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.

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

Achieving Radiation Tolerance through Non-Equilibrium Grain Boundary Structures.

Science.gov (United States)

Vetterick, Gregory A; Gruber, Jacob; Suri, Pranav K; Baldwin, Jon K; Kirk, Marquis A; Baldo, Pete; Wang, Yong Q; Misra, Amit; Tucker, Garritt J; Taheri, Mitra L

2017-09-25

Many methods used to produce nanocrystalline (NC) materials leave behind non-equilibrium grain boundaries (GBs) containing excess free volume and higher energy than their equilibrium counterparts with identical 5 degrees of freedom. Since non-equilibrium GBs have increased amounts of both strain and free volume, these boundaries may act as more efficient sinks for the excess interstitials and vacancies produced in a material under irradiation as compared to equilibrium GBs. The relative sink strengths of equilibrium and non-equilibrium GBs were explored by comparing the behavior of annealed (equilibrium) and as-deposited (non-equilibrium) NC iron films on irradiation. These results were coupled with atomistic simulations to better reveal the underlying processes occurring on timescales too short to capture using in situ TEM. After irradiation, NC iron with non-equilibrium GBs contains both a smaller number density of defect clusters and a smaller average defect cluster size. Simulations showed that excess free volume contribute to a decreased survival rate of point defects in cascades occurring adjacent to the GB and that these boundaries undergo less dramatic changes in structure upon irradiation. These results suggest that non-equilibrium GBs act as more efficient sinks for defects and could be utilized to create more radiation tolerant materials in future.

Reconstruction of large upper eyelid defects with a free tarsal plate graft and a myocutaneous pedicle flap plus a free skin graft

DEFF Research Database (Denmark)

Toft, Peter B

2016-01-01

skin graft. RESULTS: All patients healed without necrosis, did not suffer from lagophthalmos, achieved reasonable cosmesis, and did not need lubricants. In one patient, a contact lens was necessary for three weeks because of corneal erosion. One patient still needs a contact lens 3 months after...... excision to avoid eye discomfort. CONCLUSION: Large upper eyelid defects can be reconstructed with a free tarsal plate graft and a laterally based myocutaneous pedicle flap in combination with a free skin graft. Two-step procedures can probably be avoided in most cases....

Fatigue life assessment of free spanning pipelines containing corrosion defects

Energy Technology Data Exchange (ETDEWEB)

Lopes, Rita de Kassia D.; Campello, Georga C.; Matt, Cyntia G. da Costa; Benjamin, Adilson C.; Franciss, Ricardo [PETROBRAS S.A., Rio de Janeiro, RJ (Brazil). Centro de Pesquisas (CENPES)

2009-12-19

The free spanning pipelines assessment is a highlighted issue to be considered during the project and maintenance of the submarine pipelines. It is required to evaluate the fatigue life and the maximum stress due to VIV (Vortex Induced Vibration) as well as wave forces when applicable in case of shallow water. The code DNV-RP-F105 (2006) presents a methodology to calculate the fatigue life for free spanning pipelines. Such methodology however considers the pipe with no kind of defects. Nevertheless, sometimes corrosion defects are detected in periodic inspections and therefore their effects need to be taken into account in the fatigue life evaluation. The purpose of this paper thus is to present a procedure to assess the influence of the corrosion defects in the fatigue life of free spanning pipelines. Some FE analyses were performed to determine the stress concentrate factor (SCF) of the corrosion defects, which were used as input in the methodology presented in the code DNV-RP-F105 (2006). Curves of damage and so lifetime have been generated as function of the span length and water depth. As a practical application, this methodology was applied to a sub sea pipeline with several corrosion defects, localized in shallow water offshore Brazil. (author)

High-Q Defect-Free 2D Photonic Crystal Cavity from Random Localised Disorder

Directory of Open Access Journals (Sweden)

Kelvin Chung

2014-07-01

Full Text Available We propose a high-Q photonic crystal cavity formed by introducing random disorder to the central region of an otherwise defect-free photonic crystal slab (PhC. Three-dimensional finite-difference time-domain simulations determine the frequency, quality factor, Q, and modal volume, V, of the localized modes formed by the disorder. Relatively large Purcell factors of 500–800 are calculated for these cavities, which can be achieved for a large range of degrees of disorders.

Universal Approach toward Hysteresis-Free Perovskite Solar Cell via Defect Engineering.

Science.gov (United States)

Son, Dae-Yong; Kim, Seul-Gi; Seo, Ja-Young; Lee, Seon-Hee; Shin, Hyunjung; Lee, Donghwa; Park, Nam-Gyu

2018-01-31

Organic-inorganic halide perovskite is believed to be a potential candidate for high efficiency solar cells because power conversion efficiency (PCE) was certified to be more than 22%. Nevertheless, mismatch of PCE due to current density (J)-voltage (V) hysteresis in perovskite solar cells is an obstacle to overcome. There has been much lively debate on the origin of J-V hysteresis; however, effective methodology to solve the hysteric problem has not been developed. Here we report a universal approach for hysteresis-free perovskite solar cells via defect engineering. A severe hysteresis observed from the normal mesoscopic structure employing TiO 2 and spiro-MeOTAD is almost removed or does not exist upon doping the pure perovskites, CH 3 NH 3 PbI 3 and HC(NH 2 ) 2 PbI 3 , and the mixed cation/anion perovskites, FA 0.85 MA 0.15 PbI 2.55 Br 0.45 and FA 0.85 MA 0.1 Cs 0.05 PbI 2.7 Br 0.3 , with potassium iodide. Substantial reductions in low-frequency capacitance and bulk trap density are measured from the KI-doped perovskite, which is indicative of trap-hysteresis correlation. A series of experiments with alkali metal iodides of LiI, NaI, KI, RbI and CsI reveals that potassium ion is the right element for hysteresis-free perovskite. Theoretical studies suggest that the atomistic origin of the hysteresis of perovskite solar cells is not the migration of iodide vacancy but results from the formation of iodide Frenkel defect. Potassium ion is able to prevent the formation of Frenkel defect since K + energetically prefers the interstitial site. A complete removal of hysteresis is more pronounced at mixed perovskite system as compared to pure perovskites, which is explained by lower formation energy of K interstitial (-0.65 V for CH 3 NH 3 PbI 3 vs -1.17 V for mixed perovskite). The developed KI doping methodology is universally adapted for hysteresis-free perovskite regardless of perovskite composition and device structure.

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).

Reconstruction of complicated skull base defects utilizing free tissue transfer.

Science.gov (United States)

Djalilian, Hamid R; Gapany, Markus; Levine, Samuel C

2002-11-01

We managed five patients with large skull base defects complicated by complex infections with microvascular free tissue transfer. The first patient developed an infection, cerebrospinal fluid (CSF) leak, and meningitis after undergoing a translabyrinthine resection of an acoustic neuroma. The second patient had a history of a gunshot wound to the temporal bone, with a large defect and an infected cholesteatoma that caused several episodes of meningitis. The third through the fifth patients had persistent CSF leakage and infection refractory to conventional therapy. In all cases prior attempts of closure with fat grafts or regional flaps had failed. Rectus abdominis myofascial free flap, radial forearm free flap or a gracilis muscle free flap was used after debridement of the infected cavities. The CSF leaks, local infections, and meningitis were controlled within a week. In our experience, microvascular free tissue provides the necessary bulk of viable, well-vascularized tissue, which not only assures a mechanical seal but also helps clear the local infection.

Formation of defect-free 6FDA-DAM asymmetric hollow fiber membranes for gas separations

KAUST Repository

Xu, Liren

2014-06-01

This paper reports the formation of defect-free 6FDA-DAM asymmetric hollow fiber membranes. 6FDA-polyimides are of great interest for advanced gas separation membranes, and 6FDA-DAM polyimide is a representative polymer in this family with attractive dense film properties for several potential applications. The work reported here for the 6FDA-DAM polyimide provides insight for the challenging fabrication of defect-free asymmetric hollow fiber membranes for this class of 6FDA-polyimides, which behave rather different from lower free volume polymers. Specifically, the 6FDA based materials show relatively slow phase separation rate in water quench baths, which presents a challenge for fiber spinning. For convenience, we refer to the behavior as more "non-solvent resistant" in comparison to other lower free volume polymers, since the binodal phase boundary is displaced further from the conventional position near the pure polymer-solvent axis on a ternary phase diagram in conventional polymers like Matrimid® and Ultem®. The addition of lithium nitrate to promote phase separation has a useful impact on 6FDA-DAM asymmetric hollow fiber formation. 6FDA-DAM phase diagrams using ethanol and water as non-solvent are reported, and it was found that water is less desirable as a non-solvent dope additive for defect-free fiber spinning. Phase diagrams are also reported for 6FDA-DAM dope formulation with and without the addition of lithium nitrate, and defect-free asymmetric hollow fiber membranes are reported for both cases. The effect of polymer molecular weight on defect-free fiber spinning was also investigated. Gas transport properties and morphology of hollow fibers were characterized. With several thorough case studies, this work provides a systematic guideline for defect-free fiber formation from 6FDA-polymers. © 2014 Elsevier B.V.

Positron trapping defects in free-volume investigation of Ge–Ga–S–CsCl glasses

International Nuclear Information System (INIS)

Klym, H.; Ingram, A.; Shpotyuk, O.; Hotra, O.; Popov, A.I.

2016-01-01

Evolution of free-volume positron trapping defects caused by crystallization process in (80GeS_2–20Ga_2S_3)_1_0_0_−_x(CsCl)_x, 0 ≤ x ≤ 15 chalcogenide-chalcohalide glasses was studied by positron annihilation lifetime technique. It is established that CsCl additives in Ge–Ga–S glassy matrix transform defect-related component spectra, indicating that the agglomeration of free-volume voids occurs in initial and crystallized (80GeS_2–20Ga_2S_3)_1_0_0_−_x(CsCl)_x, 0 ≤ x ≤ 10 glasses. Void fragmentation in (80GeS_2–20Ga_2S_3)_8_5(CsCl)_1_5 glass can be associated with loosing of their inner structure. Full crystallization in each of these glasses corresponds to the formation of defect-related voids. These trends are confirmed by positron-positronium decomposition algorithm. It is shown, that CsCl additives result in white shift in the visible regions in transmission spectra. The γ-irradiation of 80GeS_2–20Ga_2S_3 base glass leads to slight long-wavelength shift of the fundamental optical absorption edge and decreasing of transmission speaks in favor of possible formation of additional defects in glasses and their darkening. - Highlights: • CsCl additives in Ge–Ga–S glassy matrix lead to the agglomeration of voids. • Full crystallization of Ge–Ga–S–CsCl glasses corresponds to the formation of defect voids. • Gamma-irradiation of glass stimulates the creation of additional defects and darkening.

Defect tolerance in resistor-logic demultiplexers for nanoelectronics.

Science.gov (United States)

Kuekes, Philip J; Robinett, Warren; Williams, R Stanley

2006-05-28

Since defect rates are expected to be high in nanocircuitry, we analyse the performance of resistor-based demultiplexers in the presence of defects. The defects observed to occur in fabricated nanoscale crossbars are stuck-open, stuck-closed, stuck-short, broken-wire, and adjacent-wire-short defects. We analyse the distribution of voltages on the nanowire output lines of a resistor-logic demultiplexer, based on an arbitrary constant-weight code, when defects occur. These analyses show that resistor-logic demultiplexers can tolerate small numbers of stuck-closed, stuck-open, and broken-wire defects on individual nanowires, at the cost of some degradation in the circuit's worst-case voltage margin. For stuck-short and adjacent-wire-short defects, and for nanowires with too many defects of the other types, the demultiplexer can still achieve error-free performance, but with a smaller set of output lines. This design thus has two layers of defect tolerance: the coding layer improves the yield of usable output lines, and an avoidance layer guarantees that error-free performance is achieved.

Flow-Through Free Fibula Osteocutaneous Flap in Reconstruction of Tibial Bone, Soft Tissue, and Main Artery Segmental Defects.

Science.gov (United States)

Li, Zonghuan; Yu, Aixi; Qi, Baiwen; Pan, Zhenyu; Ding, Junhui

2017-08-01

The aim of this report was to present the use of flow-through free fibula osteocutaneous flap for the repair of complex tibial bone, soft tissue, and main artery segmental defects. Five patients with bone, soft tissue, and segmental anterior tibial artery defects were included. The lengths of injured tibial bones ranged from 4 to 7 cm. The sizes of impaired soft tissues were between 9 × 4 and 15 × 6 cm. The lengths of defect of anterior tibial artery segments ranged from 6 to 10 cm. Two patients had distal limb perfusion problems. Flow-through free fibula osteocutaneous flap was performed for all 5 patients. Patients were followed for 12 to 18 months. All wounds healed after 1-stage operation, and all flow-through flaps survived. The distal perfusion after vascular repair was normal in all patients. Superficial necrosis of flap edge was noted in 1 case. After the local debridement and partial thickness skin graft, the flap healed uneventfully, and the surgical operation did not increase injury to the donor site. Satisfactory bone union was achieved in all patients in 2 to 4 months postoperation. Enlargement of fibula graft was observed during follow-up from 12 to 18 months. The functions of adjacent joints were recovered, and all patients were able to walk normally. Flow-through free fibula osteocutaneous flap was shown to be an effective and efficient technique for repairing composite tibial bone, soft tissue, and main artery segmental defects. This 1-stage operation should be useful in clinical practice for the treatment of complex bone, soft tissue, and vessel defects.

