J. L.; Lübbert, D.; Arthur, J.; Patel, J. R.

    2002-10-01

    We demonstrate the application of surface sensitive diffuse x-ray scattering under the condition of grazing incidence and exit angles to investigate growth and dissolution of near-surface defects after boron implantation in silicon(001) and annealing. Silicon wafers were implanted with a boron dose of 6×1015 ions/cm2 at 32 keV and went through different annealing treatments. From the diffuse intensity close to the (220) surface Bragg peak we reveal the nature and kinetic behavior of the implantation induced defects. Analyzing the q dependence of the diffuse scattering, we are able to distinguish between point defect clusters and extrinsic stacking faults on {111} planes. Characteristic for stacking faults are diffuse x-ray intensity streaks along directions, which allow for the determination of their growth and dissolution kinetics. For the annealing conditions of our crystals, we conclude that the kinetics of growth can be described by an Ostwald ripening model in which smaller faults shrink at the expense of the larger stacking faults. The growth is found to be limited by the self-diffusion of silicon interstitials. After longer rapid thermal annealing the stacking faults disappear almost completely without shrinking, most likely by transformation into perfect loops via a dislocation reaction. This model is confirmed by complementary cross-sectional transmission electron microscopy.

  3. 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.

  4. 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)

  5. 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.

  6. Assessing Local Structure Motifs Using Order Parameters for Motif Recognition, Interstitial Identification, and Diffusion Path Characterization

    Directory of Open Access Journals (Sweden)

    Nils E. R. Zimmermann

    2017-11-01

    Full Text Available Structure–property relationships form the basis of many design rules in materials science, including synthesizability and long-term stability of catalysts, control of electrical and optoelectronic behavior in semiconductors, as well as the capacity of and transport properties in cathode materials for rechargeable batteries. The immediate atomic environments (i.e., the first coordination shells of a few atomic sites are often a key factor in achieving a desired property. Some of the most frequently encountered coordination patterns are tetrahedra, octahedra, body and face-centered cubic as well as hexagonal close packed-like environments. Here, we showcase the usefulness of local order parameters to identify these basic structural motifs in inorganic solid materials by developing classification criteria. We introduce a systematic testing framework, the Einstein crystal test rig, that probes the response of order parameters to distortions in perfect motifs to validate our approach. Subsequently, we highlight three important application cases. First, we map basic crystal structure information of a large materials database in an intuitive manner by screening the Materials Project (MP database (61,422 compounds for element-specific motif distributions. Second, we use the structure-motif recognition capabilities to automatically find interstitials in metals, semiconductor, and insulator materials. Our Interstitialcy Finding Tool (InFiT facilitates high-throughput screenings of defect properties. Third, the order parameters are reliable and compact quantitative structure descriptors for characterizing diffusion hops of intercalants as our example of magnesium in MnO2-spinel indicates. Finally, the tools developed in our work are readily and freely available as software implementations in the pymatgen library, and we expect them to be further applied to machine-learning approaches for emerging applications in materials science.

  7. 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}.

  8. Local porosity analysis of pore structure in cement paste

    International Nuclear Information System (INIS)

    Hu Jing; Stroeven, Piet

    2005-01-01

    Three-dimensional (3-D) local porosity theory (LPT) was originally proposed by Hilfer and recently used for the analysis of pore space geometry in model sandstone. LPT pursues to define the probability density functions of porosity and porosity connectivity. In doing so, heterogeneity differences in various sandstone samples were assessed. However, fundamental issues as to the stochastic concept of geometric heterogeneity are ignored in Hilfer's LPT theory. This paper focuses on proper sampling procedures that should be based on stochastic approaches to multistage sampling and geometric heterogeneity. Standard LPT analysis provides a 3-D microscopic modeling approach to materials. Traditional experimental techniques yield two-dimensional (2-D) section images, however. Therefore, this paper replaces the method for assessing material data in standard LPT theory to a more practical one, based on stereological, 3-D interpretation of quantitative image analysis data. The developed methodology is used to characterize the pore structure in hardened cement paste with various water/cement ratios (w/c) at different hydration stages

  9. Crustal structure beneath the southern Korean Peninsula from local earthquakes

    Science.gov (United States)

    Kim, Kwang-Hee; Park, Jung-Ho; Park, Yongcheol; Hao, Tian-Yao; Kim, Han-Joon

    2017-05-01

    The 3-D subsurface structure beneath the southern Korean Peninsula is poorly known, even though such information could be key in verifying or rejecting several competing models of the tectonic evolution of East Asia. We constructed a 3-D velocity model of the upper crust beneath the southern Korean Peninsula using 19 935 P-wave arrivals from 747 earthquakes recorded by high-density local seismic networks. Results show significant lateral and vertical variations: velocity increases from northwest to southeast at shallow depths, and significant velocity variations are observed across the South Korea Tectonic Line between the Okcheon Fold Belt and the Youngnam Massif. Collision between the North and South China blocks during the Early Cretaceous might have caused extensive deformation and the observed negative velocity anomalies in the region. The results of the tomographic inversion, combined with the findings of previous studies of Bouguer and isostatic gravity anomalies, indicate the presence of high-density material in the upper and middle crust beneath the Gyeongsang Basin in the southeastern Korean Peninsula. Although our results partially support the indentation tectonic model, it is still premature to discard other tectonic evolution models because our study only covers the southern half of the peninsula.

  10. Historic timber skeleton structures and the local seismic culture

    Science.gov (United States)

    Bostenaru, M.

    2009-04-01

    This presentation deals with the employment of timber skeleton structure and the local seismic culture. After the 1755 earthquake in the reconstruction of Lisbon a type of building with timber skeleton and masonry infill called "gaiola pombalina" was promoted, since this was designed to better resists earthquakes. "Gaiola" means cage, and it was also named after the Marques de Pombal who introduced it in the reconstruction following the earthquake. The „gaiola pombalina" presents a timber skeleton with Saint Andrew crosses in the interior walls with masonry infill and thick masonry load bearing walls loosing in thickness to the upper floors in the exterior walls. The masonry can fall out during earthquakes but the building remains staying given the interior timber skeleton. The type of buildings with timber structure and (masonry) infill behaved well in earthquakes in various parts of the earth, like Nepal (the dhaji dewary type), Pakistan, Turkey (the himiş type after the 1999 earthquake) [both latter types were researched by Langenbach, www.conservationtech.com and www.traditional-is-modern.net] and also in Germany after the 1356 earthquake (the Southern German subtype of Fachwerk). Also in Italy a subtype called "casa baraccata" was promoted in a construction code to a similar time (following the 1783 earthquake in Southern Italy, see Tobriner 1983) as that of the "gaiola pombalina", the time of the Baroque, when town planning acquired another status. Unlike at the "gaiola pombalina" the "casa baraccata" the timber skeleton is at the exterior walls. For this reason this type of buildings is considered to be an expression of the local seismic culture. However, this type of buildings is common also for areas where seismic risk is not an issue, like half-timbered in England and the northern subtype of Fachwerk in Northern Germany, and in some high seismic risk regions with mountains and timber resources like Romania is not spread. Given these premises the author

  11. Thermodynamics and local structure of vinyl polymer melts

    International Nuclear Information System (INIS)

    Yethiraj, A.; Curro, J.G.; Rajasekaran, J.J.

    1995-01-01

    Monte Carlo simulation results are reported for the site-site pair correlations and equation of state of model vinyl polymer melts. The molecules are freely jointed hard chains with a hard sphere side-group attached to every other backbone bead. The local structure and pressure are investigated as a function of the diameter of the side group for melt-like densities. The intramolecular correlation functions are well represented by a single chain model where excluded volume interactions are included for beads separated by four bonds or less and neglected otherwise. The intermolecular correlation functions show interesting packing effects. The side group shields the backbone beads from approaching each other, to a degree that increases with increasing diameter of the side group. The polymer reference interaction site model integral equation theory is in good agreement with the simulation results for the pair correlation functions. At fixed volume fraction, the pressure is found to be a non-monotonic function of the size of the side group. copyright 1995 American Institute of Physics

  12. Strength through structure: visualization and local assessment of the trabecular bone structure

    International Nuclear Information System (INIS)

    Raeth, C; Monetti, R; Bauer, J; Sidorenko, I; Mueller, D; Matsuura, M; Lochmueller, E-M; Zysset, P; Eckstein, F

    2008-01-01

    The visualization and subsequent assessment of the inner human bone structures play an important role for better understanding the disease- or drug-induced changes of bone in the context of osteoporosis giving prospect for better predictions of bone strength and thus of the fracture risk of osteoporotic patients. In this work, we show how the complex trabecular bone structure can be visualized using μCT imaging techniques at an isotropic resolution of 26 μm. We quantify these structures by calculating global and local topological and morphological measures, namely Minkowski functionals (MFs) and utilizing the (an-)isotropic scaling index method (SIM) and by deriving suitable texture measures based on MF and SIM. Using a sample of 151 specimens taken from human vertebrae in vitro, we correlate the texture measures with the mechanically measured maximum compressive strength (MCS), which quantifies the strength of the bone probe, by using Pearson's correlation coefficient. The structure parameters derived from the local measures yield good correlations with the bone strength as measured in mechanical tests. We investigate whether the performance of the texture measures depends on the MCS value by selecting different subsamples according to MCS. Considering the whole sample the results for the newly defined parameters are better than those obtained for the standard global histomorphometric parameters except for bone volume/total volume (BV/TV). If a subsample consisting only of weak bones is analysed, the local structural analysis leads to similar and even better correlations with MCS as compared to BV/TV. Thus, the MF and SIM yield additional information about the stability of the bone especially in the case of weak bones, which corroborates the hypothesis that the bone structure (and not only its mineral mass) constitutes an important component of bone stability.

  13. Study of the defect structure of ''pure'' and doped nonstoichiometric CeO2

    International Nuclear Information System (INIS)

    Blumenthal, R.N.

    1975-09-01

    Electrical conductivity and thermogravimetric measurements were made on Ta 2 O 5 -doped nonstoichiometric CeO 2 (i.e. Ce/sub 1-y/Ta/sub y/O/sub 2-x/ ) as a function of temperature and oxygen partial pressure. Over a limited range of temperature and nonstoichiometry, the isothermal dependence of the electrical conductivity on nonstoichiometry may be described by the equation sigma = A + Bx, where A is the electronic conductivity associated with the electronic defects produced by doping CeO 2 with Ta 2 O 5 . The electronic conductivity resulting from the nonstoichiometric defect reaction O/sup x/ + 2Ce/sub Ce//sup x/ = V 0 + 2Ce'sub Ce/ + 1 / 2 O 2 (g) is equal to Bx. The ionic conductivity may be described by the relation sigma/sub i/ = B[y+x]eμ'/sub V 0 / exp (--E/sub i//kT), and the electronic conductivity by the isothermal expressions sigma/sub e/ proportional to P/sub O 2 //sup -1/4/ and sigma/sub e/ proportional to x; x less than 3 x 10 -2 . These results are consistent with defect models involving doubly ionized oxygen vacancies. An empirical expression (i.e. Δ anti H/sub O 2 / proportional to y/2 or z/4) was obtained relating the dependence of Δ anti H/sub O 2 / on the dopant concentration of lower valent foreign cations (e.g. y/2 for Ce/sub 1-y/M/sub y/O/sub 2-y-x/ and z/4 for Ce/sub 1-z/M/sub z/O/sub 2-z/2-x/ where M = Ca, Sr and M' = Y, La). (auth)

  14. DLTS and capacitance transients study of defects induced by neutron irradiation in MOS structures CCD process

    International Nuclear Information System (INIS)

    Ahaitouf, A.; Losson, E.; Charles, J.P.

    1999-01-01

    The aim of this paper is to study neutron irradiation effects on PMOS capacitors and NMOSFETs transistors. The characterization of induced defects was made by capacitance transients C(t) measurements, DLTS spectroscopy, and optical DLTS (ODLTS). DLTS spectra present three peaks due to deep levels created in the semiconductor and two peaks due to minority carrier generation. Two levels are reported in the literature. Two other minority carrier traps have been observed on ODLTS spectra after irradiation. This can explain the decrease of the minority carrier generation lifetime observed by capacitance transients measurements. (authors)

  15. 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

  16. 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.

  17. Local structure analysis of materials for increased energy efficiency

    Science.gov (United States)

    Medling, Scott

    In this dissertation, a wide range of materials which exhibit interesting properties with potential for energy efficiency applications are investigated. The bulk of the research was conducted using the Extended X-ray Absorption Fine Structure (EXAFS) technique. EXAFS is a powerful tool for elucidating the local structure of novel materials, and it's advantages are presented in Chapter 2. In Chapter 3, I present details on two new techniques which are used in studies later in this dissertation, but are also promising for other, unrelated studies and, therefore, warrant being discussed generally. I explain the presence of and present a method for subtracting the X-ray Raman background in the fluorescence window when collecting fluorescence EXAFS data of a dilute dopant Z in a Z+1 host. I introduce X-ray magnetic circular dichroism (XMCD) and discuss the process to reduce XMCD data, including the self-absorption corrections for low energy K-edges. In Chapter 4, I present a series of investigations on ZnS:Cu electroluminescent phosphors. Optical microscopy indicates that the emission centers do not degrade uniformly or monotonically, but rather, most of the emission centers blink on and off during degradation. The effect of this on various proposed degradation mechanisms is discussed. EXAFS data of ZnS:Cu phosphors ground to enable thinner, lower-voltage devices indicate that grinding preferentially causes damage to the CuS nanoprecipitates, quenching electroluminescence (EL) and concluding that smaller particles must be built up from nanoparticles instead. EXAFS data of nanoparticles show that adding a ZnS shell outside a ZnS:Cu core provides significant additional encapsulation of the Cu, increasing photoluminescence and indicating that this may increase EL if devices can be fabricated. Data from extremely dilute (0.02% Cu) ZnS:Cu nanoparticles is presented in order to specifically study the non-precipitate and suggests that the Cu dopant substitutes for Zn and is

  18. Superpose3D: a local structural comparison program that allows for user-defined structure representations.

    Directory of Open Access Journals (Sweden)

    Pier Federico Gherardini

    Full Text Available Local structural comparison methods can be used to find structural similarities involving functional protein patches such as enzyme active sites and ligand binding sites. The outcome of such analyses is critically dependent on the representation used to describe the structure. Indeed different categories of functional sites may require the comparison program to focus on different characteristics of the protein residues. We have therefore developed superpose3D, a novel structural comparison software that lets users specify, with a powerful and flexible syntax, the structure description most suited to the requirements of their analysis. Input proteins are processed according to the user's directives and the program identifies sets of residues (or groups of atoms that have a similar 3D position in the two structures. The advantages of using such a general purpose program are demonstrated with several examples. These test cases show that no single representation is appropriate for every analysis, hence the usefulness of having a flexible program that can be tailored to different needs. Moreover we also discuss how to interpret the results of a database screening where a known structural motif is searched against a large ensemble of structures. The software is written in C++ and is released under the open source GPL license. Superpose3D does not require any external library, runs on Linux, Mac OSX, Windows and is available at http://cbm.bio.uniroma2.it/superpose3D.

  19. Local chromatin structure of heterochromatin regulates repeated DNA stability, nucleolus structure, and genome integrity

    Energy Technology Data Exchange (ETDEWEB)

    Peng, Jamy C. [Univ. of California, Berkeley, CA (United States)

    2007-01-01

    Heterochromatin constitutes a significant portion of the genome in higher eukaryotes; approximately 30% in Drosophila and human. Heterochromatin contains a high repeat DNA content and a low density of protein-encoding genes. In contrast, euchromatin is composed mostly of unique sequences and contains the majority of single-copy genes. Genetic and cytological studies demonstrated that heterochromatin exhibits regulatory roles in chromosome organization, centromere function and telomere protection. As an epigenetically regulated structure, heterochromatin formation is not defined by any DNA sequence consensus. Heterochromatin is characterized by its association with nucleosomes containing methylated-lysine 9 of histone H3 (H3K9me), heterochromatin protein 1 (HP1) that binds H3K9me, and Su(var)3-9, which methylates H3K9 and binds HP1. Heterochromatin formation and functions are influenced by HP1, Su(var)3-9, and the RNA interference (RNAi) pathway. My thesis project investigates how heterochromatin formation and function impact nuclear architecture, repeated DNA organization, and genome stability in Drosophila melanogaster. H3K9me-based chromatin reduces extrachromosomal DNA formation; most likely by restricting the access of repair machineries to repeated DNAs. Reducing extrachromosomal ribosomal DNA stabilizes rDNA repeats and the nucleolus structure. H3K9me-based chromatin also inhibits DNA damage in heterochromatin. Cells with compromised heterochromatin structure, due to Su(var)3-9 or dcr-2 (a component of the RNAi pathway) mutations, display severe DNA damage in heterochromatin compared to wild type. In these mutant cells, accumulated DNA damage leads to chromosomal defects such as translocations, defective DNA repair response, and activation of the G2-M DNA repair and mitotic checkpoints that ensure cellular and animal viability. My thesis research suggests that DNA replication, repair, and recombination mechanisms in heterochromatin differ from those in

  20. Defects in pipe supports attached to concrete structures at Finnish nuclear power plants

    International Nuclear Information System (INIS)

    Nykaenen, J.E.; Reponen, H.; Suominen, J.

    1981-01-01

    The Installation defects in expansion anchors of pipe supports detected in Sweden attracted the attention of the Finnish nuclear authority, the IRP in the autumm of 1979. No serious deficiencies were found at TVO I and II units where expansion anchors tightened by torguing are used. Preliminary inspections at Lo 2 construction plant revealed a great number of defectively installed expansion anchors of the type which is tightened by hitting. This resulted in placing Lo 1 unit into a cold shut-down condition for inspections and reparation. The shut-down lasted for three weeks during which time, in rooms inaccessible during operation, about 2000 expansion anchors were checked and 95% of them repaired or modified. After running up Lo 1 unit, the work continued in accessible rooms and at Lo2 unit for several months. The main fault was the failure to hit the anchor wedge deep enough into its cylinder. A contributing factor may have been too small hole diameters. The anchor tensile tests conducted at the site proved that the insufficient penetration of the wedge drastically reduces the load capacity. (orig./GL)

  1. Structural Testing of the Blade Reliability Collaborative Effect of Defect Wind Turbine Blades

    Energy Technology Data Exchange (ETDEWEB)

    Desmond, M. [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Hughes, S. [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Paquette, J. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2015-06-08

    Two 8.3-meter (m) wind turbine blades intentionally constructed with manufacturing flaws were tested to failure at the National Wind Technology Center (NWTC) at the National Renewable Energy Laboratory (NREL) south of Boulder, Colorado. Two blades were tested; one blade was manufactured with a fiberglass spar cap and the second blade was manufactured with a carbon fiber spar cap. Test loading primarily consisted of flap fatigue loading of the blades, with one quasi-static ultimate load case applied to the carbon fiber spar cap blade. Results of the test program were intended to provide the full-scale test data needed for validation of model and coupon test results of the effect of defects in wind turbine blade composite materials. Testing was part of the Blade Reliability Collaborative (BRC) led by Sandia National Laboratories (SNL). The BRC seeks to develop a deeper understanding of the causes of unexpected blade failures (Paquette 2012), and to develop methods to enable blades to survive to their expected operational lifetime. Recent work in the BRC includes examining and characterizing flaws and defects known to exist in wind turbine blades from manufacturing processes (Riddle et al. 2011). Recent results from reliability databases show that wind turbine rotor blades continue to be a leading contributor to turbine downtime (Paquette 2012).