Dissociation and diffusion of hydrogen on defect-free and vacancy defective Mg (0001) surfaces: A density functional theory study

Energy Technology Data Exchange (ETDEWEB)

Han, Zongying [College of Chemical and Environmental Engineering, Shandong University of Science and Technology, Qingdao 266590 (China); Union Research Center of Fuel Cell, School of Chemical and Environmental Engineering, China University of Mining and Technology, Beijing 100083 (China); Chen, Haipeng [College of Chemical and Environmental Engineering, Shandong University of Science and Technology, Qingdao 266590 (China); College of Mechanical and Electronic Engineering, Shandong University of Science and Technology, Qingdao 266590 (China); Zhou, Shixue, E-mail: zhoushixue66@163.com [College of Chemical and Environmental Engineering, Shandong University of Science and Technology, Qingdao 266590 (China); College of Mechanical and Electronic Engineering, Shandong University of Science and Technology, Qingdao 266590 (China)

2017-02-01

Highlights: • Clarify the effect of vacancy defect on H{sub 2} dissociation on Mg (0001) surface. • Demonstrate the effects of vacancy defect on H atom diffusion. • Reveal the minimum energy diffusion path of H atom from magnesium surface into bulk. - Abstract: First-principles calculations with the density functional theory (DFT) have been carried out to study dissociation and diffusion of hydrogen on defect-free and vacancy defective Mg (0001) surfaces. Results show that energy barriers of 1.42 eV and 1.28 eV require to be overcome for H{sub 2} dissociation on defect-free and vacancy defective Mg (0001) surfaces respectively, indicating that reactivity of Mg (0001) surface is moderately increased due to vacancy defect. Besides, the existence of vacancy defect changes the preferential H atom diffusion entrance to the subsurface and reduces the diffusion energy barrier. An interesting remark is that the minimum energy diffusion path of H atom from magnesium surface into bulk is a spiral channel formed by staggered octahedral and tetrahedral interstitials. The diffusion barriers computed for H atom penetration from the surface into inner-layers are all less than 0.70 eV, which is much smaller than the activation energy for H{sub 2} dissociation on the Mg (0001) surface. This suggests that H{sub 2} dissociation is more likely than H diffusion to be rate-limiting step for magnesium hydrogenation.

Development of dual PZT transducers for reference-free crack detection in thin plate structures.

Science.gov (United States)

Sohn, Hoon; Kim, Seuno Bum

2010-01-01

A new Lamb-wave-based nondestructive testing (NDT) technique, which does not rely on previously stored baseline data, is developed for crack monitoring in plate structures. Commonly, the presence of damage is identified by comparing "current data" measured from a potentially damaged stage of a structure with "baseline data" previously obtained at the intact condition of the structure. In practice, structural defects typically take place long after collection of the baseline data, and the baseline data can be also affected by external loading, temperature variations, and changing boundary conditions. To eliminate the dependence on the baseline data comparison, the authors previously developed a reference-free NDT technique using 2 pairs of collocated lead zirconate titanate (PZT) transducers placed on both sides of a plate. This reference-free technique is further advanced in the present study by the necessity of attaching transducers only on a single surface of a structure for certain applications such as aircraft. To achieve this goal, a new design of PZT transducers called dual PZT transducers is proposed. Crack formation creates Lamb wave mode conversion due to a sudden thickness change of the structure. This crack appearance is instantly detected from the measured Lamb wave signals using the dual PZT transducers. This study also suggests a reference-free statistical approach that enables damage classification using only the currently measured data set. Numerical simulations and experiments were conducted using an aluminum plate with uniform thickness and fundamental Lamb waves modes to demonstrate the applicability of the proposed technique to reference-free crack detection.

Reconstruction of mandibular defects after radiation, using a free, living bone, graft transferred by microvascular anastomoses. An experimental study

International Nuclear Information System (INIS)

Ostrup, L.T.; Fredrickson, J.M.

1975-01-01

The replacement of a mandibular defect by a free, composite rib graft, transferred by microvascular anastomoses of the posterior intercostal vessels to donor vessels in the neck was described previously. We now present data which demonstrate that successful results can be achieved even after radical mandibular radiation. This technique, done in dogs, has obvious implications in the management of oral cancer in man

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

Macro-defect free cements. State of art

International Nuclear Information System (INIS)

Holanda, J.N.F.; Povoa, G.E.A.M.; Souza, G.P.; Pinatti, D.G.

1998-01-01

The purpose of this work is to prevent a state of art about macro-defect-free cement pastes (MDF cement ) of high mechanical strength. This new type of cement paste is obtained through addition of a water-soluble polymer, followed by intense shear mixing and application of low compacting pressure. It is presented fundamental aspects related to the processing of this MDF paste, as well as its main properties and applications are discussed. (author)

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

International Nuclear Information System (INIS)

Sarce, Alicia

2003-01-01

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

Formation of Defect-Free Latex Films on Porous Fiber Supports

KAUST Repository

Lively, Ryan P.; Mysona, Joshua A.; Chance, Ronald R.; Koros, William J.

2011-01-01

a defect-free lumen-side barrier layer can be created. Film experiments examined the effect of drying rate, latex age, substrate porosity (porous vs nonporous), and substrate hydrophobicity/ hydrophilicity. Film studies show that in ideal conditions

[Reconstruction of combined skin and bilateral artey defects at palmar side of fingers by free posterior interrosseous artery flap in a bridge fashion].

Science.gov (United States)

Xu, Bao-cheng; Liang, Gang; Chen, Fu-sheng

2012-05-01

To investigate the feasibility and therapeutic effect of free posterior interrosseous artery flap in a bridge fashion for combined skin and bilateral artery defects at palmar side of fingers. 6 cases with combined skin and bilateral artery defects at palmar side of fingers were treated with long-pedicled free posterior interrosseous artery flap in a bridge fashion. The flap size ranged from 3.5 cm x 2.0 cm to 6.5 em x 3.0 cm. The wounds at donor sites were closed directly. All the 6 flaps survived completely without any complication, and the wounds healed primarily. The blood supply and vein drainage in all the 6 fingers were normal. 4 cases were followed up for 1-12 months (average, 7 months). Satisfactory cosmetic and functional results were achieved. The flaps looked a little bit thicker than the surrounding tissue. The long-pedicled free posterior interrosseous artery flap in a bridge fashion is a good option for reconstruction of the combined skin and bilateral artery defects at palmar side of fingers in one stage.

A systematic review of functional outcome and quality of life following reconstruction of maxillofacial defects using vascularized free fibula flaps and dental rehabilitation reveals poor data quality

NARCIS (Netherlands)

Wijbenga, Johan G.; Schepers, Rutger H.; Werker, Paul M. N.; Witjes, Max J. H.; Dijkstra, Pieter U.

Background: Reconstruction and oral rehabilitation of segmental maxillofacial defects resulting from ablative surgery is commonly achieved by osteocutaneous vascularized free fibula (VFFF) transplantation combined with implant-supported dental prostheses. We systematically reviewed the literature

Measuring excess free energies of self-assembled membrane structures.

Science.gov (United States)

Norizoe, Yuki; Daoulas, Kostas Ch; Müller, Marcus

2010-01-01

Using computer simulation of a solvent-free, coarse-grained model for amphiphilic membranes, we study the excess free energy of hourglass-shaped connections (i.e., stalks) between two apposed bilayer membranes. In order to calculate the free energy by simulation in the canonical ensemble, we reversibly transfer two apposed bilayers into a configuration with a stalk in three steps. First, we gradually replace the intermolecular interactions by an external, ordering field. The latter is chosen such that the structure of the non-interacting system in this field closely resembles the structure of the original, interacting system in the absence of the external field. The absence of structural changes along this path suggests that it is reversible; a fact which is confirmed by expanded-ensemble simulations. Second, the external, ordering field is changed as to transform the non-interacting system from the apposed bilayer structure to two-bilayers connected by a stalk. The final external field is chosen such that the structure of the non-interacting system resembles the structure of the stalk in the interacting system without a field. On the third branch of the transformation path, we reversibly replace the external, ordering field by non-bonded interactions. Using expanded-ensemble techniques, the free energy change along this reversible path can be obtained with an accuracy of 10(-3)k(B)T per molecule in the n VT-ensemble. Calculating the chemical potential, we obtain the free energy of a stalk in the grandcanonical ensemble, and employing semi-grandcanonical techniques, we calculate the change of the excess free energy upon altering the molecular architecture. This computational strategy can be applied to compute the free energy of self-assembled phases in lipid and copolymer systems, and the excess free energy of defects or interfaces.

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

Defect-rich Ni-Ti layered double hydroxide as a highly efficient support for Au nanoparticles in base-free and solvent-free selective oxidation of benzyl alcohol.

Science.gov (United States)

Liu, Mengran; Fan, Guoli; Yu, Jiaying; Yang, Lan; Li, Feng

2018-04-17

Tuning the surface properties of supported metal catalysts is of vital importance for governing their catalytic performances in nanocatalysis. Here, we report highly dispersed nanometric gold nanoparticles (NPs) supported on Ni-Ti layered double hydroxides (NiTi-LDHs), which were employed in solvent-free and base-free selective oxidation of benzyl alcohol. A series of characterization techniques demonstrated that defect-rich NiTi-LDHs could efficiently stabilize Au NPs and decrease surface electron density of Au NPs. The as-formed Au/NiTi-LDH catalyst with a Ni/Ti molar ratio of 3 : 1 and an Au loading of 0.71 wt% yielded the highest turnover frequency value of ∼4981 h-1 at 120 °C among tested Au/NiTi-LDH catalysts with different Ni/Ti molar ratios, along with a high benzaldehyde selectivity of 98%. High catalytic efficiency of the catalyst was mainly correlated with surface cooperation between unique defects (i.e. defective Ti3+ species and oxygen vacancies) and abundant hydroxyl groups on the brucite-like layers of the NiTi-LDH support, which could lead to the preferential adsorption and activation of an alcohol hydroxyl moiety in benzyl alcohol and oxygen molecule, as well as the formation of more electron-deficient Ni3+ and Au0 species on the catalyst surface. Furthermore, the present Au/NiTi-LDH catalyst tolerated the oxidation of a wide variety of substrate structures into the corresponding aldehydes, acids or ketones. Our primary results illustrate that defect-rich NiTi-LDHs are promising supports which can efficiently modify surface structure and electronic properties of supported metal catalysts and consequently improve their catalytic performances.

Surface defect free growth of a spin dimer TlCuCl{sub 3} compound crystals and investigations on its optical and magnetic properties

Energy Technology Data Exchange (ETDEWEB)

Ryu, Gihun, E-mail: G.Ryu@fkf.mpg.de [Max Planck Institute for Solid State Research, Heisenbergstraße 1, 70569 Stuttgart (Germany); Son, Kwanghyo [Max Planck Institute for Intelligent Systems, Heisenbergstraße 3, 70569 Stuttgart (Germany)

2016-05-15

A defect-free high quality single crystal of spin dimer TlCuCl{sub 3} compound is firstly synthesized at the optimal growth temperature using the vertical Bridgman method. In this study, we clearly found that the cupric chloride is easily decomposed into the Cl{sup −} deficient composition at ≥470 °C. The Cl{sup −}- related gas phase at the high temperature region also always gives rise to a pinhole-like surface defect at the surface of crystal. Therefore, we clearly verified an exotic anisotropic magnetic behavior (anisotropic ratio of M{sub b}/M{sub (201)} at 2 K, 7 T=10) using the defect-free TlCuCl{sub 3} crystals in this three-dimensional spin dimer TlCuCl{sub 3} compound, relatively stronger magnetic ordering in the H//b than that of H//(201) direction at above the transition magnetic field. - Graphical abstract: A single crystal of spin dimer TlCuCl{sub 3} compound with a defect free is successfully synthesized on the basis of TG/DTA result. We newly found that this cupric chloride compound is easily decomposed into the Cl{sup −} deficient composition at ≥470 °C and Cl{sup −} related gas phases also give rise to the defects like a pinhole on the surface of TlCuCl{sub 3} crystal. Using the crystals with a surface defect free, we also clearly verified the crystal structure of spin dimer TlCuCl{sub 3} compound.

Electronic structure of point defects in semiconductors

International Nuclear Information System (INIS)

Bruneval, Fabien

2014-01-01

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

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.

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.

Freestyle multiple propeller flap reconstruction (jigsaw puzzle approach) for complicated back defects.