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

    International Nuclear Information System (INIS)

    Sawabe, Takashi; Yano, Toyohiko

    2008-01-01

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

  3. On holographic defect entropy

    International Nuclear Information System (INIS)

    Estes, John; Jensen, Kristan; O’Bannon, Andy; Tsatis, Efstratios; Wrase, Timm

    2014-01-01

    We study a number of (3+1)- and (2+1)-dimensional defect and boundary conformal field theories holographically dual to supergravity theories. In all cases the defects or boundaries are planar, and the defects are codimension-one. Using holography, we compute the entanglement entropy of a (hemi-)spherical region centered on the defect (boundary). We define defect and boundary entropies from the entanglement entropy by an appropriate background subtraction. For some (3+1)-dimensional theories we find evidence that the defect/boundary entropy changes monotonically under certain renormalization group flows triggered by operators localized at the defect or boundary. This provides evidence that the g-theorem of (1+1)-dimensional field theories generalizes to higher dimensions

  4. Structural defects and recombination behavior of excited carriers in Cu(In,Ga)Se{sub 2} solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Yang, J.; Du, H. W.; Li, Y.; Gao, M.; Wan, Y. Z.; Xu, F. [SHU-SolarE R& D Lab, Department of Physics, Shanghai University, Shanghai, 200444 (China); Ma, Z. Q., E-mail: zqma@shu.edu.cn [SHU-SolarE R& D Lab, Department of Physics, Shanghai University, Shanghai, 200444 (China); Instrumental Analysis & Research Center, Shanghai University, Shanghai, 200444 (China)

    2016-08-15

    The carriers’ behavior in neutral region (NTR) and space charged region (SCR) of Cu(In,Ga)Se{sub 2} thin film based solar cells has been investigated by temperature dependent photoluminescence (PL-T), electroluminescence (EL-T) and current-voltage (IV-T) from 10 to 300 K. PL-T spectra show that three kinds of defects, namely V{sub Se}, In{sub Cu} and (In{sub Cu}+V{sub Cu}), are localized within the band gap of NTR and SCR of CIGS layer, corresponding to the energy levels of E{sub C}-0.08, E{sub C}-0.20 and E{sub C}-0.25 eV, respectively. The In{sub Cu} and (In{sub Cu}+V{sub Cu}) deep level defects are non-radiative recombination centers at room temperature. The IV-T and EL-T analysis reveals that the injection modes of electrons from ZnO conduction band into Cu(In,Ga)Se{sub 2} layer are tunneling, thermally-excited tunneling and thermionic emission under 10-40, 60-160, and 180-300 K, respectively. At 10-160 K, the electrons tunnel into (In{sub Cu}+V{sub Cu}) and V{sub se} defect levels in band gap of SCR and the drifting is involved in the emission bands at 0.96 and 1.07 eV, which is the direct evidence for a tunneling assisted recombination. At 180-300 K, the electrons are directly injected into the Cu(In,Ga)Se{sub 2} conduction band, and the emission of 1.13 eV are ascribed to the transitions from the conduction band to the valence band.

  5. Local structure of Iridium organometallic catalysts covalently bonded to carbon nanotubes.

    Science.gov (United States)

    Blasco, J.; Cuartero, V.; Subías, G.; Jiménez, M. V.; Pérez-Torrente, J. J.; Oro, L. A.; Blanco, M.; Álvarez, P.; Blanco, C.; Menéndez, R.

    2016-05-01

    Hybrid catalysts based on Iridium N-heterocyclic carbenes anchored to carbon nanotubes (CNT) have been studied by XAFS spectroscopy. Oxidation of CNT yields a large amount of functional groups, mainly hydroxyl groups at the walls and carboxylic groups at the tips, defects and edges. Different kinds of esterification reactions were performed to functionalize oxidized CNT with imidazolium salts. Then, the resulting products were reacted with an Ir organometallic compound to form hybrid catalysts efficient in hydrogen transfer processes. XANES spectroscopy agree with the presence of Ir(I) in these catalysts and the EXAFS spectra detected differences in the local structure of Ir atoms between the initial Ir organometallic compound and the Ir complexes anchored to the CNT. Our results confirm that the halide atom, present in the Ir precursor, was replaced by oxygen from -OH groups at the CNT wall in the first coordination shell of Ir. The lability of this group accounts for the good recyclability and the good efficiency shown by these hybrid catalysts.

  6. 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

  7. 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

  8. Verification of the local structural response of building structures in the anchorage areas of heavy components

    International Nuclear Information System (INIS)

    Krutzik, N.J.; Tropp, R.

    1993-01-01

    In both nuclear and non-nuclear areas of power plants, sections of structures, parts of systems and components are attached to walls and floors by means of anchor plates with bolts, anchor sleeves and bolts and through bolts arranged either in groups or individually. In order to simplify the determination of the transfered vibrations induced by external events (e.g. earthquake, aircraft crash), it is normally assumed that the nodal point between component and concrete possesses rigid body characteristics and the building structure (walls, floors) is also inflexible in the anchorage area. In the course of the parametric studies performed, the nonlinear effects on the anchorage area of a component (in this case an anchor plate and concrete slab) were calculated and the effect of these on the actual vibration behavior and the local structural responses of the building structure at the place of installation of heavy components were investigated. The investigations performed reveal that by taking into account the local behaviour in the anchoring point, it is possible to reduce the dynamic response considerably. More detailed examination of the influence of additional parameters (especially of the geometry of the anchor plates and anchor bolts and their material characteristics) will require further investigations aimed at establishing the characteristics of typical anchor plates. (orig.)

  9. 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.

  10. 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.

  11. 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.

  12. 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)

  13. Reversibility and the structure of the local state space

    International Nuclear Information System (INIS)

    Al-Safi, Sabri W; Richens, Jonathan

    2015-01-01

    The richness of quantum theory’s reversible dynamics is one of its unique operational characteristics, with recent results suggesting deep links between the theory’s reversible dynamics, its local state space and the degree of non-locality it permits. We explore the delicate interplay between these features, demonstrating that reversibility places strong constraints on both the local and global state space. Firstly, we show that all reversible dynamics are trivial (composed of local transformations and permutations of subsytems) in maximally non-local theories whose local state spaces satisfy a dichotomy criterion; this applies to a range of operational models that have previously been studied, such as d-dimensional ‘hyperballs’ and almost all regular polytope systems. By separately deriving a similar result for odd-sided polygons, we show that classical systems are the only regular polytope state spaces whose maximally non-local composites allow for non-trivial reversible dynamics. Secondly, we show that non-trivial reversible dynamics do exist in maximally non-local theories whose state spaces are reducible into two or more smaller spaces. We conjecture that this is a necessary condition for the existence of such dynamics, but that reversible entanglement generation remains impossible even in this scenario. (paper)

  14. Towards a Viable Local Government Structure in Nigeria:

    African Journals Online (AJOL)

    M.P._Ezekiel & D.O_Oriakhogba

    rates.22 Politically also, the role of the local government is to ensure effective .... potential cost savings that might result from large governmental unit.32 Under ... institutional status.33 These are very common in the USA and France. .... the thresholds of consent (in House of Assembly in respect to the area and local.

  15. Development of defects in the structure of PIN dosimetry diodes exposed to gamma radiation

    Energy Technology Data Exchange (ETDEWEB)

    Sopko, V. [Hospital Na Bulovce, Department of Radiological Physics, Budinova 2, CZ-18081 Prague 8 (Czech Republic); Institute of Experimental and Applied Physics, Czech Technical University in Prague, Horska 3a/22, CZ 12800 Prague 2 (Czech Republic); Sopko, B., E-mail: bruno.sopko@cern.ch [Department of Physics, Faculty of Mechanical Engineering, Czech Technical University in Prague, Technicka 4, CZ 16000 Prague 6 (Czech Republic); Faculty of Production Technology and Management, J. E. Purkyně Univerzity in Ústí nad Labem, Na Okraji 1001, 400 01 Ústí nad Labem (Czech Republic); Chren, D. [Department of Physics, Faculty of Mechanical Engineering, Czech Technical University in Prague, Technicka 4, CZ 16000 Prague 6 (Czech Republic); Dammer, J. [Hospital Na Bulovce, Department of Radiological Physics, Budinova 2, CZ-18081 Prague 8 (Czech Republic); Institute of Experimental and Applied Physics, Czech Technical University in Prague, Horska 3a/22, CZ 12800 Prague 2 (Czech Republic); Charles University in Prague, First Faculty of Medicine, Salmovská 1,CZ-12000 Prague 2 (Czech Republic)

    2013-12-01

    Studies of radiation induced defects continue to be relevant as they find an ever greater application due to the increasing radiation doses to which semiconductor detectors are exposed. Efforts of figuring out the changes due to high radiation doses provide the fundamental motivation for this type of experiments. The PIN diode is described, and a developmental disorder caused thereto by 60Co source gamma quanta ranging from 100 kGy to 1 MGy. The calibration curve shows the effect of disturbances on the volt-ampere characteristics as a function of the dose of gamma radiation. The results are compared with earlier published data. Highlights: •We have studied Si PIN diode dosimeters irradiated by gamma. •We measured DLTS spectra and calculated energy traps caused by gamma irradiation. •Increasing dose caused creation of new traps and disappearance of others.

  16. Average and local structure of selected metal deuterides

    Energy Technology Data Exchange (ETDEWEB)

    Soerby, Magnus H.

    2005-07-01

    at ambient and low temperatures. The Switendick criterion is always fulfilled. The local deuterium arrangement in the disordered cubic phase at 298 K resemble that of the ordered monoclinic low-temperature phase at 150 K for length scales up to 4 Aa or three coordination spheres. The nearest and next-nearest deuterium neighbours are statically displaced from their average positions to adapt interatomic distances in better agreement with those in the ordered structure. There are no significant differences in the short-range order around the onset temperature for ordering (252 K and 248 K) as compared to that observed at 298 K. (Author)

  17. Average and local structure of selected metal deuterides

    International Nuclear Information System (INIS)

    Soerby, Magnus H.

    2004-01-01

    temperatures. The Switendick criterion is always fulfilled. The local deuterium arrangement in the disordered cubic phase at 298 K resemble that of the ordered monoclinic low-temperature phase at 150 K for length scales up to 4 Aa or three coordination spheres. The nearest and next-nearest deuterium neighbours are statically displaced from their average positions to adapt interatomic distances in better agreement with those in the ordered structure. There are no significant differences in the short-range order around the onset temperature for ordering (252 K and 248 K) as compared to that observed at 298 K. (Author)

  18. α-Synuclein fibril-induced paradoxical structural and functional defects in hippocampal neurons.