Science.gov (United States)

Park, Sung Woo; Oh, Tae Suk; Eom, Jin Sup; Sun, Yoon Chi; Suh, Hyun Suk; Hong, Joon Pio

2015-05-01

The reconstruction of the posterior trunk remains to be a challenge as defects can be extensive, with deep dead space, and fixation devices exposed. Our goal was to achieve a tension-free closure for complex defects on the posterior trunk. From August 2006 to May 2013, 18 cases were reconstructed with multiple flaps combining perforator(s) and local skin flaps. The reconstructions were performed using freestyle approach. Starting with propeller flap(s) in single or multilobed design and sequentially in conjunction with adjacent random pattern flaps such as fitting puzzle. All defects achieved tensionless primary closure. The final appearance resembled a jigsaw puzzle-like appearance. The average size of defect was 139.6 cm(2) (range, 36-345 cm(2)). A total of 26 perforator flaps were used in addition to 19 random pattern flaps for 18 cases. In all cases, a single perforator was used for each propeller flap. The defect and the donor site all achieved tension-free closure. The reconstruction was 100% successful without flap loss. One case of late infection was noted at 12 months after surgery. Using multiple lobe designed propeller flaps in conjunction with random pattern flaps in a freestyle approach, resembling putting a jigsaw puzzle together, we can achieve a tension-free closure by distributing the tension to multiple flaps, supplying sufficient volume to obliterate dead space, and have reliable vascularity as the flaps do not need to be oversized. This can be a viable approach to reconstruct extensive defects on the posterior trunk. Thieme Medical Publishers 333 Seventh Avenue, New York, NY 10001, USA.

Head and neck reconstruction with pedicled flaps in the free flap era

NARCIS (Netherlands)

Mahieu, R.; Colletti, G.; Bonomo, P.; Parrinello, G.; Iavarone, A.; Dolivet, G.; Livi, L.; Deganello, A.

2016-01-01

Nowadays, the transposition of microvascular free flaps is the most popular method for management of head and neck defects. However, not all patients are suitable candidates for free flap reconstruction. In addition, not every defect requires a free flap transfer to achieve good functional results.

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

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.

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

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.

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.

Effect of an autogenous free fat graft on hemilaminectomy defects in dogs

International Nuclear Information System (INIS)

Shimizu, J.; Koga, M.; Kishimoto, M.; Lee, K.J.; Iwasaki, T.; Miyake, Y.; Yamada, K.

2009-01-01

The purpose of this study was to evaluate the effect of an autogenous free fat graft (FFG) on hemilaminectomy defects. Hemilaminectomy was performed at three levels in three beagles, and each defect was designated as a control site or a site treated with one of two different sizes of FFG. Subsequently, longitudinal computed tomography scanning and histopathological examination were performed. As a result, no postoperative dural adhesion was recognized at the sites where FFGs were placed regardless of the size of the FFG. Moreover, there was no compression of the spinal cord by the FFG. Therefore, it appears that postoperative dural adhesion was controlled by the FFG and that the possibility of FFG migration into the spinal canal is low in hemilaminectomy. In conclusion, placement of an FFG over the defect was considered useful for preventing complications in hemilaminectomy

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.

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.

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).

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.

Repair of a mandibular defect with a free vascularized coccygeal vertebra transfer in a dog.

Science.gov (United States)

Yeh, L S; Hou, S M

1994-01-01

Bilateral mandibular defects in a male mongrel dog were repaired. On the left side, a free vascularized coccygeal bone graft that included the median caudal artery and caudal vein was used to correct the defect. On the right side, the defect was bridged with a bone plate and screws. For further immobilization, the muzzle was temporarily taped for 3 weeks and a pharyngostomy tube was used for nutritional support. The dog was able to eat dry commercial food satisfactorily within 2 months of surgery despite mild malocclusion. Radiographs taken 2 months and 18 months postoperatively showed bony union with graft hypertrophy in the left mandible, whereas the right mandibular defect showed protracted nonunion. The results indicate that vascularized coccygeal vertebra transfer provides an alternative for the management of canine mandibular defects.

Free temporal fascia flap to cover soft tissue defects of the foot: a case report

Directory of Open Access Journals (Sweden)

Schreiber, Martin

2015-01-01

Full Text Available Severe soft tissue defects as a result of lye contamination remain a huge challenge in the interdisciplinary approach of trauma surgeons and plastic surgeons. Free tissue transfer is a suitable surgical option for successful reconstruction of form and function of defects in the distal parts of the lower extremities. We report the successful two-stage reconstruction of a full thickness lye contamination at the dorsum of the foot with a free temporoparietal fascia flap covered with a split-thickness skin graft from the thigh. The described method is a suitable operative alternative to anterolateral thigh flaps or other thin fascia flaps regarding flap harvest and donor site morbidity and should be considered in the portfolio of the plastic surgeon.

Stochastic annealing simulations of defect interactions among subcascades

Energy Technology Data Exchange (ETDEWEB)

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

1997-04-01

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

Formation of defect-free 6FDA-DAM asymmetric hollow fiber membranes for gas separations

KAUST Repository

Xu, Liren; Zhang, Chen; Rungta, Meha; Qiu, Wulin; Liu, Junqiang; Koros, William J.

2014-01-01

This paper reports the formation of defect-free 6FDA-DAM asymmetric hollow fiber membranes. 6FDA-polyimides are of great interest for advanced gas separation membranes, and 6FDA-DAM polyimide is a representative polymer in this family

Advances in defect characterizations of semiconductors using positrons

International Nuclear Information System (INIS)

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

1996-01-01

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

Defects activated photoluminescence in two-dimensional semiconductors: interplay between bound, charged, and free excitons

Science.gov (United States)

Tongay, Sefaattin; Suh, Joonki; Ataca, Can; Fan, Wen; Luce, Alexander; Kang, Jeong Seuk; Liu, Jonathan; Ko, Changhyun; Raghunathanan, Rajamani; Zhou, Jian; Ogletree, Frank; Li, Jingbo; Grossman, Jeffrey C.; Wu, Junqiao

2013-01-01

Point defects in semiconductors can trap free charge carriers and localize excitons. The interaction between these defects and charge carriers becomes stronger at reduced dimensionalities, and is expected to greatly influence physical properties of the hosting material. We investigated effects of anion vacancies in monolayer transition metal dichalcogenides as two-dimensional (2D) semiconductors where the vacancies density is controlled by α-particle irradiation or thermal-annealing. We found a new, sub-bandgap emission peak as well as increase in overall photoluminescence intensity as a result of the vacancy generation. Interestingly, these effects are absent when measured in vacuum. We conclude that in opposite to conventional wisdom, optical quality at room temperature cannot be used as criteria to assess crystal quality of the 2D semiconductors. Our results not only shed light on defect and exciton physics of 2D semiconductors, but also offer a new route toward tailoring optical properties of 2D semiconductors by defect engineering. PMID:24029823

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.

Panorama of Reconstruction of Skull Base Defects: From Traditional Open to Endonasal Endoscopic Approaches, from Free Grafts to Microvascular Flaps

Science.gov (United States)

Reyes, Camilo; Mason, Eric; Solares, C. Arturo

2014-01-01

Introduction A substantial body of literature has been devoted to the distinct characteristics and surgical options to repair the skull base. However, the skull base is an anatomically challenging location that requires a three-dimensional reconstruction approach. Furthermore, advances in endoscopic skull base surgery encompass a wide range of surgical pathology, from benign tumors to sinonasal cancer. This has resulted in the creation of wide defects that yield a new challenge in skull base reconstruction. Progress in technology and imaging has made this approach an internationally accepted method to repair these defects. Objectives Discuss historical developments and flaps available for skull base reconstruction. Data Synthesis Free grafts in skull base reconstruction are a viable option in small defects and low-flow leaks. Vascularized flaps pose a distinct advantage in large defects and high-flow leaks. When open techniques are used, free flap reconstruction techniques are often necessary to repair large entry wound defects. Conclusions Reconstruction of skull base defects requires a thorough knowledge of surgical anatomy, disease, and patient risk factors associated with high-flow cerebrospinal fluid leaks. Various reconstruction techniques are available, from free tissue grafting to vascularized flaps. Possible complications that can befall after these procedures need to be considered. Although endonasal techniques are being used with increasing frequency, open techniques are still necessary in selected cases. PMID:25992142

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.

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

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

Bioactive Glass Nanopowder for theTreatment of Oral Bone Defects

Directory of Open Access Journals (Sweden)

MH. Fathi

2007-09-01

Full Text Available Objective: Osseous defects around dental implants are often seen when implants are placed in areas with inadequate alveolar bone, or around failing implants. Bone regenera-tion in these areas using bone grafts or its substitutes may improve dental implants prog-nosis. The aim of this study was to prepare and characterize the bioactive glass nanopow-der and development of its coating for treatment of oral bone defects.Materials and Methods: Bioactive bioglass coating was made on stainless steel plates by sol-gel technique. The powder shape and size was evaluated by transmission electron mi-cropscopy, and thermal properties studied using differential thermal analysis (DTA. Structural characterization techniques (XRD were used to analyze and study the structure and phase present in the prepared bioactive glass nanopowder. This nanopowder was immersed in the simulated body fluid (SBF solution. Fourier transform infrared spec-troscopy (FTIR was utilized to recognize and confirm the formation of apatite layer on prepared bioactive glass nanopowder.Results: The bioglass powder size was less than 100 nanometers which was necessary for better bioactivity, and preparing a homogeneous coating. The formation of apatite layer confirmed the bioactivity of the bioglass nanopowder. Crack-free and homogeneous bioglass coatings were achieved with no observable defects.Conclusion: It was concluded that the prepared bioactive glass nanopowder could be more effective as a bone replacement material than conventional bioactive glass to pro-mote bone formation in osseous defects. The prepared bioactive glass nanopowder could be more useful for treatment of oral bone defects compare to conventional hydroxyapatite or bioactive glass.

Challenges in the reconstruction of bilateral maxillectomy defects.

Science.gov (United States)

Joseph, Shawn T; Thankappan, Krishnakumar; Buggaveeti, Rahul; Sharma, Mohit; Mathew, Jimmy; Iyer, Subramania

2015-02-01

Bilateral maxillectomy defects, if not adequately reconstructed, can result in grave esthetic and functional problems. The purpose of this study was to investigate the outcome of reconstruction of such defects. This is a retrospective case series. The defects were analyzed for their components and the flaps used for reconstruction. Outcomes for flap loss and functional indices, including oral diet, speech, and dental rehabilitation, also were evaluated. Ten consecutive patients who underwent bilateral maxillectomy reconstruction received 14 flaps. Six patients had malignancies of the maxilla, and 4 patients had nonmalignant indications. Ten bony free flaps were used. Four soft tissue flaps were used. The fibula free flap was the most common flap used. Three patients had total flap loss. Seven patients were alive and available for functional evaluation. Of these, 4 were taking an oral diet with altered consistency and 2 were on a regular diet. Speech was intelligible in all patients. Only 2 patients opted for dental rehabilitation with removable dentures. Reconstruction after bilateral maxillectomy is essential to prevent esthetic and functional problems. Bony reconstruction is ideal. The fibula bone free flap is commonly used. The complexity of the defect makes reconstruction difficult and the initial success rate of free flaps is low. Secondary reconstructions after the initial flap failures were successful. A satisfactory functional outcome can be achieved. Copyright © 2015 American Association of Oral and Maxillofacial Surgeons. Published by Elsevier Inc. All rights reserved.

Reconstruction of distal hand and foot defects with the free proximal peroneal artery perforator flap.

Science.gov (United States)

Scaglioni, Mario F; Kuo, Yur-Ren; Chen, Yen-Chou

2016-03-01

The proximal peroneal artery perforator (PPAP) flap is a reliable, thin fasciocutaneous flap. The purpose of this article was to report our experience with the use of free PPAP flaps for reconstruction of defects of the distal hand and foot. From November 2012 to September 2013, 9 patients received reconstruction with 10 free PPAP flaps. The defect locations included the big toe (2 cases), metatarsophalangeal joint (5 cases), dorsal finger (2 cases) and volar finger (1 case). Flaps were raised based on proximal peroneal perforator vessels without sacrificing the peroneal artery. The first dorsal metatarsal artery (5 cases) and digital artery (5 cases) were dissected as recipient vessels. The flap sizes varied from 2.5 x 2 cm to 9 x 5 cm. All of flaps were survival after surgery. One flap suffered from venous thrombosis and was successfully salvaged by performing a venous thrombectomy and vein graft. The donor sites were all primarily closed with minimal morbidities. Follow-up observations were conducted for 7 to 20 months, and all patients had good functional recovery with satisfying cosmetic results. Perforators arising from the peroneal artery in the proximal lateral leg can be used to design small, pliable fasciocutaneous flaps. Although the pedicle is short, the vessel diameter is adequate for microvascular anastomosis to the distal foot and hand recipient vessels. The free PPAP flap may be a good option for reconstructing distal hand and foot defects. © 2014 Wiley Periodicals, Inc.

Achieving DFT accuracy with a machine-learning interatomic potential: Thermomechanics and defects in bcc ferromagnetic iron

Science.gov (United States)

Dragoni, Daniele; Daff, Thomas D.; Csányi, Gábor; Marzari, Nicola

2018-01-01

We show that the Gaussian Approximation Potential (GAP) machine-learning framework can describe complex magnetic potential energy surfaces, taking ferromagnetic iron as a paradigmatic challenging case. The training database includes total energies, forces, and stresses obtained from density-functional theory in the generalized-gradient approximation, and comprises approximately 150,000 local atomic environments, ranging from pristine and defected bulk configurations to surfaces and generalized stacking faults with different crystallographic orientations. We find the structural, vibrational, and thermodynamic properties of the GAP model to be in excellent agreement with those obtained directly from first-principles electronic-structure calculations. There is good transferability to quantities, such as Peierls energy barriers, which are determined to a large extent by atomic configurations that were not part of the training set. We observe the benefit and the need of using highly converged electronic-structure calculations to sample a target potential energy surface. The end result is a systematically improvable potential that can achieve the same accuracy of density-functional theory calculations, but at a fraction of the computational cost.