    Science.gov (United States)

    Froula, Jessica M; Henderson, Benjamin W; Gonzalez, Jose Carlos; Vaden, Jada H; Mclean, John W; Wu, Yumei; Banumurthy, Gokulakrishna; Overstreet-Wadiche, Linda; Herskowitz, Jeremy H; Volpicelli-Daley, Laura A

    2018-05-01

    Neuronal inclusions composed of α-synuclein (α-syn) characterize Parkinson's Disease (PD) and Dementia with Lewy bodies (DLB). Cognitive dysfunction defines DLB, and up to 80% of PD patients develop dementia. α-Syn inclusions are abundant in the hippocampus, yet functional consequences are unclear. To determine if pathologic α-syn causes neuronal defects, we induced endogenous α-syn to form inclusions resembling those found in diseased brains by treating hippocampal neurons with α-syn fibrils. At seven days after adding fibrils, α-syn inclusions are abundant in axons, but there is no cell death at this time point, allowing us to assess for potential alterations in neuronal function that are not caused by neuron death. We found that exposure of neurons to fibrils caused a significant reduction in mushroom spine densities, adding to the growing body of literature showing that altered spine morphology is a major pathologic phenotype in synucleinopathies. The reduction in spine densities occurred only in wild type neurons and not in neurons from α-syn knockout mice, suggesting that the changes in spine morphology result from fibril-induced corruption of endogenously expressed α-syn. Paradoxically, reduced postsynaptic spine density was accompanied by increased frequency of miniature excitatory postsynaptic currents (EPSCs) and presynaptic docked vesicles, suggesting enhanced presynaptic function. Action-potential dependent activity was unchanged, suggesting compensatory mechanisms responding to synaptic defects. Although activity at the level of the synapse was unchanged, neurons exposed to α-syn fibrils, showed reduced frequency and amplitudes of spontaneous Ca 2+ transients. These findings open areas of research to determine the mechanisms that alter neuronal function in brain regions critical for cognition at time points before neuron death.

  19. Functional classification of protein structures by local structure matching in graph representation.

    Science.gov (United States)

    Mills, Caitlyn L; Garg, Rohan; Lee, Joslynn S; Tian, Liang; Suciu, Alexandru; Cooperman, Gene; Beuning, Penny J; Ondrechen, Mary Jo

    2018-03-31

    As a result of high-throughput protein structure initiatives, over 14,400 protein structures have been solved by structural genomics (SG) centers and participating research groups. While the totality of SG data represents a tremendous contribution to genomics and structural biology, reliable functional information for these proteins is generally lacking. Better functional predictions for SG proteins will add substantial value to the structural information already obtained. Our method described herein, Graph Representation of Active Sites for Prediction of Function (GRASP-Func), predicts quickly and accurately the biochemical function of proteins by representing residues at the predicted local active site as graphs rather than in Cartesian coordinates. We compare the GRASP-Func method to our previously reported method, structurally aligned local sites of activity (SALSA), using the ribulose phosphate binding barrel (RPBB), 6-hairpin glycosidase (6-HG), and Concanavalin A-like Lectins/Glucanase (CAL/G) superfamilies as test cases. In each of the superfamilies, SALSA and the much faster method GRASP-Func yield similar correct classification of previously characterized proteins, providing a validated benchmark for the new method. In addition, we analyzed SG proteins using our SALSA and GRASP-Func methods to predict function. Forty-one SG proteins in the RPBB superfamily, nine SG proteins in the 6-HG superfamily, and one SG protein in the CAL/G superfamily were successfully classified into one of the functional families in their respective superfamily by both methods. This improved, faster, validated computational method can yield more reliable predictions of function that can be used for a wide variety of applications by the community. © 2018 The Authors Protein Science published by Wiley Periodicals, Inc. on behalf of The Protein Society.

  20. The effect of electron localization on the electronic structure and migration barrier of oxygen vacancies in rutile.

    Science.gov (United States)

    Zhu, Linggang; Hu, Qing-Miao; Yang, Rui

    2014-02-05

    By applying the on-site Coulomb interaction (Hubbard term U) to the Ti d orbital, the influence of electron localization on the electronic structure as well as the transport of oxygen vacancies (VO) in rutile was investigated. With U = 4.5 eV, the positions of defect states in the bandgap were correctly reproduced. The unbonded electrons generated by taking out one neutral oxygen atom are spin parallel and mainly localized on the Ti atoms near VO, giving rise to a magnetic moment of 2 μB, in agreement with the experimental finding. With regard to the migration barrier of VO, surprisingly, we found that U = 4.5 eV only changed the value of the energy barrier by ±0.15 eV, depending on the diffusion path. The most probable diffusion path (along [110]) is the same as that calculated by using the traditional GGA functional. To validate the GGA + U method itself, a hybrid functional with a smaller supercell was used, and the trend of the more probable diffusion path was not changed. In this regard, the traditional GGA functional might still be reliable in the study of intrinsic-defect transportation in rutile. Analyzing the atomic distortion and density of states of the transition states for different diffusion paths, we found that the anisotropy of the diffusion could be rationalized according to the various atomic relaxations and the different positions of the valence bands relative to the Fermi level of the transition states.

  1. 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

  2. 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

  3. Magnetic and optical holonomic manipulation of colloids, structures and topological defects in liquid crystals for characterization of mesoscale self-assembly and dynamics

    Science.gov (United States)

    Varney, Michael C. M.

    Colloidal systems find important applications ranging from fabrication of photonic crystals to direct probing of phenomena encountered in atomic crystals and glasses; topics of great interest for physicists exploring a broad range of scientific, industrial and biomedical fields. The ability to accurately control particles of mesoscale size in various liquid host media is usually accomplished through optical trapping methods, which suffer limitations intrinsic to trap laser intensity and force generation. Other limitations are due to colloid properties, such as optical absorptivity, and host properties, such as viscosity, opacity and structure. Therefore, alternative and/or novel methods of colloidal manipulation are of utmost importance in order to advance the state of the art in technical applications and fundamental science. In this thesis, I demonstrate a magnetic-optical holonomic control system to manipulate magnetic and optical colloids in liquid crystals and show that the elastic structure inherent to nematic and cholesteric liquid crystals may be used to assist in tweezing of particles in a manner impossible in other media. Furthermore, I demonstrate the utility of this manipulation in characterizing the structure and microrheology of liquid crystals, and elucidating the energetics and dynamics of colloids interacting with these structures. I also demonstrate the utility of liquid crystal systems as a table top model system to probe topological defects in a manner that may lead to insights into topologically related phenomena in other fields, such as early universe cosmology, sub-atomic and high energy systems, or Skrymionic structures. I explore the interaction of colloid surface anchoring with the structure inherent in cholesteric liquid crystals, and how this affects the periodic dynamics and localization metastability of spherical colloids undergoing a "falling" motion within the sample. These so called "metastable states" cause colloidal dynamics to

  4. Numerical study of the electronic structure, elastic and optical properties of defect quaternary semiconductor CuGaSnSe4

    Science.gov (United States)

    Shen, Kesheng; Lu, Hai; Zhang, Xianzhou; Jiao, Zhaoyong

    2018-06-01

    The electronic structure, elastic and optical properties of the defect quaternary semiconductor CuGaSnSe4 in I 4 bar structure are systematically investigated using first-principles calculations. We summarize and discuss some of the studies on CuGaSnSe4 in partially ordered chalcopyrite structure and find that there are three atomic arrangements so far, but it is still uncertain which is the most stable. Through detailed simulation and comparison with the corresponding literature, we get three models and predict that M1 model should be the most stable. The band structure and optical properties of compound CuGaSnSe4, including dielectric constant, refractive index and absorption spectrum, are drawn for a more intuitive understanding. The elastic constants are also calculated, which not only prove that CuGaSnSe4 in I 4 bar structure is stable naturally but also help solve the problem of no data to accurately predict axial thermal expansion coefficients. The calculated values of the zero frequency dielectric constant and refractive index are comparable to those of the corresponding chalcopyrite structure but slightly larger.

  5. 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

  6. 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.

  7. The Evolution and Revival Structure of Localized Quantum Wave Packets

    OpenAIRE

    Bluhm, Robert; Kostelecky, Alan; Porter, James

    1995-01-01

    Localized quantum wave packets can be produced in a variety of physical systems and are the subject of much current research in atomic, molecular, chemical, and condensed-matter physics. They are particularly well suited for studying the classical limit of a quantum-mechanical system. The motion of a localized quantum wave packet initially follows the corresponding classical motion. However, in most cases the quantum wave packet spreads and undergoes a series of collapses and revivals. We pre...

  8. 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

  9. Effect of vanadium doping on structural and magnetic properties of defective nano-nickel ferrite

    Science.gov (United States)

    Heiba, Zein K.; Mohamed, Mohamed Bakr; Wahba, Adel Maher; Almalowi, M. I.

    2018-04-01

    Nano-nickel ferrites defected by vanadium doping (NiV x Fe2-1.67 x O4, 0 ≤ x ≤ 0.25) were prepared using a simple sol gel method. Rietveld analysis revealed a nonmonotonic change in lattice parameter, oxygen parameter and magnetization upon doping with vanadium. Cation distributions suggested from either Rietveld analysis or from experimental magnetic moments were in a good agreement. For low doping values ( x = 0.05), vanadium was residing mainly in octahedral sites, while for samples with vanadium content ( x ≥ 0.1) a significant part of vanadium ions resided at tetrahedral sites; a result which has been confirmed by the analysis of Fourier-transform infrared (FTIR) spectrums obtained for the samples. The transmission electron microscope (TEM) image showed fine spherical particles with size of ˜ 11 nm. All samples showed a superparamagnetic nature with a nonmonotonic change of either magnetization ( M S) or coercivity (H C) with the content of nonmagnetic V5+. The cation occupancies indicated presence of an enormous number of vacancies through doping with high valence cation V5+, making present samples potential electrodes for Li- or Na-ion batteries.

  10. 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.

  11. 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 ...