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

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

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

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.

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.

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

International Nuclear Information System (INIS)

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

2012-01-01

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

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

Free toe pulp flap for finger pulp and volar defect reconstruction

Directory of Open Access Journals (Sweden)

Jyoshid R Balan

2016-01-01

Full Text Available Background: Fingertip injury requiring flap cover is very common in the modern era. The ideal cover should fulfill both functional and aesthetic improvement. Materials and Methods: From June 2015 to April 2016, we performed seven free toe pulp flaps for finger defect reconstruction. All patients were males. Five flaps were done in emergency post-traumatic cases, and two were done in elective set up. The cases included reconstruction of three thumbs, one index and one ring finger in an emergency set up and two ring fingers in the elective. Thumb reconstruction was done with great toe lateral pulp and the other digits reconstructed with second toe pulp flap. Follow-up evaluation included both functional and aesthetic assessment. Results: Five flaps survived completely, one suffered partial loss, and one flap failed completely. The median follow-up period was 9 months. The median duration of surgery was 255 min (range 210 to 300 min. The median two-point discrimination was 6.5 mm (range 4–8 mm. There was the return of temperature sensation in all patients; two had cold intolerance. The Semmes-Weinstein monofilament score varied from 3.61 to 5.07 (median filament index value 4.31/pressure value of 2 g/mm2. Three patients had delayed donor site wound healing. Conclusions: The free toe pulp flap is an efficient choice for fingertip and volar finger defects reconstruction with an excellent tissue match.

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.

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

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

Computed tomography angiography intraluminal filling defect is predictive of internal carotid artery free-floating thrombus

Energy Technology Data Exchange (ETDEWEB)

Jaberi, A.; Lum, C.; Stefanski, P.; Iancu, D. [University of Ottawa, Faculty of Medicine, Ottawa, Ontario (Canada); The Ottawa Hospital, Department of Radiology, Neuroradiology Section, Ottawa, Ontario (Canada); Thornhill, R. [Neurosciences and Clinical Epidemiology Program/Methods Centre, Ottawa Hospital Research Institute, Ottawa, Ontario (Canada); The Ottawa Hospital, Department of Radiology, Neuroradiology Section, Ottawa, Ontario (Canada); Petrcich, W. [Neurosciences and Clinical Epidemiology Program/Methods Centre, Ottawa Hospital Research Institute, Ottawa, Ontario (Canada); Momoli, F. [Children' s Hospital of Eastern Ontario Research Institute, Ottawa, Ontario (Canada); University of Ottawa, Department of Epidemiology and Community Medicine, Ottawa, Ontario (Canada); Torres, C.; Dowlatshahi, D. [University of Ottawa, Faculty of Medicine, Ottawa, Ontario (Canada); University of Ottawa, Division of Neurology, Department of Medicine, Ottawa, Ontario (Canada)

2014-01-15

Filling defects at the internal carotid artery (ICA) origin in the work-up of stroke or transient ischemic attack may be an ulcerated plaque or free-floating thrombus (FFT). This may be challenging to distinguish, as they can appear morphologically similar. This is an important distinction as FFT can potentially embolize distally, and its management differs. We describe a series of patients with suspected FFT and evaluate its imaging appearance, clinical features, and evolution with therapy. Between 2008 and 2013, we prospectively collected consecutive patients with proximal ICA filling defects in the axial plane surrounded by contrast on CT/MR angiography. We defined FFT as a filling defect that resolved on follow-up imaging. We assessed the cranial-caudal dimension of the filling defect and receiver operating characteristics to identify clinical and radiological variables that distinguished FFT from complex ulcerated plaque. Intraluminal filling defects were identified in 32 patients. Filling defects and resolved or decreased in 25 patients (78 %) and felt to be FFT; there was no change in 7 (22 %). Resolved defects and those that decreased in size extended more cranially than those that remained unchanged: 7.3 mm (4.2-15.9) versus 3.1 mm (2.7-3.7; p = 0.0038). Receiver operating characteristic analysis established a threshold of 3.8 mm (filling defect length), sensitivity of 88 %, specificity of 86 %, and area under the curve of 0.86 (p < 0.0001) for distinguishing FFT from plaque. Filling defects in the proximal ICA extending cranially >3.8 mm were more likely to be FFT than complex ulcerated plaque. Further studies evaluating filling defect length as a predictor for FFT are warranted. (orig.)

Electrochemical transformations of oxygen and the defect structure of solid solutions on the basis of alkaline earth metal ortho-vanadates

International Nuclear Information System (INIS)

Khodos, M.Ya.; Belysheva, G.M.; Brajnina, Kh.Z.

1986-01-01

Effect of iso- and heterovalent substitution in the structure of alkaline earth metal ortho-vanadates and synthesis conditions, simulating the definite type of their crystal lattice disordering, on the character of potentiodynamic anodic-cathodic curves has been investigated by the method of cyclic voltammetry. Correlation between signals observed and the defect structure of oxide compounds is refined. Oxygen chemisorption is shown to be determined by concentration of nonequilibrium oxygen vacancies, which formation is accompanied by appearance of quasi-free electrons

A novel route for placing free flap pedicle from a palatal defect

Directory of Open Access Journals (Sweden)

Rajeev B Ahuja

2014-01-01

Full Text Available One of the better options available to repair a large palatal defect is by employing a free flap. Almost all the times such free flaps are plumbed to facial vessels. The greatest challenge in such cases is the placement of the pedicle from palatal shelf to recipient vessels because there is no direct route available. As majority of large palatal fistulae are encountered in operated cleft palates there is a possibility of routing the pedicle through a cleft in the maxillary arch or via pyriform aperture. When such a possibility doesn′t exist the pedicle is routed behind the maxillary arch. We describe a novel technique of pedicle placement through a maxillary antrostomy, in this case report, where a large palatal fistula in a 16 year old boy was repaired employing a free radial artery forearm flap. The direct route provided by maxillary antrostomy is considered the most expeditious of all possibilities mentioned above.

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

Free energy landscape of dissociative adsorption of methane on ideal and defected graphene from ab initio simulations

Science.gov (United States)

Wlazło, M.; Majewski, J. A.

2018-03-01

We study the dissociative adsorption of methane at the surface of graphene. Free energy profiles, which include activation energies for different steps of the reaction, are computed from constrained ab initio molecular dynamics. At 300 K, the reaction barriers are much lower than experimental bond dissociation energies of gaseous methane, strongly indicating that the graphene surface acts as a catalyst of methane decomposition. On the other hand, the barriers are still much higher than on the nickel surface. Methane dissociation therefore occurs at a higher rate on nickel than on graphene. This reaction is a prerequisite for graphene growth from a precursor gas. Thus, the growth of the first monolayer should be a fast and efficient process while subsequent layers grow at a diminished rate and in a more controllable manner. Defects may also influence reaction energetics. This is evident from our results, in which simple defects (Stone-Wales defect and nitrogen substitution) lead to different free energy landscapes at both dissociation and adsorption steps of the process.

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.

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

Advanced Structures and Compositions for 3D Forming of Cellulosic Fibers

OpenAIRE

Khakalo, Alexey

2017-01-01

The objective of this thesis was to systematically investigate strategies to endow fiber-based materials with toughness and formability. Bio-based polymers and green treatments were applied to develop 3D packaging structures. Formability, the material's ability for three-dimensional shaping, was achieved by plastic deformations in paper structures that were defect-free in terms of appearance and functionality. A set of methods to improve paper toughness was explored, including: (a) combined m...

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.

Expeditious low-temperature sintering of copper nanoparticles with thin defective carbon shells

Science.gov (United States)

Kim, Changkyu; Lee, Gyoungja; Rhee, Changkyu; Lee, Minku

2015-04-01

The realization of air-stable nanoparticles, well-formulated nanoinks, and conductive patterns based on copper is a great challenge in low-cost and large-area flexible printed electronics. This work reports the synthesis of a conductively interconnected copper structure via thermal sintering of copper inks at a low temperature for a short period of time, with the help of thin defective carbon shells coated onto the copper nanoparticles. Air-stable copper/carbon core/shell nanoparticles (typical size ~23 nm, shell thickness ~1.0 nm) are prepared by means of an electric explosion of wires. Gaseous oxidation of the carbon shells with a defective structure occurs at 180 °C, impacting the choice of organic solvents as well as the sintering conditions to create a crucial neck formation. Isothermal oxidation and reduction treatment at 200 °C for only about 10 min yields an oxide-free copper network structure with an electrical resistivity of 25.1 μΩ cm (14.0 μΩ cm at 250 °C). Finally, conductive copper line patterns are achieved down to a 50 μm width with an excellent printing resolution (standard deviation ~4.0%) onto a polyimide substrate using screen printing of the optimized inks.The realization of air-stable nanoparticles, well-formulated nanoinks, and conductive patterns based on copper is a great challenge in low-cost and large-area flexible printed electronics. This work reports the synthesis of a conductively interconnected copper structure via thermal sintering of copper inks at a low temperature for a short period of time, with the help of thin defective carbon shells coated onto the copper nanoparticles. Air-stable copper/carbon core/shell nanoparticles (typical size ~23 nm, shell thickness ~1.0 nm) are prepared by means of an electric explosion of wires. Gaseous oxidation of the carbon shells with a defective structure occurs at 180 °C, impacting the choice of organic solvents as well as the sintering conditions to create a crucial neck formation

Chimeric superficial temporal artery based skin and temporal fascia flap plus temporalis muscle flap - An alternative to free flap for suprastructure maxillectomy with external skin defect

Directory of Open Access Journals (Sweden)

Dushyant Jaiswal

2011-01-01

Full Text Available Flaps from temporal region have been used for mid face, orbital and peri-orbital reconstruction. The knowledge of the vascular anatomy of the region helps to dissect and harvest the muscle/fascia/skin/combined tissue flaps from that region depending upon the requirement. Suprastructure maxillectomy defects are usually covered with free flaps to fill the cavity. Here we report an innovative idea in which a patient with a supra structure maxillectomy with external skin defect was covered with chimeric flap based on the parietal and frontal branches of superficial temporal artery and the temporalis muscle flap based on deep temporal artery.

Acyclic Diene Metathesis (ADMET Polymerization for Precise Synthesis of Defect-Free Conjugated Polymers with Well-Defined Chain Ends

Directory of Open Access Journals (Sweden)

Tahmina Haque

2015-03-01

Full Text Available This accounts introduces unique characteristics by adopting the acyclic diene metathesis (ADMET polymerization for synthesis of conjugated polymers, poly(arylene vinylenes, known as promising molecular electronics. The method is more suitable than the other methods in terms of atom efficiency affording defect-free, stereo-regular (exclusive trans polymers with well-defined chain ends; the resultant polymers possess better property than those prepared by the conventional methods. The chain ends (vinyl group in the resultant polymer prepared by ruthenium-carbene catalyst(s can be modified by treating with molybdenum-alkylidene complex (olefin metathesis followed by addition of various aldehyde (Wittig type cleavage, affording the end-functionalized polymers exclusively. An introduction of initiating fragment, the other conjugated segment, and one-pot synthesis of end-functionalized block copolymers, star shape polymers can be achieved by adopting this methodology.

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.

Perforator chimerism for the reconstruction of complex defects: A new chimeric free flap classification system.

Science.gov (United States)

Kim, Jeong Tae; Kim, Youn Hwan; Ghanem, Ali M

2015-11-01

Complex defects present structural and functional challenges to reconstructive surgeons. When compared to multiple free flaps or staged reconstruction, the use of chimeric flaps to reconstruct such defects have many advantages such as reduced number of operative procedures and donor site morbidity as well as preservation of recipient vessels. With increased popularity of perforator flaps, chimeric flaps' harvest and design has benefited from 'perforator concept' towards more versatile and better reconstruction solutions. This article discusses perforator based chimeric flaps and presents a practice based classification system that incorporates the perforator flap concept into "Perforator Chimerism". The authors analyzed a variety of chimeric patterns used in 31 consecutive cases to present illustrative case series and their new classification system. Accordingly, chimeric flaps are classified into four types. Type I: Classical Chimerism, Type II: Anastomotic Chimerism, Type III: Perforator Chimerism and Type IV Mixed Chimerism. Types I on specific source vessel anatomy whilst Type II requires microvascular anastomosis to create the chimeric reconstructive solution. Type III chimeric flaps utilizes the perforator concept to raise two components of tissues without microvascular anastomosis between them. Type IV chimeric flaps are mixed type flaps comprising any combination of Types I to III. Incorporation of the perforator concept in planning and designing chimeric flaps has allowed safe, effective and aesthetically superior reconstruction of complex defects. The new classification system aids reconstructive surgeons and trainees to understand chimeric flaps design, facilitating effective incorporation of this important reconstructive technique into the armamentarium of the reconstruction toolbox. Copyright © 2015 British Association of Plastic, Reconstructive and Aesthetic Surgeons. Published by Elsevier Ltd. All rights reserved.