  12. Influence of oxygen incorporation on the defect structure of GaN microrods and nanowires. An XPS and CL study

    International Nuclear Information System (INIS)

    Guzmán, G; Herrera, M; Silva, R; Vásquez, G C; Maestre, D

    2016-01-01

    We report a cathodoluminescence (CL) and x-ray photoelectron spectroscopy (XPS) study of the influence of oxygen incorporation on the defect structure of GaN microrods and nanowires. The micro- and nanostructures were synthesized by a thermal evaporation method, which enables us to incorporate oxygen at different concentrations by varying the growth temperature. HR-TEM measurements revealed that oxygen generates stacking fault defects and edge dislocations along the GaN nanowires. Amorphous GaO x N y compounds were segregated on the surface of the nanowires. XPS, XRD and CL measurements suggests that the microrods and nanowires were composed of amorphous oxynitride compounds at their surface and GaN at their inner region. CL measurements revealed that the nanostructures generated an emission of 2.68 eV that increased in intensity proportionally to their oxygen content. We have attributed this emission to electronic transitions between donor substitutional-oxygen (O N ) and acceptor interstitial-oxygen (O i ) state levels. (paper)

  13. Distortion of Local Atomic Structures in Amorphous Ge-Sb-Te Phase Change Materials

    Science.gov (United States)

    Hirata, A.; Ichitsubo, T.; Guan, P. F.; Fujita, T.; Chen, M. W.

    2018-05-01

    The local atomic structures of amorphous Ge-Sb-Te phase-change materials have yet to be clarified and the rapid crystal-amorphous phase change resulting in distinct optical contrast is not well understood. We report the direct observation of local atomic structures in amorphous Ge2Sb2Te5 using "local" reverse Monte Carlo modeling dedicated to an angstrom-beam electron diffraction analysis. The results corroborated the existence of local structures with rocksalt crystal-like topology that were greatly distorted compared to the crystal symmetry. This distortion resulted in the breaking of ideal octahedral atomic environments, thereby forming local disordered structures that basically satisfied the overall amorphous structure factor. The crystal-like distorted octahedral structures could be the main building blocks in the formation of the overall amorphous structure of Ge-Sb-Te.

  14. Verification of the local structural response of building structures in the anchorage areas of heavy components

    International Nuclear Information System (INIS)

    Krutzik, N.J.; Tropp, R.

    1989-01-01

    In conventional dynamic structural analyses for determining dynamic system response for various locations at which components are installed inside the structures it is common practice (in order to simplify analytical effort) to assume that the anchorage (anchor plate, anchor bolts or throughbolts, concrete and reinforcement in the area of bound) has rigid body characteristics and that the building structure itself does not display any local response of its own. The influence of the stiffness of the anchor plate as well anchor bolts and its stress level on the dynamic response is also neglected. For a large number of anchoring systems, especially for all those components and systems having only a small mass, this assumption is certainly appropriate. At some locations, particularly at points where heavy components are anchored or when loading input has been increased, this can lead to local loading of the anchor system as well as of the building structure well into the nonlinear range. Often, verification of capability to accommodate these loads is not possible without changing the wall thicknesses or increasing the percentage of reinforcement. Since the presence of linear or nonlinear effects can be expected to result in energy dissipation (increase in damping capacity and also a change in the stiffness of the coupled system) it must be assumed that the dynamic response between the theoretical coupling point A and the real connection point B of the component on the anchor plate can be considerably altered. Some changes of the dynamic response in the connection point B have to be expected generally even in cases of linear-elastic loading of the anchorage. Using typical anchoring systems as an example, the influence of consideration of nonlinear effects in the anchorage area of a typical anchor plate on the dynamic response as well as the conservatism of conventional analytical approaches are investigated

  15. 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.

  16. Wuestite (Fe/1-x/O) - A review of its defect structure and physical properties

    Science.gov (United States)

    Hazen, R. M.; Jeanloz, R.

    1984-01-01

    Such complexities of the Wustite structure as nonstoichiometry, ferric iron variable site distribution, long and short range ordering, and exsolution, yield complex physical properties. Magnesiowustite, a phase which has been suggested to occur in the earth's lower mantle, is also expected to exhibit many of these complexities. Geophysical models including the properties of (Mg, Fe)O should accordingly take into account the uncertainties associated with the synthesis and measurement of iron-rich oxides. Given the variability of the Fe(1-x)O structure, it is important that future researchers define the structural state and extent of exsolution of their samples.

  17. Protonic charge defect structures in floating water bridges observed as Zundel and Eigen solvation arrangements

    Science.gov (United States)

    Teschke, Omar; de Castro, Jose Roberto; Valente Filho, Juracyr Ferraz; Soares, David Mendez

    2017-10-01

    Protonic arrangements were detected in water bridge structures using confocal Raman microscopy, and the spectra show two formed structures. The measured Raman spectra were modified using the voltage applied to the bridge structure, which changed the proportion of these two species. Initially, for a 6.3 kV applied voltage, there was a measurable increase in the bridge current above the Ohmic contribution and the observed Raman spectrum of this new injected specie corresponded to the computed spectrum for the Zundel protonic arrangement. As the voltage further increases a contribution from the Eigen proton solvation specie is added to the measured spectrum.

  18. The "local economy" effect of social transfers : an empirical assessment of the impactof th Bolsa Familia program on local productive structure and economic growth

    OpenAIRE

    Rougier, E.; Combarnous, F.; Fauré, Yves-André

    2018-01-01

    Social transfers impact local economic growth through local demand multiplier and local productive structures. Using original data on productive structures, growth determinants and Bolsa Familia conditional transfers (BFP) for the 184 municipalities of the Brazilian state of Ceará during 2003–10, we show that the positive impact of the transfers on local growth is in fact conditional on the direction of local economic structure transformation. Indeed, transfers did spur light manufactur...

  19. Inaccuracy of Wolff-Parkinson-white accessory pathway localization algorithms in children and patients with congenital heart defects.

    Science.gov (United States)

    Bar-Cohen, Yaniv; Khairy, Paul; Morwood, James; Alexander, Mark E; Cecchin, Frank; Berul, Charles I

    2006-07-01

    ECG algorithms used to localize accessory pathways (AP) in patients with Wolff-Parkinson-White (WPW) syndrome have been validated in adults, but less is known of their use in children, especially in patients with congenital heart disease (CHD). We hypothesize that these algorithms have low diagnostic accuracy in children and even lower in those with CHD. Pre-excited ECGs in 43 patients with WPW and CHD (median age 5.4 years [0.9-32 years]) were evaluated and compared to 43 consecutive WPW control patients without CHD (median age 14.5 years [1.8-18 years]). Two blinded observers predicted AP location using 2 adult and 1 pediatric WPW algorithms, and a third blinded observer served as a tiebreaker. Predicted locations were compared with ablation-verified AP location to identify (a) exact match for AP location and (b) match for laterality (left-sided vs right-sided AP). In control children, adult algorithms were accurate in only 56% and 60%, while the pediatric algorithm was correct in 77%. In 19 patients with Ebstein's anomaly, diagnostic accuracy was similar to controls with at times an even better ability to predict laterality. In non-Ebstein's CHD, however, the algorithms were markedly worse (29% for the adult algorithms and 42% for the pediatric algorithms). A relatively large degree of interobserver variability was seen (kappa values from 0.30 to 0.58). Adult localization algorithms have poor diagnostic accuracy in young patients with and without CHD. Both adult and pediatric algorithms are particularly misleading in non-Ebstein's CHD patients and should be interpreted with caution.

  20. Crystal structure of tveitite-(Y): Fractionation of rare-earth elements between positions and the variety of defects

    International Nuclear Information System (INIS)

    Yakubovich, O. V.; Massa, W.; Pekov, I. V.; Gavrilenko, P. G.

    2007-01-01

    The crystal structure of the mineral tveitite-(Y) (Y 0.883 Na 0.106 ) (Ca 0.841 LREE 0.159 )(Ca 0.716 Na 0.204 HREE 0.080 )(Ca 0.092 Na 0.074 )F 6.952 from amazonite pegmatites of Rov-Gora Mountain (Keivy, Kola Peninsula) is determined using X-ray diffraction (Stoe IPDS diffractometer, λMoK α , graphite monochromator, 2θ max = 63.5 o , R = 0.051 for 1542 reflections). The main crystal data are as follows: a = 17.020(2) A, c = 9.679(2) A, V = 2428.2(4) A 3 , space group R3-bar, Z = 18, and ρ calcd = 4.00 g/cm 3 . The idealized structural formula of the mineral is represented as (Y,Na) 6 (Ca,LREE) 6 (Ca,Na,HREE) 6 (Ca,Na)F 42 (Z = 3). The defect structure of the mineral manifests itself in a mixed occupation of all four independent cation positions and in a randomly disordered distribution of fluorine atoms over the majority of anion positions. It is shown that the crystal structure of tveitite-(Y) fulfills the function of an 'Eratosthenes sieve' for yttrium cations and two groups of lanthanide cations, so that these cations are distributed over three different positions.

  1. Effects of alloying elements on defect structures in the incubation period for void swelling in austenitic stainless steels

    International Nuclear Information System (INIS)

    Horiki, M.; Yoshiie, T.; Huang, S.S.; Sato, K.; Cao, X.Z.; Xu, Q.; Troev, T.D.

    2013-01-01

    Positron lifetime measurements were used to study the effects of alloying elements on the defect structure during the incubation period for void swelling in several fcc model alloys. Pure Ni, four model alloys (Fe–Cr–Ni, Fe–Cr–Ni–Mo–Mn, Fe–Cr–Ni–Mo–Mn–Si and Fe–Cr–Ni–Mo–Mn–Si–Ti), and four commercial alloys (SUS316LSS, SUS316SS, SUS304SS and Ti added modified SUS316SS) were irradiated with electrons and neutrons. Even at 363 and 573 K to a dose of 0.2 dpa, an effect of alloying elements was observed. At 363 K irradiation, voids were formed only in Ni and Fe–Cr–Ni. At 573 K irradiation, voids were formed in Ni and all model alloys, though the concentration depended on the alloying elements. In commercial alloys, precipitates were formed instead of vacancy clusters, which prevented void growth

  2. Parametric localized modes in quadratic nonlinear photonic structures

    DEFF Research Database (Denmark)

    Sukhorukov, Andrey A.; Kivshar, Yuri S.; Bang, Ole

    2001-01-01

    interfaces, we derive an effective discrete model for the amplitudes of the fundamental and second-harmonic waves at the interfaces (the so-called discrete chi2 equations) and find, numerically and analytically, the spatially localized solutions-discrete gap solitons. For a single nonlinear interface...

  3. Structure-aware Local Sparse Coding for Visual Tracking

    KAUST Repository

    Qi, Yuankai; Qin, Lei; Zhang, Jian; Zhang, Shengping; Huang, Qingming; Yang, Ming-Hsuan

    2018-01-01

    with the corresponding local regions of the target templates that are the most similar from the global view. Thus, a more precise and discriminative sparse representation is obtained to account for appearance changes. To alleviate the issues with tracking drifts, we

  4. Localized surface plasmon enhanced cellular imaging using random metallic structures

    Science.gov (United States)

    Son, Taehwang; Lee, Wonju; Kim, Donghyun

    2017-02-01

    We have studied fluorescence cellular imaging with randomly distributed localized near-field induced by silver nano-islands. For the fabrication of nano-islands, a 10-nm silver thin film evaporated on a BK7 glass substrate with an adhesion layer of 2-nm thick chromium. Micrometer sized silver square pattern was defined using e-beam lithography and then the film was annealed at 200°C. Raw images were restored using electric field distribution produced on the surface of random nano-islands. Nano-islands were modeled from SEM images. 488-nm p-polarized light source was set to be incident at 60°. Simulation results show that localized electric fields were created among nano-islands and that their average size was found to be 135 nm. The feasibility was tested using conventional total internal reflection fluorescence microscopy while the angle of incidence was adjusted to maximize field enhancement. Mouse microphage cells were cultured on nano-islands, and actin filaments were selectively stained with FITC-conjugated phalloidin. Acquired images were deconvolved based on linear imaging theory, in which molecular distribution was sampled by randomly distributed localized near-field and blurred by point spread function of far-field optics. The optimum fluorophore distribution was probabilistically estimated by repetitively matching a raw image. The deconvolved images are estimated to have a resolution in the range of 100-150 nm largely determined by the size of localized near-fields. We also discuss and compare the results with images acquired with periodic nano-aperture arrays in various optical configurations to excite localized plasmonic fields and to produce super-resolved molecular images.

  5. Local symplectic operators and structures related to them

    International Nuclear Information System (INIS)

    Dorfman, I.Y.; Mokhov, O.I.

    1991-01-01

    Matrices with entries being differential operators, that endow the phase space of an evolution system with a (pre)symplectic structure are considered. Special types of such structures are explicitly described. Links with integrability, geometry of loop spaces, and Baecklund transformations are traces

  6. Correlation between local structure and stability of supercooled liquid state in Zr-based metallic glasses

    International Nuclear Information System (INIS)

    Saida, Junji; Imafuku, Muneyuki; Sato, Shigeo; Sanada, Takashi; Matsubara, Eiichiro; Inoue, Akihisa

    2007-01-01

    The correlation between the local structure and stability of supercooled liquid state is investigated in the Zr 70 (Ni, Cu) 30 binary and Zr 70 Al 10 (Ni, Cu) 20 (numbers indicate at.%) ternary metallic glasses. The Zr 70 Ni 30 binary amorphous alloy with a low stability of supercooled liquid state has a tetragonal Zr 2 Ni-like local structure around Ni atom. Meanwhile, the Zr 70 Cu 30 binary metallic glass has a different local structure of tetragonal Zr 2 Cu, where we suggest the icosahedral local structure by the quasicrystallization behavior in addition of a very small amount of noble metals. The effect of Al addition on the local structure in the Zr-Ni alloy is also examined. We have investigated that the dominant local structure changes in the icosahedral-like structure from the tetragonal Zr 2 Ni-like local structure by the Al substitution with Ni accompanying with the significant stabilization of supercooled liquid state. It is concluded that the formation of icosahedral local structure contributes to the enhancement of stability of supercooled liquid state in the Zr-based alloys

  7. 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.

  8. Liquid crystalline tactoids: ordered structure, defective coalescence and evolution in confined geometries

    Science.gov (United States)

    Wang, Pei-Xi; MacLachlan, Mark J.

    2017-12-01

    Tactoids are liquid crystalline microdroplets that spontaneously nucleate from isotropic dispersions, and transform into macroscopic anisotropic phases. These intermediate structures have been found in a range of molecular, polymeric and colloidal liquid crystals. Typically only studied by polarized optical microscopy, these ordered but easily deformable microdroplets are now emerging as interesting components for structural investigations and developing new materials. In this review, we highlight the structure, property and transformation of tactoids in different compositions, but especially cellulose nanocrystals. We have selected references that illustrate the diversity and most exciting developments in tactoid research, while capturing the historical development of this field. This article is part of a discussion meeting issue `New horizons for cellulose nanotechnology'.

  9. 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.

  10. Defect structure of cubic solid solutions of alkaline earth and rare earth fluorides

    NARCIS (Netherlands)

    DenHartog, HW

    1996-01-01

    In this paper we will consider the disorder in some cubic solid solutions consisting of one of the alkaline earth fluorides and one of the rare earth fluorides. This is an attractive group of model materials, because these materials have a rather simple overall cubic structure. We will discuss the

  11. PROGRESS ON DEVELOPING SONIC INFRARED IMAGING FOR DEFECT DETECTION IN COMPOSITE STRUCTURES

    International Nuclear Information System (INIS)

    Han Xiaoyan; He Qi; Li Wei; Newaz, Golam; Favro, Lawrence D.; Thomas, Robert L.

    2010-01-01

    At last year's QNDE conference, we presented our development of Sonic IR imaging technology in metal structures, with results from both experimental studies and theoretical computing. In the latest aircraft designs, such as the B787 from Boeing, composites have become the major materials in structures such as the fuselage and wings. This is in contrast to composites' use only in auxiliary components such as flaps and spoilers in the past. With today's advanced technology of fabrication, it is expected the new materials can be put in use in even more aircraft structures due to its light weight and high strength (high strength-to-weight ratio), high specific stiffness, tailorability of properties, design flexibility etc. Especially, with increases in fuel cost, reducing the aircraft's body weight becomes more and more appealing. In this presentation, we describe the progress on our development of Sonic IR imaging for aircraft composite structures. In particular, we describe the some unexpected results discovered while modeling delaminations. These results were later experimentally verified with an engineered delamination.

  12. Method of determining external defects of a structure by analyzing a series of its images in the monitoring system

    Directory of Open Access Journals (Sweden)

    Loktev Aleksey Alekseevich

    2015-03-01

    geometrical parameters by analyzing a series of images. This is the issue and the subject of this work, which developed the computational algorithms to detect external defects. At the stage of preliminary image processing there is the delineation of characteristic points in the image and the calculation of the optical flow in the area of these points. When determining the defect position, the characteristic points of the image are determined using the detector of Harris-Laplace, which are located in the central part of the image. The characteristic points outside the frame are considered to be background. There is an identification of the changes in characteristic points in the frame in relation to the background by using a pyramidal iterative scheme. In the second stage servo frame focuses on a specific point with the greatest change in relation to the background in the current time. The algorithm for object detection and determination of its parameters includes three procedures: detection procedure start; the procedure of the next image processing; stop procedure for determining the parameters of the object. The method described here can be used to create information-measuring system of monitoring based on the use of photodetectors with high-definition and recognition of defects (color differences and differences in the form compared to the background. Since almost each examination of a building or structure begins with a visual examination and determination of the most probable places of occurrence and presence of the defects, the proposed method can be combined with this stage and it will simplify the process of diagnosing, screening for the development of projects on reconstruction and placement of additional equipment on the existing infrastructure.

  13. Structure and age of the local association (Pleiades group)

    International Nuclear Information System (INIS)

    Eggen, O.J.

    1975-01-01

    The available photometric and motion parameters for some 500 early-type stars brighter than M/sub V/ = -1/sup m/ are used to compute space-motion vectors. It is concluded that (a) about one-third of the stars are members of the local association (Pleiades group) which are easily isolated from the other interarm stars because V = -25 km sec -1 ; (b) some 50 stars with aberrant velocity vectors, and often referred to as ''runaway stars'', may actually be members of the old-disk, or even the halo, population; (c) perhaps the local association (or Gould Belt) stars cannot be separated from other interarm objects on the basis of positional criteria alone; and (d) the age spread in the local association ranges from that of the cluster NGC 2287 to pre-main-sequence stars in several star-producing regions within the association including the large Taurus Aurigae dark cloud and isolated small clouds, such as that near HR 5999/6000. (19 figures, 11 tables, 47 references) (U.S.)

  14. DNA markers reveal genetic structure and localized diversity of ...

    African Journals Online (AJOL)

    uqhdesma

    2016-10-12

    Oct 12, 2016 ... STRUCTURE analysis revealed 4 clusters of genetically ..... 10000 cycles and 50000 Markov Chain Monte Carlo (MCMC) iterations and 10 replicate runs performed for each K value to ..... WL, Lee M, Porter K (2000). Genetic ...

  15. Global/local methods research using a common structural analysis framework

    Science.gov (United States)

    Knight, Norman F., Jr.; Ransom, Jonathan B.; Griffin, O. H., Jr.; Thompson, Danniella M.

    1991-01-01

    Methodologies for global/local stress analysis are described including both two- and three-dimensional analysis methods. These methods are being developed within a common structural analysis framework. Representative structural analysis problems are presented to demonstrate the global/local methodologies being developed.

  16. Localized structures of electromagnetic waves in hot electron-positron plasma

    International Nuclear Information System (INIS)

    Kartal, S.; Tsintsadze, L.N.; Berezhiani, V.I.