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.

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

Device Performance and Reliability Improvements of AlGaN/GaN/Si MOSFET Using Defect-Free Gate Recess and Laser Annealing

Science.gov (United States)

2015-02-15

of AlGaN/GaN/Si MOSFET Using Defect-Free Gate Recess and Laser Annealing 5a. CONTRACT NUMBER FA2386-11-1-4077 5b. GRANT NUMBER Grant AOARD...MOSFET Using Defect-Free Gate Recess and Laser Annealing ”. Under the USAF-Taiwan research program, the partner institution was National Chiao Tung...CHAPTER 1: In Situ Atomic Layer Deposition Half Cycle Study of Al2O3 Growth on AlGaN/GaN - Initial and wet chemical treated AlGaN surfaces were

Ultra-selective defect-free interfacially polymerized molecular sieve thin-film composite membranes for H2 purification

KAUST Repository

Ali, Zain; Pacheco Oreamuno, Federico; Litwiller, Eric; Wang, Yingge; Han, Yu; Pinnau, Ingo

2017-01-01

method for reverse osmosis membranes. Defect-free thin-film composite membranes were formed demonstrating unprecedented mixed-gas H2/CO2 selectivity of ≈ 50 at 140 °C with H2 permeance of 350 GPU, surpassing the permeance/selectivity upper bound of all

Structural optimization of free-form reciprocal structures

DEFF Research Database (Denmark)

Parigi, Dario

2014-01-01

This paper presents an optimization algorithm for the design of structurally efficient free-form reciprocal structures. Because of the geometric complexity of reciprocal structures, only a few structural studies have been carried out so far, and we have a limited knowledge of the relation between...

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

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.

The free vascularized flap and the flap plate options: comparative results of reconstruction of lateral mandibular defects

NARCIS (Netherlands)

Shpitzer, T.; Gullane, P. J.; Neligan, P. C.; Irish, J. C.; Freeman, J. E.; van den Brekel, M.; Gur, E.

2000-01-01

OBJECTIVES/HYPOTHESIS: Reconstruction of the mandible and oral cavity after segmental resection is a challenging surgical problem. Although osteocutaneous free flaps are generally accepted to be optimal for reconstruction of anterior defects, the need for bony reconstruction for a pure lateral

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...

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)

Implications of defect clusters formed in cascades on free defect generation and microstructural development

International Nuclear Information System (INIS)

Wiedersich, H.

1992-12-01

A large fraction of the defects produced by irradiation with energetic neutrons or heavy ions originates in cascades. Not only increased recombination of vacancy and interstitial defects but also significant clustering of like defects occur. Both processes reduce the number of point defects available for long range migration. Consequences of defect clustering in cascades will be discussed in a semi-quantitative form with the aid of calculations using a very simplified model: Quasi-steady-state distributions of immobile vacancy and/or interstitial clusters develop which, in turn, can become significant sinks for mobile defects, and, therefore reduce their lifetime. Although cluster sinks will cause segregation and, potentially, precipitation of second phases due to local changes of composition, the finite lifetime of clusters will not lead to lasting, local compositional changes. A transition from highly dense interstitial and vacancy cluster distributions to the void swelling regime occurs when the thermal evaporation of vacancies from small vacancy clusters becomes significant at higher temperatures. Unequal clustering of vacancies and interstitials leads to an imbalance of their fluxes of in the matrix and, hence, to unequal contributions to atom transport by interstitials and by vacancies even in the quasi-steady state approximation

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.

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.

Scapular tip and latissimus dorsi osteomyogenous free flap for the reconstruction of a maxillectomy defect: A minimally invasive transaxillary approach.

Science.gov (United States)

Park, Sung Joon; Jeong, Woo-Jin; Ahn, Soon-Hyun

2017-11-01

The purpose of this study was to propose a novel, minimally invasive transaxillary approach for harvesting the scapular tip and latissimus dorsi osteomyogenous free flap for the reconstruction of a maxillectomy defect. A retrospective case series study of 4 patients who underwent reconstruction using a scapular tip composite free flap through the transaxillary approach was conducted. The data (age, sex, pathology, previous treatment and adjuvant treatment) were collected and analysed. Total operation time, number of hospital days and the cosmetic and functional outcome of reconstruction were analysed. Two male and two female patients were enrolled in this study. The patients' ages ranged from 52 to 59 years. All the patients had maxillectomy defects, with at least a classification of Okay type II, which were successfully reconstructed using a scapular tip and latissimus dorsi free flap through a minimally invasive transaxillary approach. The entire operation time for the primary tumour surgery and reconstruction ranged from 6.2 to 12.1 h (mean, 11.1 h). The average length of the hospital stay was 13 days (range, 10-16 days). No major donor site morbidity was observed, and there was no graft failure that required revision or exploration surgery. The minimally invasive transaxillary approach for harvesting the scapular tip and latissimus dorsi osteomyogenous free flap for the reconstruction of maxillectomy defect is a promising approach for more favourable functional and aesthetic outcomes when compared to the use of other bone containing free flaps and the classic approach for harvesting scapular tip and latissimus dorsi free flap. Copyright © 2017 British Association of Plastic, Reconstructive and Aesthetic Surgeons. Published by Elsevier Ltd. All rights reserved.

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.

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

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.

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)

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)

Probing atomic-size defects and free volumes with positron and positronium

International Nuclear Information System (INIS)

Dolveck, J.Y.; Moser, P.; Guo-Huan Dai

1992-01-01

The lifetime measurement of positrons injected in a metal allows to investigate defects of atomic dimension. Many crucial problems in metallurgy have found their solutions by the positron annihilation (PA) techniques for about three decades. Application to semiconductors research has been developed in recent years. Specific theory and analysing method can be used in the studies of the free-volume hole in polymers, the size of the empty spaces being between 0.3 and 1.5 nanometers. In many insulating materials, the diffusing positron can trap an electron and form a metastable positronium (Ps). Like a gas bubble, the Ps atom may diffuse and get trapped by the free-volume hole. When this mechanism is governing, lifetimes over the range of 1-10 ns are well observable and a correspondence exists between the positronium lifetime and minimum diameter of the trapping open space. Example of application is given in a study of polyimide membranes used for gas separation. A good correlation is revealed between the Ps lifetime and H 2 and/or CH 4 permeabilities. Recent progress in polymers research is also reviewed

Acid-free co-operative self-assembly of graphene-ZnO nanocomposites and its defect mediated visible light photocatalytic activities

Science.gov (United States)

Parameshwari, R.; Jothivenkatachalam, K.; Banks, Craig E.; Jeganathan, K.

2017-02-01

We propose an acid-free and environmental friendly surfactant based approach to anchor zinc oxide (ZnO) nanoparticles on graphene. Herein, liquid-phase exfoliated graphene in water by ultrasonic waves has been used to prepare graphene-ZnO (G-ZnO) nanocomposites that circumvent the use of various toxic acids and chemicals which are generally used in the preparation of graphene-based nanocomposites. Oxygen vacancy related defect peaks observed by Raman and photoluminescence confirm the formation of C-O-Zn bond due to the synergistic interaction of carbon and zinc via oxygen atoms in G-ZnO nanocomposites. The enhanced photocatalytic behavior of G-ZnO under visible light as evaluated using the dye Rhodamine B holds its genesis from the intrinsic oxygen defects in G-ZnO. Furthermore, graphene acts as electron sink for accumulation of charges from defect levels of ZnO, which controls recombination of charge carriers. It is envisaged that the acid-free and facile strategy can be a potential route for the preparation of graphene-based hybrid materials using liquid-phase exfoliation methodology.

Acid-free co-operative self-assembly of graphene-ZnO nanocomposites and its defect mediated visible light photocatalytic activities

Energy Technology Data Exchange (ETDEWEB)

Parameshwari, R. [Centre for Nanoscience and Nanotechnology, School of Physics, Bharathidasan University, Tiruchirappalli 620024, Tamil Nadu (India); Jothivenkatachalam, K. [Department of Chemistry, Anna University, Tiruchirappalli 620024, Tamil Nadu (India); Banks, Craig E. [Faculty of Science and Engineering, Manchester Metropolitan University, Chester Street, Manchester M1 5GD (United Kingdom); Jeganathan, K., E-mail: kjeganathan@yahoo.com [Centre for Nanoscience and Nanotechnology, School of Physics, Bharathidasan University, Tiruchirappalli 620024, Tamil Nadu (India)

2017-02-01

We propose an acid-free and environmental friendly surfactant based approach to anchor zinc oxide (ZnO) nanoparticles on graphene. Herein, liquid-phase exfoliated graphene in water by ultrasonic waves has been used to prepare graphene-ZnO (G-ZnO) nanocomposites that circumvent the use of various toxic acids and chemicals which are generally used in the preparation of graphene-based nanocomposites. Oxygen vacancy related defect peaks observed by Raman and photoluminescence confirm the formation of C–O–Zn bond due to the synergistic interaction of carbon and zinc via oxygen atoms in G-ZnO nanocomposites. The enhanced photocatalytic behavior of G-ZnO under visible light as evaluated using the dye Rhodamine B holds its genesis from the intrinsic oxygen defects in G-ZnO. Furthermore, graphene acts as electron sink for accumulation of charges from defect levels of ZnO, which controls recombination of charge carriers. It is envisaged that the acid-free and facile strategy can be a potential route for the preparation of graphene-based hybrid materials using liquid-phase exfoliation methodology.

Transmission electron microscope study of neutron irradiation-induced defects in silicon

International Nuclear Information System (INIS)

Oshima, Ryuichiro; Kawano, Tetsuya; Fujimoto, Ryoji

1994-01-01

Commercial Czochralski-grown silicon (Cz-Si) and float-zone silicon (Fz-Si) wafers were irradiated with fission neutrons at various fluences from 10 19 to 10 22 n/cm 2 at temperatures ranging from 473 K to 1043 K. The irradiation induced defect structures were examined by transmission electron microscopy and ultra high voltage electron microscopy, which were compared with Marlowe code computer simulation results. It was concluded that the vacancy-type damage structure formed at 473 K were initiated from collapse of vacancy-rich regions of cascades, while interstitial type defect clusters formed by irradiation above 673 K were associated with interstitial oxygen atoms and free interstitials which diffused out of the cascades. Complex defect structures were identified to consist of {113} and {111} planar faults by the parallel beam illumination diffraction analysis. (author)

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

Probing vacancy-type free-volume defects in Li2B4O7 single crystal by positron annihilation lifetime spectroscopy

Science.gov (United States)

Shpotyuk, O.; Adamiv, V.; Teslyuk, I.; Ingram, A.; Demchenko, P.

2018-01-01

Vacancy-type free-volume defects in lithium tetraborate Li2B4O7 single crystal, grown by the Czochralski technique, are probed with positron annihilation spectroscopy in the lifetime measuring mode. The experimental positron lifetime spectrum is reconstructed within the three-component fitting, involving channels of positron and positronium Ps trapping, as well as within the two-component fitting with a positronium-compensating source input. Structural configurations of the most efficient positron traps are considered using the crystallographic specificity of lithium tetraborate with the main accent on cation-type vacancies. Possible channels of positron trapping are visualized using the electronic structure calculations with density functional theory at the basis of structural parameters proper to Li2B4O7. Spatially-extended positron-trapping complexes involving singly-ionized lithium vacancies, with character lifetime close to 0.32 ns, are responsible for positron trapping in the nominally undoped lithium tetraborate Li2B4O7 crystal.

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.

Possibility of management of lower leg war burns with free flaps

Directory of Open Access Journals (Sweden)

Panajotović Ljubomir

2003-01-01

Full Text Available Free flaps are used in the surgical treatment of burns for wound closure where the burn is too deep, and in case, when after necrotic tissue excision, the bones, tendons, nerves, and blood vessels remain bare. Covering of the exposed structures is commonly performed in the primary delayed, or in the secondary wound treatment. The possibilities of covering the defects of the lower leg with local flaps are limited. Free flaps are used when all the possibilities of the other reconstructive procedures have been exhausted. The defect of the soft tissue of the lower leg was covered with free flaps in the injured soldiers with deep burns, treated at the Clinic for Plastic Surgery and Burns, Military Medical Academy, Belgrade. In one patient the wound closing was performed immediately after excision of necrotic tissues, and in the other two in the secondary management. The application of free microvascular flaps enabled the closure of large post excision defects of the lower leg in one operation. Our experience in the treatment of these soldiers point to the possibility of coverage of the exposed deep structures with free flaps as early as possible.

The prisoner's dilemma in structured scale-free networks

International Nuclear Information System (INIS)

Li Xing; Wu Yonghui; Zhang Zhongzhi; Zhou Shuigeng; Rong Zhihai

2009-01-01

The conventional wisdom is that scale-free networks are prone to cooperation spreading. In this paper we investigate the cooperative behavior on the structured scale-free network. In contrast to the conventional wisdom that scale-free networks are prone to cooperation spreading, the evolution of cooperation is inhibited on the structured scale-free network when the prisoner's dilemma (PD) game is modeled. First, we demonstrate that neither the scale-free property nor the high clustering coefficient is responsible for the inhibition of cooperation spreading on the structured scale-free network. Then we provide one heuristic method to argue that the lack of age correlations and its associated 'large-world' behavior in the structured scale-free network inhibit the spread of cooperation. These findings may help enlighten further studies on the evolutionary dynamics of the PD game in scale-free networks

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

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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.

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.

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.

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

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.

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

Cost-Sensitive Radial Basis Function Neural Network Classifier for Software Defect Prediction.

Science.gov (United States)

Kumudha, P; Venkatesan, R

Effective prediction of software modules, those that are prone to defects, will enable software developers to achieve efficient allocation of resources and to concentrate on quality assurance activities. The process of software development life cycle basically includes design, analysis, implementation, testing, and release phases. Generally, software testing is a critical task in the software development process wherein it is to save time and budget by detecting defects at the earliest and deliver a product without defects to the customers. This testing phase should be carefully operated in an effective manner to release a defect-free (bug-free) software product to the customers. In order to improve the software testing process, fault prediction methods identify the software parts that are more noted to be defect-prone. This paper proposes a prediction approach based on conventional radial basis function neural network (RBFNN) and the novel adaptive dimensional biogeography based optimization (ADBBO) model. The developed ADBBO based RBFNN model is tested with five publicly available datasets from the NASA data program repository. The computed results prove the effectiveness of the proposed ADBBO-RBFNN classifier approach with respect to the considered metrics in comparison with that of the early predictors available in the literature for the same datasets.

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

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.

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

3D Volumetric Modeling and Microvascular Reconstruction of Irradiated Lumbosacral Defects After Oncologic Resection

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Emilio Garcia-Tutor

2016-12-01

Full Text Available Background: Locoregional flaps are sufficient in most sacral reconstructions. However, large sacral defects due to malignancy necessitate a different reconstructive approach, with local flaps compromised by radiation and regional flaps inadequate for broad surface areas or substantial volume obliteration. In this report, we present our experience using free muscle transfer for volumetric reconstruction in such cases, and demonstrate 3D haptic models of the sacral defect to aid preoperative planning.Methods: Five consecutive patients with irradiated sacral defects secondary to oncologic resections were included, surface area ranging from 143-600cm2. Latissimus dorsi-based free flap sacral reconstruction was performed in each case, between 2005 and 2011. Where the superior gluteal artery was compromised, the subcostal artery was used as a recipient vessel. Microvascular technique, complications and outcomes are reported. The use of volumetric analysis and 3D printing is also demonstrated, with imaging data converted to 3D images suitable for 3D printing with Osirix software (Pixmeo, Geneva, Switzerland. An office-based, desktop 3D printer was used to print 3D models of sacral defects, used to demonstrate surface area and contour and produce a volumetric print of the dead space needed for flap obliteration. Results: The clinical series of latissimus dorsi free flap reconstructions is presented, with successful transfer in all cases, and adequate soft-tissue cover and volume obliteration achieved. The original use of the subcostal artery as a recipient vessel was successfully achieved. All wounds healed uneventfully. 3D printing is also demonstrated as a useful tool for 3D evaluation of volume and dead-space.Conclusion: Free flaps offer unique benefits in sacral reconstruction where local tissue is compromised by irradiation and tumor recurrence, and dead-space requires accurate volumetric reconstruction. We describe for the first time the use of

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)

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

RECONSTRUCTION OF POST ELECTRIC BURN DEFECTS OF UPPER LIMB WITH DIFFERENT FLAPS

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Satyajit

2015-08-01

Full Text Available INTRODUCTION: P ost electric burn defects are difficult to manage due to deep injury involving all the structures up to bony level. A good vascularized flap is required to resurface the defect for preventing the complication and for reconstruction of involved structures. AIM: Resurfacing the post electric burn defect with different flaps according to need of the defect. MATERIAL AND METHOD: All patients of electric burn hand and fore arm defect admitted to burn, p lastic and reconstructi ve department of SCB Medical College &hospital, Cuttack between January 2012 to December 2012 were included in the study. During this period the patients were followed up at weekly interval for first 2 month, then at 1 monthly interv al for next 6 - 8 month. OBSERVATION: Out of 40 cases of post electric burn forearm and hand reconstruction, 10 cases underwent groin flap cover, 6 cases underwent abdominal flap cover, 5 cases underwent cross finger flap cover 5 cases underwent free antero lateral thigh flap cover, 4 cases underwent free latissimus dorsi flap cover, 5 cases underwent first dorsal metacarpal artery flap cover, 5 cases reverse radial forearm flap cover. All the defects were resurfaced successfully with flaps. Four had marginal necrosis and six had wound infection. Eventually all flaps settled well without further intervention. Due to involvement of all important tendons & nerves, functional outcome is guarded. DISCUSSION: Hand and forearm are most commonly and most severely aff ected in electric burn injury because they are mostly first part of body to come in contact with electric circuit. Even though at initial part the injury appears to be superficial, deepe r structures like bone, tendon and neurovascular bundles are affected requiring flap cover for future reconstruction of these structures to get functional and sensate hand. CONCLUSION: Reconstruction of post electric burn defect of distal forearm and hand represents great challenge due to

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

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.

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.

Defect-Free Large-Area (25 cm2 Light Absorbing Perovskite Thin Films Made by Spray Coating

Directory of Open Access Journals (Sweden)

Mehran Habibi

2017-03-01

Full Text Available In this work, we report on reproducible fabrication of defect-free large-area mixed halide perovskite (CH3NH3PbI3−xClx thin films by scalable spray coating with the area of 25 cm2. This is essential for the commercialization of the perovskite solar cell technology. Using an automated spray coater, the film thickness and roughness were optimized by controlling the solution concentration and substrate temperature. For the first time, the surface tension, contact angle, and viscosity of mixed halide perovskite dissolved in dimethylformamide (DMF are reported as a function of the solution concentration. A low perovskite solution concentration of 10% was selected as an acceptable value to avoid crystallization dewetting. The determined optimum substrate temperature of 150 °C, followed by annealing at 100 °C render the highest perovskite precursor conversion, as well as the highest possible droplet spreading, desired to achieve a continuous thin film. The number of spray passes was also tuned to achieve a fully-covered film, for the condition of the spray nozzle used in this work. This work demonstrates that applying the optimum substrate temperature decreases the standard deviation of the film thickness and roughness, leading to an increase in the quality and reproducibility of the large-area spray-on films. The optimum perovskite solution concentration and the substrate temperature are universally applicable to other spray coating systems.

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)

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)

Constrained structural dynamic model verification using free vehicle suspension testing methods

Science.gov (United States)

Blair, Mark A.; Vadlamudi, Nagarjuna

1988-01-01

Verification of the validity of a spacecraft's structural dynamic math model used in computing ascent (or in the case of the STS, ascent and landing) loads is mandatory. This verification process requires that tests be carried out on both the payload and the math model such that the ensuing correlation may validate the flight loads calculations. To properly achieve this goal, the tests should be performed with the payload in the launch constraint (i.e., held fixed at only the payload-booster interface DOFs). The practical achievement of this set of boundary conditions is quite difficult, especially with larger payloads, such as the 12-ton Hubble Space Telescope. The development of equations in the paper will show that by exciting the payload at its booster interface while it is suspended in the 'free-free' state, a set of transfer functions can be produced that will have minima that are directly related to the fundamental modes of the payload when it is constrained in its launch configuration.

Determination of the structure of γ-alumina from interatomic potential and first-principles calculations: The requirement of significant numbers of nonspinel positions to achieve an accurate structural model

International Nuclear Information System (INIS)

Paglia, Gianluca; Rohl, Andrew L.; Gale, Julian D.; Buckley, Craig E.

2005-01-01

We have performed an extensive computational study of γ-Al 2 O 3 , beginning with the geometric analysis of approximately 1.47 billion spinel-based structural candidates, followed by derivative method energy minimization calculations of approximately 122 000 structures. Optimization of the spinel-based structural models demonstrated that structures exhibiting nonspinel site occupancy after simulation were more energetically favorable, as suggested in other computational studies. More importantly, none of the spinel structures exhibited simulated diffraction patterns that were characteristic of γ-Al 2 O 3 . This suggests that cations of γ-Al 2 O 3 are not exclusively held in spinel positions, that the spinel model of γ-Al 2 O 3 does not accurately reflect its structure, and that a representative structure cannot be achieved from molecular modeling when the spinel representation is used as the starting structure. The latter two of these three findings are extremely important when trying to accurately model the structure. A second set of starting models were generated with a large number of cations occupying c symmetry positions, based on the findings from recent experiments. Optimization of the new c symmetry-based structural models resulted in simulated diffraction patterns that were characteristic of γ-Al 2 O 3 . The modeling, conducted using supercells, yields a more accurate and complete determination of the defect structure of γ-Al 2 O 3 than can be achieved with current experimental techniques. The results show that on average over 40% of the cations in the structure occupy nonspinel positions, and approximately two-thirds of these occupy c symmetry positions. The structures exhibit variable occupancy in the site positions that follow local symmetry exclusion rules. This variation was predominantly represented by a migration of cations away from a symmetry positions to other tetrahedral site positions during optimization which were found not to affect the

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.

What can the food and drink industry do to help achieve the 5% free sugars goal?

Science.gov (United States)

Gibson, Sigrid; Ashwell, Margaret; Arthur, Jenny; Bagley, Lindsey; Lennox, Alison; Rogers, Peter J; Stanner, Sara

2017-07-01

To contribute evidence and make recommendations to assist in achieving free sugars reduction, with due consideration to the broader picture of weight management and dietary quality. An expert workshop in July 2016 addressed options outlined in the Public Health England report 'Sugar reduction: The evidence for action' that related directly to the food industry. Panel members contributed expertise in food technology, public heath nutrition, marketing, communications, psychology and behaviour. Recommendations were directed towards reformulation, reduced portion sizes, labelling and consumer education. These were evaluated based on their feasibility, likely consumer acceptability, efficacy and cost. The panel agreed that the 5% target for energy from free sugars is unlikely to be achievable by the UK population in the near future, but a gradual reduction from average current level of intake is feasible. Progress requires collaborations between government, food industry, non-government organisations, health professionals, educators and consumers. Reformulation should start with the main contributors of free sugars in the diet, prioritising those products high in free sugars and relatively low in micronutrients. There is most potential for replacing free sugars in beverages using high-potency sweeteners and possibly via gradual reduction in sweetness levels. However, reformulation alone, with its inherent practical difficulties, will not achieve the desired reduction in free sugars. Food manufacturers and the out-of-home sector can help consumers by providing smaller portions. Labelling of free sugars would extend choice and encourage reformulation; however, government needs to assist industry by addressing current analytical and regulatory problems. There are also opportunities for multi-agency collaboration to develop tools/communications based on the Eatwell Guide, to help consumers understand the principles of a varied, healthy, balanced diet. Multiple strategies

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.

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

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

Optical coherence tomography use in the diagnosis of enamel defects

Science.gov (United States)

Al-Azri, Khalifa; Melita, Lucia N.; Strange, Adam P.; Festy, Frederic; Al-Jawad, Maisoon; Cook, Richard; Parekh, Susan; Bozec, Laurent

2016-03-01

Molar incisor hypomineralization (MIH) affects the permanent incisors and molars, whose undermineralized matrix is evidenced by lesions ranging from white to yellow/brown opacities to crumbling enamel lesions incapable of withstanding normal occlusal forces and function. Diagnosing the condition involves clinical and radiographic examination of these teeth, with known limitations in determining the depth extent of the enamel defects in particular. Optical coherence tomography (OCT) is an emerging hard and soft tissue imaging technique, which was investigated as a new potential diagnostic method in dentistry. A comparison between the diagnostic potential of the conventional methods and OCT was conducted. Compared to conventional imaging methods, OCT gave more information on the structure of the enamel defects as well as the depth extent of the defects into the enamel structure. Different types of enamel defects were compared, each type presenting a unique identifiable pattern when imaged using OCT. Additionally, advanced methods of OCT image analysis including backscattered light intensity profile analysis and enface reconstruction were performed. Both methods confirmed the potential of OCT in enamel defects diagnosis. In conclusion, OCT imaging enabled the identification of the type of enamel defect and the determination of the extent of the enamel defects in MIH with the advantage of being a radiation free diagnostic technique.

Prosthetic Rehabilitation After Fibular Free Flap Surgery of Mandibular Defects in a Patient With Oral Squamous Cell Carcinoma.

Science.gov (United States)

Yoon, Hyung-In

2016-10-01

This report is to present the treatment procedure and clinical considerations of prosthodontic management of a patient who had undergone a partial mandibulectomy and fibular free flap surgery. A 59-year-old man with a squamous cell carcinoma received a partial mandibular resection. Microsurgical reconstruction with a fibular free flap surgery and implant-supported zirconia-fixed prosthesis produced by computer-aided manufacturing led to successful results for the oral rehabilitation of mandibular defects. The implant-supported zirconia-fixed prosthesis can be recommended for use in patients with mandibulectomy and fibular free flaps. Close cooperation between the surgeon and the prosthodontist is mandatory for the satisfaction of the patient.