    1995-08-01

    The dynamics of relatively strong electromagnetic (EM) wave propagation in hot electron-positron plasma is investigated. The possibility of finding localized stationary structures of EM waves is explored. It it shown that under certain conditions the EM wave forms a stable localized soliton-like structures where plasma is completely expelled from the region of EM field location. (author). 9 refs, 2 figs

  17. C8-structured carbon quantum dots: Synthesis, blue and green double luminescence, and origins of surface defects

    Science.gov (United States)

    Xifang, Chen; Wenxia, Zhang; Qianjin, Wang; Jiyang, Fan

    Carbon quantum dots (CQDs) have attracted great attention in the past few years due to their low cytotoxicity, exploited various synthesis methods, unexampled abundance of raw materials on earth, and robust near-infrared to near-UV luminescence. Carbon nanoparticles have applications in biological labeling, delivery of drugs and biological molecules into cells, and light emitting diodes and lasing. CQDs generally exist as nanodiamonds or graphite quantum dots according to previous research reports. In this study, we report the first synthesis of the third-allotrope CQDs through carbonization of sucrose and study their luminescence properties. These CQDs have a body-centered cubic structure and each lattice point is composed of eight atoms which form a sub-cube (so called C8 crystal structure). High-resolution transmission electron microscopy and X-ray diffraction confirm the C8 structure of the synthesized carbon nanocrystallites with an average size of 2 nm. The C8 CQDs exhibit double-band luminescence with two peaks centered at around 432 and 520 nm. The study based on the photoluminescence, UV-Vis absorption, Fourier-transform infrared, and X-ray photoelectron spectroscopies reveals that the green emission originates from the C=O related surface defect.

  18. 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.

  19. First-principles study of native defects in bulk Sm2CuO4 and its (001) surface structure

    Science.gov (United States)

    Zheng, Fubao; Zhang, Qinfang; Meng, Qiangqiang; Wang, Baolin; Song, Fengqi; Yunoki, Seiji; Wang, Guanghou

    2018-04-01

    Using the first-principles calculations based on the density functional theory, we have studied the bulk defect formation and surface structures of Sm2CuO4. To ensure the accuracy of calculations, the spin order of Cu atoms is rechecked and it is the well-known nearest-neighbor antiferromagnetic ground state, which can be attributed to the hole-mediated superexchange through the strong pdσ hybridization interaction between Cu dx2-y2 electron and the neighboring oxygen px (or py) electron. Under each present experimental condition, the Sm vacancy has a very high formation energy and is unlikely to be stable. The Cu vacancy is a shallow acceptor, which is preferred under O-rich conditions, whereas the O vacancy is a donor and energetically favorable under O-poor conditions. To construct its (001) surface structure, CuOO, CuO, and Cu terminated surfaces are found to be most favorable under different experimental conditions. The stable surface structures are always accompanied by significant surface atomic reconstructions and electron charge redistribution, which are intimately correlated to each other.

  20. Femtosecond laser patterning, synthesis, defect formation, and structural modification of atomic layered materials

    International Nuclear Information System (INIS)

    Yoo, Jae-Hyuck; Kim, Eunpa; Hwang, David J.

    2016-01-01

    This article summarizes recent research on laser-based processing of twodimensional (2D) atomic layered materials, including graphene and transition metal dichalcogenides (TMDCs). Ultrafast lasers offer unique processing routes that take advantage of distinct interaction mechanisms with 2D materials to enable extremely localized energy deposition. Experiments have shown that ablative direct patterning of graphene by ultrafast lasers can achieve resolutions of tens of nanometers, as well as single-step pattern transfer. Ultrafast lasers also induce non-thermal excitation mechanisms that are useful for the thinning of TMDCs to tune the 2D material bandgap. Laser-assisted site-specific doping was recently demonstrated where ultrafast laser radiation under ambient air environment could be used for the direct writing of high-quality graphene patterns on insulating substrates. This article concludes with an outlook towards developing further advanced laser processing with scalability, in situ monitoring strategies and potential applications.

  1. Prickle1 mutation causes planar cell polarity and directional cell migration defects associated with cardiac outflow tract anomalies and other structural birth defects

    Directory of Open Access Journals (Sweden)

    Brian C. Gibbs

    2016-03-01

    Full Text Available Planar cell polarity (PCP is controlled by a conserved pathway that regulates directional cell behavior. Here, we show that mutant mice harboring a newly described mutation termed Beetlejuice (Bj in Prickle1 (Pk1, a PCP component, exhibit developmental phenotypes involving cell polarity defects, including skeletal, cochlear and congenital cardiac anomalies. Bj mutants die neonatally with cardiac outflow tract (OFT malalignment. This is associated with OFT shortening due to loss of polarized cell orientation and failure of second heart field cell intercalation mediating OFT lengthening. OFT myocardialization was disrupted with cardiomyocytes failing to align with the direction of cell invasion into the outflow cushions. The expression of genes mediating Wnt signaling was altered. Also noted were shortened but widened bile ducts and disruption in canonical Wnt signaling. Using an in vitro wound closure assay, we showed Bj mutant fibroblasts cannot establish polarized cell morphology or engage in directional cell migration, and their actin cytoskeleton failed to align with the direction of wound closure. Unexpectedly, Pk1 mutants exhibited primary and motile cilia defects. Given Bj mutant phenotypes are reminiscent of ciliopathies, these findings suggest Pk1 may also regulate ciliogenesis. Together these findings show Pk1 plays an essential role in regulating cell polarity and directional cell migration during development.

  2. Effect of steel structure and defects on reliability of parts of impact mechanisms

    Science.gov (United States)

    Popelyukh, AI; Repin, AA; Alekseev, SE

    2018-03-01

    The paper discusses selection of materials suitable for manufacturing critical parts of impact mechanisms. It is shown that in order to extend life of parts exposed to high dynamic loading, it is expedient to use medium- and high-carbon alloy-treated steels featuring low impurity with nonmetallic inclusions and high hardening characteristics. Application of thermally untreated parts is undesirable as steel having ferrite–pearlite structure possesses low fatigue strength. Aimed to ensure high reliability of parts with a hardness of 42–55 HRC, steel should be reinforced by thermal treatement with the formation of multicomponent martensite–bainite structure. High-quality production should include defectoscopy and incoming material control.

  3. 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

  4. 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.

  5. Fundamental Study of Micro-Defects in Electropolished EB-Welded and Hydroformed SRF Accelerating Structures

    Energy Technology Data Exchange (ETDEWEB)

    Sumption, Mike

    2014-08-29

    In the area of niobium elecropolishing fundamentals, we focused on understanding the influence of the surface topology, and geometry (with effects from gravity included. The formation of a viscous film is essential for the electropolishing process to take place. The exact nature and composition of the film formed on niobium is still unknown because of its solubility in the electrolyte. Extensive pitting may take place at surface where a stable film cannot form. This has to be taken into consideration while determining the speed with which the SRF cavities are rotated while EP. Hydrodynamic aspects must be taken into consideration while optimizing the polishing parameters. There is improvement in surface finish with polishing time. There is a huge change in surface quality when the EP time is increased from 2 hours to 4 hours but not much change takes place when the time is further increased to 6 hours. So keeping the economic points in view, about 100 um defect layer removal may be sufficient to get the desired performance. In the area of Electropolishing of untreated and treated niobium with Weld Joints we studied untreated and treated Nb, especially for the heat affected areas next to welded bumps, electropolished for different durations. The electropolishing of the untreated Nb caused the formation of pits on the surface at about 15 min but they disappeared when the electropolishing duration was more than 15 min. Electropolishing for 120 min smoothened the surface of untreated Nb by levelling the surface, but the severe formation of pits on the whole surface was found after 240 min. The treatment of Nb significantly changed the Nb surface morphology which was covered by grains of different size that looked light or dark in the optical microscope. The treated Nb was susceptible to pitting during the entire electropolishing starting from 15 min and the dark grains had more susceptibility to pitting than the light grains. In addition, electropolishing for 240 min

  6. Remote sensing image segmentation using local sparse structure constrained latent low rank representation

    Science.gov (United States)

    Tian, Shu; Zhang, Ye; Yan, Yimin; Su, Nan; Zhang, Junping

    2016-09-01

    Latent low-rank representation (LatLRR) has been attached considerable attention in the field of remote sensing image segmentation, due to its effectiveness in exploring the multiple subspace structures of data. However, the increasingly heterogeneous texture information in the high spatial resolution remote sensing images, leads to more severe interference of pixels in local neighborhood, and the LatLRR fails to capture the local complex structure information. Therefore, we present a local sparse structure constrainted latent low-rank representation (LSSLatLRR) segmentation method, which explicitly imposes the local sparse structure constraint on LatLRR to capture the intrinsic local structure in manifold structure feature subspaces. The whole segmentation framework can be viewed as two stages in cascade. In the first stage, we use the local histogram transform to extract the texture local histogram features (LHOG) at each pixel, which can efficiently capture the complex and micro-texture pattern. In the second stage, a local sparse structure (LSS) formulation is established on LHOG, which aims to preserve the local intrinsic structure and enhance the relationship between pixels having similar local characteristics. Meanwhile, by integrating the LSS and the LatLRR, we can efficiently capture the local sparse and low-rank structure in the mixture of feature subspace, and we adopt the subspace segmentation method to improve the segmentation accuracy. Experimental results on the remote sensing images with different spatial resolution show that, compared with three state-of-the-art image segmentation methods, the proposed method achieves more accurate segmentation results.

  7. 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/

  8. Structure and chromosomal localization of the human lymphotoxin gene

    International Nuclear Information System (INIS)

    Nedwin, G.E.; Jarrett-Nedwin, J.; Smith, D.H.; Naylor, S.L.; Sakaguchi, A.Y.; Goeddel, D.V.; Gray, P.W.