MACRO DEFECT FREE MATERIALS; THE CHALLENGE OF MECHANOCHEMICAL ACTIVATION

Directory of Open Access Journals (Sweden)

MILAN DRÁBIK

2012-12-01

Full Text Available Macro-defect-free (MDF materials belong, according to Odler’s categorisation, to the type of materials where polymers may be successfully combined with cements and water to produce also the parameters of technological novelty and interests. A challenge, which has not been followed or indicated by now, is the option to intensify mixing of dry cement and polymer. The mechanochemical pre-reactions of dry MDF raw mixes consisting of Portland cement and polyphosphate, together with the model of atomic-level interpretations of the formed functional interfaces are proposed, experimentally tested and discussed in the present paper. The results ultimately show the activation of studied system due to the mechanochemical treatment, which consists in the initiation and measurable formation of Al(Fe–O–P cross-links already in the treated raw mixes. The mechanochemical activation of raw mixes in the high energy planetary mill for the duration of 5 minutes is proposed as the specific mixing and activation / pre-reaction step within the entire MDF synthesis procedure.

Synergistic Interlayer and Defect Engineering in VS2 Nanosheets toward Efficient Electrocatalytic Hydrogen Evolution Reaction

KAUST Repository

Zhang, Junjun

2017-12-27

A simple one-pot solvothermal method is reported to synthesize VS2 nanosheets featuring rich defects and an expanded (001) interlayer spacing as large as 1.00 nm, which is a ≈74% expansion as relative to that (0.575 nm) of the pristine counterpart. The interlayer-expanded VS2 nanosheets show extraordinary kinetic metrics for electrocatalytic hydrogen evolution reaction (HER), exhibiting a low overpotential of 43 mV at a geometric current density of 10 mA cm-2 , a small Tafel slope of 36 mV dec-1 , and long-term stability of 60 h without any current fading. The performance is much better than that of the pristine VS2 with a normal interlayer spacing, and even comparable to that of the commercial Pt/C electrocatalyst. The outstanding electrocatalytic activity is attributed to the expanded interlayer distance and the generated rich defects. Increased numbers of exposed active sites and modified electronic structures are achieved, resulting in an optimal free energy of hydrogen adsorption (∆GH ) from density functional theory calculations. This work opens up a new door for developing transition-metal dichalcogenide nanosheets as high active HER electrocatalysts by interlayer and defect engineering.

Synergistic Interlayer and Defect Engineering in VS2 Nanosheets toward Efficient Electrocatalytic Hydrogen Evolution Reaction

KAUST Repository

Zhang, Junjun; Zhang, Chenhui; Wang, Zhenyu; Zhu, Jian; Wen, Zhiwei; Zhao, Xingzhong; Zhang, Xixiang; Xu, Jun; Lu, Zhouguang

2017-01-01

A simple one-pot solvothermal method is reported to synthesize VS2 nanosheets featuring rich defects and an expanded (001) interlayer spacing as large as 1.00 nm, which is a ≈74% expansion as relative to that (0.575 nm) of the pristine counterpart. The interlayer-expanded VS2 nanosheets show extraordinary kinetic metrics for electrocatalytic hydrogen evolution reaction (HER), exhibiting a low overpotential of 43 mV at a geometric current density of 10 mA cm-2 , a small Tafel slope of 36 mV dec-1 , and long-term stability of 60 h without any current fading. The performance is much better than that of the pristine VS2 with a normal interlayer spacing, and even comparable to that of the commercial Pt/C electrocatalyst. The outstanding electrocatalytic activity is attributed to the expanded interlayer distance and the generated rich defects. Increased numbers of exposed active sites and modified electronic structures are achieved, resulting in an optimal free energy of hydrogen adsorption (∆GH ) from density functional theory calculations. This work opens up a new door for developing transition-metal dichalcogenide nanosheets as high active HER electrocatalysts by interlayer and defect engineering.

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

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...

A highly-sensitive label-free biosensor based on two dimensional photonic crystals with negative refraction

Science.gov (United States)

Malmir, Narges; Fasihi, Kiazand

2017-11-01

In this work, we present a novel high-sensitive optical label-free biosensor based on a two-dimensional photonic crystal (2D PC). The suggested structure is composed of a negative refraction structure in a hexagonal lattice PC, along with a positive refraction structure which is arranged in a square lattice PC. The frequency shift of the transmission peak is measured respect to the changes of refractive indices of the studied materials (the blood plasma, water, dry air and normal air). The studied materials are filled into a W1 line-defect waveguide which is located in the PC structure with positive refraction (the microfluidic nanochannel). Our numerical simulations, which are based on finite-difference time-domain (FDTD) method, show that in the proposed structure, a sensitivity about 1100 nm/RIU and a transmission efficiency more than 75% can be achieved. With this design, to the best of our knowledge, the obtained sensitivity and the transmission efficiency are one of the highest values in the reported PC label-free biosensors.

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

Stability of Ptn cluster on free/defective graphene: A first-principles study

Science.gov (United States)

Yang, G. M.; Fan, X. F.; Shi, S.; Huang, H. H.; Zheng, W. T.

2017-01-01

With first-principles methods, we investigate the stability of isolated Ptn clusters from Sutton-Chen model and close-packed model, and their adsorption on defected graphene. The single-vacancy in graphene is found to enhance obviously the adsorption energy of Pt cluster on graphene due to the introduction of localized states near Fermi level. It is found that the close-packed model is more stable than Sutton-Chen model for the adsorption of Ptn cluster on single-vacancy graphene, except the magic number n = 13. The cluster Pt13 may be the richest one for small Pt clusters on defected graphene due to the strong adsorption on single-vacancy. The larger cluster adsorbed on defected graphene is predicted with the close-packed crystal structure. The charge is found to transfer from the Pt atom/cluster to graphene with the charge accumulation at the interface and the charge polarization on Pt cluster. The strong interaction between Pt cluster and single vacancy can anchor effectively the Pt nanoparticles on graphene and is also expected that the new states introduced near Fermi level can enhance the catalytic characteristic of Pt cluster.

Stability of Ptn cluster on free/defective graphene: A first-principles study

International Nuclear Information System (INIS)

Yang, G.M.; Fan, X.F.; Shi, S.; Huang, H.H.; Zheng, W.T.

2017-01-01

Highlights: • The single-vacancy can enhance obviously the adsorption of Pt cluster on graphene. • Pt clusters on defected graphene prefer to adopt the close-packed model, except Pt 13 . • The contact way of Pt n clusters on single-vacancy changes with the size increasing. - Abstract: With first-principles methods, we investigate the stability of isolated Pt n clusters from Sutton-Chen model and close-packed model, and their adsorption on defected graphene. The single-vacancy in graphene is found to enhance obviously the adsorption energy of Pt cluster on graphene due to the introduction of localized states near Fermi level. It is found that the close-packed model is more stable than Sutton-Chen model for the adsorption of Pt n cluster on single-vacancy graphene, except the magic number n = 13. The cluster Pt 13 may be the richest one for small Pt clusters on defected graphene due to the strong adsorption on single-vacancy. The larger cluster adsorbed on defected graphene is predicted with the close-packed crystal structure. The charge is found to transfer from the Pt atom/cluster to graphene with the charge accumulation at the interface and the charge polarization on Pt cluster. The strong interaction between Pt cluster and single vacancy can anchor effectively the Pt nanoparticles on graphene and is also expected that the new states introduced near Fermi level can enhance the catalytic characteristic of Pt cluster.

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.

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.

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

Reconstruction of large defects of the lips and commissure using a composite radial forearm palmaris longus free flap associated with a lengthening temporalis myoplasty.

Science.gov (United States)

Martin, Thomas; Sury, Florent; Goga, Dominique; Parmentier, Jerome; Rozen, Adam; Laure, Boris

2012-08-01

We performed a single-stage operation to reconstruct a large defect of the lips and commissure using a composite radial forearm-palmaris longus free flap. To obtain cranial traction and a voluntary smile, independently from any jaw movement, traction was achieved by using a lengthening temporalis myoplasty. The tendon attached to the coronoid process was fixed to the palmaris longus tendon, recreating a new commissure and a "neo-modiolus." Physical therapy was started on the 21st postoperative day to facilitate progress from a "mandibular smile," to ideally a spontaneous and symmetric smile after 3 months of therapy. This procedure was able to obtain good oral continence and a good commissural movement during smile which has not previously been mentioned in the published literature.

[The application of microvascular anastomotic coupler in vascular anastomosis of free tissue flap for reconstruction of defect after head and neck cancer resection].

Science.gov (United States)

Zhang, Y J; Wang, Z H; Li, C H; Chen, J

2017-09-07

Objective: To investigate the application and operation skills in vein anastomosis by microvascular anastomotic coupler (MAC) in reconstruction of defects after head and neck cancer resection. Methods: From August 2015 to July 2016, in Department of Head and Neck Surgery, Sichuan Cancer Hosipital, 17 cases underwent the reconstruction of defects after head and neck cancer resection with free tissue flaps, including forearm flaps in 11 casess, anterolateral flaps in 4 casess and fibula flaps in 2 casess. Totally 17 MAC were used, including 14 MAC for end-to-end anastomosis and 3 MAC for end-to-side anastomosis. SPSS 22.0 software was used to analyze the data. Results: Venous anastomoses in 17 free tissue flaps were successfully completed, with no anastomotic errhysis. All flaps survived well. The time required for vascular anastomoses with MAC varied 2-9 min, with average time of (4.2±2.3) min, which was significantly shorter than that with manually anastomosis (17.4 ± 2.7) min ( t =15.1, P anastomosis in free tissue flap for reconstruction of defect after head and neck cancer resection, which requires for less operation time and shows good results.

Explosive decomposition of a melamine-cyanuric acid supramolecular assembly for fabricating defect-rich nitrogen-doped carbon nanotubes with significantly promoted catalysis.

Science.gov (United States)

Zhao, Zhongkui; Dai, Yitao; Ge, Guifang; Wang, Guiru

2015-05-26

A facile and scalable approach for fabricating structural defect-rich nitrogen-doped carbon nanotubes (MCSA-CNTs) through explosive decomposition of melamine-cyanuric acid supramolecular assembly is presented. In comparison to pristine carbon nanotubes, MCSA-CNT exhibits significantly enhanced catalytic performance in oxidant- and steam-free direct dehydrogenation of ethylbenzene, demonstrating the potential for metal-free clean and energy-saving styrene production. This finding also opens a new horizon for preparing highly-efficient carbocatalysts rich in structural defect sites for diverse transformations. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Ultrasonic defect characterization using parametric-manifold mapping

Science.gov (United States)

Velichko, A.; Bai, L.; Drinkwater, B. W.

2017-06-01

The aim of ultrasonic non-destructive evaluation includes the detection and characterization of defects, and an understanding of the nature of defects is essential for the assessment of structural integrity in safety critical systems. In general, the defect characterization challenge involves an estimation of defect parameters from measured data. In this paper, we explore the extent to which defects can be characterized by their ultrasonic scattering behaviour. Given a number of ultrasonic measurements, we show that characterization information can be extracted by projecting the measurement onto a parametric manifold in principal component space. We show that this manifold represents the entirety of the characterization information available from far-field harmonic ultrasound. We seek to understand the nature of this information and hence provide definitive statements on the defect characterization performance that is, in principle, extractable from typical measurement scenarios. In experiments, the characterization problem of surface-breaking cracks and the more general problem of elliptical voids are studied, and a good agreement is achieved between the actual parameter values and the characterization results. The nature of the parametric manifold enables us to explain and quantify why some defects are relatively easy to characterize, whereas others are inherently challenging.

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

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.

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...

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...

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.

Achieving few-femtosecond time-sorting at hard X-ray free-electron lasers

Science.gov (United States)

Harmand, M.; Coffee, R.; Bionta, M. R.; Chollet, M.; French, D.; Zhu, D.; Fritz, D. M.; Lemke, H. T.; Medvedev, N.; Ziaja, B.; Toleikis, S.; Cammarata, M.

2013-03-01

Recently, few-femtosecond pulses have become available at hard X-ray free-electron lasers. Coupled with the available sub-10 fs optical pulses, investigations into few-femtosecond dynamics are not far off. However, achieving sufficient synchronization between optical lasers and X-ray pulses continues to be challenging. We report a `measure-and-sort' approach, which achieves sub-10 fs root-mean-squared (r.m.s.) error measurement at hard X-ray FELs, far beyond the 100-200 fs r.m.s. jitter limitations. This timing diagnostic, now routinely available at the Linac Coherent Light Source (LCLS), is based on ultrafast free-carrier generation in optically transparent materials. Correlation between two independent measurements enables unambiguous demonstration of ~6 fs r.m.s. error in reporting the optical/X-ray delay, with single shot error suggesting the possibility of reaching few-femtosecond resolution.

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.

Methods for growth of relatively large step-free SiC crystal surfaces

Science.gov (United States)

Neudeck, Philip G. (Inventor); Powell, J. Anthony (Inventor)

2002-01-01

A method for growing arrays of large-area device-size films of step-free (i.e., atomically flat) SiC surfaces for semiconductor electronic device applications is disclosed. This method utilizes a lateral growth process that better overcomes the effect of extended defects in the seed crystal substrate that limited the obtainable step-free area achievable by prior art processes. The step-free SiC surface is particularly suited for the heteroepitaxial growth of 3C (cubic) SiC, AlN, and GaN films used for the fabrication of both surface-sensitive devices (i.e., surface channel field effect transistors such as HEMT's and MOSFET's) as well as high-electric field devices (pn diodes and other solid-state power switching devices) that are sensitive to extended crystal defects.