    1987-01-01

    The authors have isolated, sequenced, and determined the chromosomal localization of the gene encoding human lymphotoxin (LT). The single copy gene was isolated from a human genomic library using a /sup 32/P-labeled 116 bp synthetic DNA fragment whose sequence was based on the NH/sub 2/-terminal amino acid sequence of LT. The gene spans 3 kb of DNA and is interrupted by three intervening sequences. The LT gene is located on human chromosome 6, as determined by Southern blot analysis of human-murine hybrid DNA. Putative transcriptional control regions and areas of homology with the promoters of interferon and other genes are identified

  9. Depth dependent local structures in CoPt thin films

    Energy Technology Data Exchange (ETDEWEB)

    Souza-Neto, N M [Advanced Photon Source, Argonne National Laboratory, Argonne, IL 60439 (United States); Ramos, A Y; Tolentino, H C N; Joly, Y, E-mail: aline.ramos@grenoble.cnrs.f [Institut Neel, CNRS et Univ. Joseph Fourier, BP 166, F-38042 Grenoble Cedex 9 (France)

    2009-11-15

    X-ray absorption spectroscopy (XAS) has been used to clarify the thickness-dependent magnetic properties in nanometric CoPt films. We get benefit from the variation of the sampling depth with the grazing angle to investigate the variations of the local order within the film. In order to properly reconstruct the 3D information the experiments were performed either in the in-plane as in the out-of-plane geometries and supported by ab initio calculations. A depth dependence in the chemical order is revealed and the magnetic behavior is interpreted within this framework.

  10. 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)

  11. Structural and electronic properties of the adsorbed and defected Cu nanowires: A density-functional theory study

    Energy Technology Data Exchange (ETDEWEB)

    Duan, Ying-Ni [College of Physics and Information Technology, Shaanxi Normal University, Xian 710062, Shaanxi (China); Department of Medical Engineering and Technology, Xinjiang Medical University, Urumqi 830011, Xinjiang (China); Zhang, Jian-Min, E-mail: jianm_zhang@yahoo.com [College of Physics and Information Technology, Shaanxi Normal University, Xian 710062, Shaanxi (China); Fan, Xiao-Xi [Department of Medical Engineering and Technology, Xinjiang Medical University, Urumqi 830011, Xinjiang (China); Xu, Ke-Wei [College of Physics and Mechanical and Electronic Engineering, Xian University of Arts and Science, Xian 710065, Shaanxi (China)

    2014-12-01

    Using first-principles calculations based on density-functional theory, we systematically investigate the influence of adsorbates (CO molecule and O atom) and defects (adsorb one extra Cu atom and monovacancy) on the structural and electronic properties of Cu{sub 5-1}NW and Cu{sub 6-1}NW. For both nanowires, CO molecule prefers to adsorb on the top site, while O atom prefers to adsorb on the center site. The hybridization between the CO and Cu states is dominated by the donation–backdonation process, which leads to the formation of bonding/antibonding pairs, 5σ{sub b}/5σ{sub a} and 2π{sub b}{sup ⁎}/2π{sub a}{sup ⁎}. The larger adsorption energies, larger charge transfers to O adatom and larger decrease in quantum conductance 3G{sub 0} for an O atom adsorbed on the Cu{sub 5-1}NW and Cu{sub 6-1}NW show both Cu{sub 5-1}NW and Cu{sub 6-1}NW can be used as an O sensor. Furthermore, the decrease in quantum conductance 1G{sub 0} for a CO molecule adsorbed on the Cu{sub 6-1}NW also shows the Cu{sub 6-1}NW can be used to detect CO molecule. So we expect these results may have implications for CuNW based chemical sensing. High adsorption energy of one extra Cu atom and relatively low formation energy of a monovacancy suggest that these two types of defects are likely to occur in the fabrication of CuNWs. One extra Cu atom does not decrease the quantum conductance, while a Cu monovacancy leads to a drop of the quantum conductance.

  12. Role of oxygen and structural defects in properties of high-Tc superconductors

    International Nuclear Information System (INIS)

    Raveau, B.; Michel, C.; Hervieu, M.; Deslandes, F.; Maignan, A.

    1989-01-01

    Almost two years have passed since the discovery of superconductivity in mixed-valence copper oxides. A number of papers have now been published in this field. In spite of these numerous results, the mechanisms which govern superconductivity in those oxides are so far not understood. The authors discuss how the study of the crystal chemistry of these oxides suggests that two points are of capital importance for the appearance of superconductivity in those compounds: the low dimensionality of the structure and the mixed-valence of copper

  13. Multilevel probabilistic approach to evaluate manufacturing defect in composite aircraft structures

    International Nuclear Information System (INIS)

    Caracciolo, Paola

    2014-01-01

    In this work it is developed a reliable approach and its feasibility to the design and analysis of a composite structures. The metric is compared the robustness and reliability designs versus the traditional design, to demonstrate the gain that can be achieved with a probabilistic approach. The use of the stochastic approach of the uncertain parameteters in combination with the multi-scale levels analysis is the main objective of this paper. The work is dedicated to analyze the uncertainties in the design, tests, manufacturing process, and key gates such as materials characteristic

  14. Multilevel probabilistic approach to evaluate manufacturing defect in composite aircraft structures

    Energy Technology Data Exchange (ETDEWEB)

    Caracciolo, Paola, E-mail: paola.caracciolo@airbus.com [AIRBUS INDUSTRIES Germany, Department of Airframe Architecture and Integration-Research and Technology-Kreetslag, 10, D-21129, Hamburg (Germany)

    2014-05-15

    In this work it is developed a reliable approach and its feasibility to the design and analysis of a composite structures. The metric is compared the robustness and reliability designs versus the traditional design, to demonstrate the gain that can be achieved with a probabilistic approach. The use of the stochastic approach of the uncertain parameteters in combination with the multi-scale levels analysis is the main objective of this paper. The work is dedicated to analyze the uncertainties in the design, tests, manufacturing process, and key gates such as materials characteristic.

  15. Detection and sizing of defects in structural components of a nuclear power plant by ECT

    International Nuclear Information System (INIS)

    Chen, Z.; Miya, K.

    2004-01-01

    In this paper, progress of ECT (eddy current testing) technique for inspection of stress corrosion cracks in a structural component of a nuclear power plant is reported. Access and scanning vehicle (robot), advanced probes for steam generator tube inspection, development and evaluation of new probes for welding joint, and ECT based crack sizing technique are described respectively. Based on these new techniques, it is clarified that ECT can play as a supplement of ultrasonic techniques for the welding zone inspection. It is also proved in this work that new ECT sensors are efficient even for a stainless plate as thick as 15 mm. (authors)

  16. Detection and Sizing of Defects in Structural Components of a Nuclear Power Plant by ECT

    International Nuclear Information System (INIS)

    Chen Zhenmao; Miya, Kenzo

    2005-01-01

    In this paper, progress of ECT technique for inspection of stress corrosion cracks in a structural component of a nuclear power plant is reported. Access and scanning vehicle (robot), advanced probes for SG tube inspection, development and evaluation of new probes for welding joint, and ECT based crack sizing technique are described respectively. Based on these new techniques, it is clarified that ECT can play as a supplement of UT for the welding zone inspection. It is also proved in this work that new ECT sensors are efficient even for a stainless plate as thick as 15mm

  17. Local seismic tomography in Belgium - implications for the geological structure.

    Science.gov (United States)

    Sichien, E.; Camelbeek, T.; Henriet, J.-P.

    2009-04-01

    We present the results of a local seismic tomography in Belgium using well-located local earthquakes registered by 37 stations of the permanent seismic network and by mobile stations installed by the Royal Observatory of Belgium. Previous studies did not offer a lot of information on the middle and lower crust. The seismic profiles shot in the region (Belcorp, Decorp, Ecors, …) all show an unreflective middle and lower crust. The gravimetric and magnetic data show the presence of a sharp transition between the Brabant Massive and the Ardennes allochtone, furthermore, a broad positive gravimetric anomaly, is interpreted as a Moho uplift underneath the Campine region. Our results confirm the sharp transition between the Brabant Massif (higher than expected velocities) and the Ardennes allochtone (lower than expected velocities). At 27 km of depth lower crust - upper mantle velocities (7.50 km/s) are found underneath the Campine region and the Eifelplume region, confirming the Moho uplifts to 28 km underneath these regions. At 13 km similar velocities (7.50 km/s) are seen underneath the Eifelplume, they correspond to a lower crust-upper mantle that trusted in the crust during the Variscan orogeny.

  18. Ultra-structural defects cause low bone matrix stiffness despite high mineralization in osteogenesis imperfecta mice.

    Science.gov (United States)

    Vanleene, Maximilien; Porter, Alexandra; Guillot, Pascale-Valerie; Boyde, Alan; Oyen, Michelle; Shefelbine, Sandra

    2012-06-01

    Bone is a complex material with a hierarchical multi-scale organization from the molecule to the organ scale. The genetic bone disease, osteogenesis imperfecta, is primarily caused by mutations in the collagen type I genes, resulting in bone fragility. Because the basis of the disease is molecular with ramifications at the whole bone level, it provides a platform for investigating the relationship between structure, composition, and mechanics throughout the hierarchy. Prior studies have individually shown that OI leads to: 1. increased bone mineralization, 2. decreased elastic modulus, and 3. smaller apatite crystal size. However, these have not been studied together and the mechanism for how mineral structure influences tissue mechanics has not been identified. This lack of understanding inhibits the development of more accurate models and therapies. To address this research gap, we used a mouse model of the disease (oim) to measure these outcomes together in order to propose an underlying mechanism for the changes in properties. Our main finding was that despite increased mineralization, oim bones have lower stiffness that may result from the poorly organized mineral matrix with significantly smaller, highly packed and disoriented apatite crystals. Using a composite framework, we interpret the lower oim bone matrix elasticity observed as the result of a change in the aspect ratio of apatite crystals and a disruption of the crystal connectivity. Copyright © 2012 Elsevier Inc. All rights reserved.

  19. Muscarinic acetylcholine receptor subtypes: localization and structure/function

    DEFF Research Database (Denmark)

    Brann, M R; Ellis, J; Jørgensen, H

    1993-01-01

    Based on the sequence of the five cloned muscarinic receptor subtypes (m1-m5), subtype selective antibody and cDNA probes have been prepared. Use of these probes has demonstrated that each of the five subtypes has a markedly distinct distribution within the brain and among peripheral tissues...... are described, as well as the implied structures of these functional domains....

  20. Quantum correlations and light localization in disordered nanophotonic structures

    DEFF Research Database (Denmark)

    Smolka, Stephan

    This thesis reports results on quantum properties of light in multiple-scattering nano-structured materials. Spatial quantum correlations of photons are demonstrated experimentally that are induced by multiple scattering of squeezed light and of purely quantum origin. By varying the quantum state...