Characterization of lacunar defects by positrons annihilation

International Nuclear Information System (INIS)

Barthe, M.F.; Corbel, C.; Blondiaux, G.

2003-01-01

Among the nondestructive methods for the study of matter, the positrons annihilation method allows to sound the electronic structure of materials by measuring the annihilation characteristics. These characteristics depend on the electronic density as seen by the positon, and on the electron momentums distribution which annihilate with the positon. The positon is sensible to the coulombian potential variations inside a material and sounds preferentially the regions away from nuclei which represent potential wells. The lacunar-type defects (lack of nuclei) represent deep potential wells which can trap the positon up to temperatures close to the melting. This article describes the principles of this method and its application to the characterization of lacunar defects: 1 - positrons: matter probes (annihilation of electron-positon pairs, annihilation characteristics, positrons sources); 2 - positrons interactions in solids (implantation profiles, annihilation states, diffusion and trapping, positon lifetime spectrum: evolution with the concentration of defects); 3 - measurement of annihilation characteristics with two gamma photons (lifetime spectroscopy with the β + 22 Na isotope, spectroscopy of Doppler enlargement of the annihilation line); 4 - determination of the free volume of defects inside or at the surface of materials (annihilation signature in lacunar defects, lacuna, lacunar clusters and cavities, acceptors nature in semiconductors: ionic or lacunar, interface defects, precipitates in alloys); 5 - conclusions. (J.S.)

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

Defects and Disorder in the Drosophila Eye

Science.gov (United States)

Kim, Sangwoo; Carthew, Richard; Hilgenfeldt, Sascha

Cell division and differentiation tightly control the regular pattern in the normal eye of the Drosophila fruit fly while certain genetic mutations introduce disorder in the form of topological defects. Analyzing data from pupal retinas, we develop a model based on Voronoi construction that explains the defect statistics as a consequence of area variation of individual facets (ommatidia). The analysis reveals a previously unknown systematic long-range area variation that spans the entire eye, with distinct effects on topological disorder compared to local fluctuations. The internal structure of the ommatidia and the stiffness of their interior cells also plays a crucial role in the defect generation. Accurate predictions of the correlation between the area variation and the defect density in both normal and mutant animals are obtained without free parameters. This approach can potentially be applied to cellular systems in many other contexts to identify size-topology correlations near the onset of symmetry breaking. This work has been supported by the NIH (GM098077) and the NSF (Grant No. 1504301).

[Progress of Masquelet technique to repair bone defect].

Science.gov (United States)

Yin, Qudong; Sun, Zhenzhong; Gu, Sanjun

2013-10-01

To summarize the progress of Masquelet technique to repair bone defect. The recent literature concerning the application of Masquelet technique to repair bone defect was extensively reviewed and summarized. Masquelet technique involves a two-step procedure. First, bone cement is used to fill the bone defect after a thorough debridement, and an induced membrane structure surrounding the spacer formed; then the bone cement is removed after 6-8 weeks, and rich cancellous bone is implanted into the induced membrane. Massive cortical bone defect is repaired by new bone forming and consolidation. Experiments show that the induced membrane has vascular system and is also rich in vascular endothelial growth factor, transforming growth factor beta1, bone morphogenetic protein 2, and bone progenitor cells, so it has osteoinductive property; satisfactory results have been achieved in clinical application of almost all parts of defects, various types of bone defect and massive defect up to 25 cm long. Compared with other repair methods, Masquelet technique has the advantages of reliable effect, easy to operate, few complications, low requirements for recipient site, and wide application. Masquelet technique is an effective method to repair bone defect and is suitable for various types of bone defect, especially for bone defects caused by infection and tumor resection.

Defect Engineering toward Atomic Co-Nx -C in Hierarchical Graphene for Rechargeable Flexible Solid Zn-Air Batteries.

Science.gov (United States)

Tang, Cheng; Wang, Bin; Wang, Hao-Fan; Zhang, Qiang

2017-10-01

Rechargeable flexible solid Zn-air battery, with a high theoretical energy density of 1086 Wh kg -1 , is among the most attractive energy technologies for future flexible and wearable electronics; nevertheless, the practical application is greatly hindered by the sluggish oxygen reduction reaction/oxygen evolution reaction (ORR/OER) kinetics on the air electrode. Precious metal-free functionalized carbon materials are widely demonstrated as the most promising candidates, while it still lacks effective synthetic methodology to controllably synthesize carbocatalysts with targeted active sites. This work demonstrates the direct utilization of the intrinsic structural defects in nanocarbon to generate atomically dispersed Co-N x -C active sites via defect engineering. As-fabricated Co/N/O tri-doped graphene catalysts with highly active sites and hierarchical porous scaffolds exhibit superior ORR/OER bifunctional activities and impressive applications in rechargeable Zn-air batteries. Specifically, when integrated into a rechargeable and flexible solid Zn-air battery, a high open-circuit voltage of 1.44 V, a stable discharge voltage of 1.19 V, and a high energy efficiency of 63% at 1.0 mA cm -2 are achieved even under bending. The defect engineering strategy provides a new concept and effective methodology for the full utilization of nanocarbon materials with various structural features and further development of advanced energy materials. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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.)

Immediate reconstruction of maxillectomy defects using anterolateral thigh free flap in patients from a low resource region.

Science.gov (United States)

Liu, Wei Wei; Peng, Han Wei; Guo, Zhu Ming; Zhang, Quan; Yang, An Kui

2012-11-01

To report the reliability and reconstructive outcome of using anterolateral thigh (ALT) flap with or without titanium mesh to repair maxillectomy defects in a patient from a low resource region (LRR). Retrospective review. Clinical data of patients with oral-maxillofacial cancers who underwent maxillectomy and reconstruction using ALT flap in two tertiary cancer centers in southern China were retrospectively reviewed. Reconstructive techniques, flap survival, postoperative oral functions, and surgical complications were reported. Apart from one total flap loss, 18 of the 19 free ALT flaps survived. Titanium mesh was used in two patients with total maxillectomy defects. Eighteen of the 19 patients resumed a normal oral diet. Fourteen patients had good speech, except one patient with poor pronunciation, and four patients had average speech. One patient presented with postoperative palatal fistula. No other complications were observed. The application of ALT flaps with or without titanium mesh to repair maxillectomy defects is straightforward and reliable and has an acceptable reconstructive outcome. It might be a suitable procedure for patients from an LRR. Copyright © 2012 The American Laryngological, Rhinological, and Otological Society, Inc.

Achievements and Problems of Reform of Investment Management System for Shanghai Pilot Free Trade Zone

Institute of Scientific and Technical Information of China (English)

Chengrong; PAN

2014-01-01

The establishment of Shanghai Pilot Free Trade Zone provides many possibilities for China’s economic construction. This paper made a comparative analysis on investment management system of Shanghai Pilot Free Trade Zone and traditional investment management system,discussed achievements and problems of reform of investment management system of Shanghai Pilot Free Trade Zone,and finally came up with pertinent policy recommendations.

Dynamic plastic behaviour of a notched free-free beam subjected to step-loading at one end

International Nuclear Information System (INIS)

Zhang, Y.; Yang, J.L.

2002-01-01

A rigid perfectly plastic model is developed to study the initial, small deflection response of a free-free beam with an initial notch along its span under a concentrated step-loading suddenly applied at one end of the beam. Complete solutions are obtained for various combinations of the magnitude of the load, the location of the notch and its defect-severity. The partitioning of the initial energy dissipation rates is discussed for some typical situations. It is concluded that: (i) the different initial deformation mechanisms and the initial energy dissipation rate of the beam depend not only on the magnitude of the load but also on the defect-severity and location of the notch; (ii) because of the influence of the notch, the structural response of the beam is far more complicated than that of the un-notched free-free beam; and (iii) for some cases the maximum rate of energy dissipation in plastic hinges will be more than 1/3 of the total input energy rate, while for an un-notched free-free beam, it has been demonstrated that the plastic dissipated energy is always less than 1/3 of the input energy [Int. J. Impact Engng 21 (1998) 165

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

Towards Free-Form Kinetic Structures

DEFF Research Database (Denmark)

Parigi, Dario; Kirkegaard, Poul Henning

2012-01-01

of pin-slot paths starting from the local displacements of element [2] [3]. In the design of kinetic structures, in particular when complex three dimensional and non regular configurations are involved, the functionality is frequently related to a global displacement capability of the assembly rather...... for the generation of free-form kinetic structures....

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...

Head and neck reconstruction with pedicled flaps in the free flap era.

Science.gov (United States)

Mahieu, R; Colletti, G; Bonomo, P; Parrinello, G; Iavarone, A; Dolivet, G; Livi, L; Deganello, A

2016-12-01

Nowadays, the transposition of microvascular free flaps is the most popular method for management of head and neck defects. However, not all patients are suitable candidates for free flap reconstruction. In addition, not every defect requires a free flap transfer to achieve good functional results. The aim of this study was to assess whether pedicled flap reconstruction of head and neck defects is inferior to microvascular free flap reconstruction in terms of complications, functionality and prognosis. The records of consecutive patients who underwent free flap or pedicled flap reconstruction after head and neck cancer ablation from 2006 to 2015, from a single surgeon, in the AOUC Hospital, Florence Italy were analysed. A total of 93 patients, the majority with oral cancer (n = 59), were included, of which 64 were pedicled flap reconstructions (69%). The results showed no significant differences in terms of functional outcome, flap necrosis and complications in each type of reconstruction. Multivariate regression analysis of flap necrosis and functional impairments showed no associated factors. Multivariate regression analysis of complicated flap healing showed that only comorbidities remained an explaining factor (p = 0.019). Survival analysis and proportional hazard regression analysis regarding cancer relapse or distant metastasis, showed no significant differences in prognosis of patients concerning both types of reconstruction. In this retrospective, non-randomised study cohort, pedicled flaps were not significantly inferior to free flaps for reconstruction of head and neck defects, considering functionality, complications and prognosis. © Copyright by Società Italiana di Otorinolaringologia e Chirurgia Cervico-Facciale, Rome, Italy.

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

Surface defects and chiral algebras

Energy Technology Data Exchange (ETDEWEB)

Córdova, Clay [School of Natural Sciences, Institute for Advanced Study,1 Einstein Dr, Princeton, NJ 08540 (United States); Gaiotto, Davide [Perimeter Institute for Theoretical Physics,31 Caroline St N, Waterloo, ON N2L 2Y5 (Canada); Shao, Shu-Heng [School of Natural Sciences, Institute for Advanced Study,1 Einstein Dr, Princeton, NJ 08540 (United States)

2017-05-26

We investigate superconformal surface defects in four-dimensional N=2 superconformal theories. Each such defect gives rise to a module of the associated chiral algebra and the surface defect Schur index is the character of this module. Various natural chiral algebra operations such as Drinfeld-Sokolov reduction and spectral flow can be interpreted as constructions involving four-dimensional surface defects. We compute the index of these defects in the free hypermultiplet theory and Argyres-Douglas theories, using both infrared techniques involving BPS states, as well as renormalization group flows onto Higgs branches. In each case we find perfect agreement with the predicted characters.

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.

Achievements and Problems of Reform of Investment Management System for Shanghai Pilot Free Trade Zone

OpenAIRE

PAN, Chengrong

2014-01-01

The establishment of Shanghai Pilot Free Trade Zone provides many possibilities for China’s economic construction. This paper made a comparative analysis on investment management system of Shanghai Pilot Free Trade Zone and traditional investment management system, discussed achievements and problems of reform of investment management system of Shanghai Pilot Free Trade Zone, and finally came up with pertinent policy recommendations.

Study of defect generated visible photoluminescence in zinc oxide nano-particles prepared using PVA templates

Energy Technology Data Exchange (ETDEWEB)

Oudhia, A. [Department of Physics, Government V.Y.T. PG. Autonomous College, Durg, 491001 C.G. (India); Choudhary, A., E-mail: aarti.bhilai@gmail.com [Department of Physics, Government V.Y.T. PG. Autonomous College, Durg, 491001 C.G. (India); Sharma, S.; Aggrawal, S. [Department of Physics, Government V.Y.T. PG. Autonomous College, Durg, 491001 C.G. (India); Dhoble, S.J. [RTM University Nagpur, Maharashtra (India)

2014-10-15

Intrinsic defect generated photoluminescence (PL) in zinc oxide nanoparticles (NPs) obtained by a PVA template based wet-chemical process has been studied. A good controllability was achieved on the surface defects, structure and the morphology of ZnO NPs through the variation of solvents used in synthesis. The PL emission strongly depended on the defect structure and morphology. SEM, XRD, annealing and PL excitation studies were used to analyze the types of defects involved in the visible emission as well as the defect concentration. The mechanism for the blue, green and yellow emissions was proposed. The spectral content of the visible emission was controlled through generation/removal of defects through the shape transformation or annealing by focusing on defect origins and broad controls. - Highlights: • ZnO nanoparticles were synthesized using poly-vinyl alcohol template in various solvents. • The structure and morphology of ZnO nanoparticles were depended on dielectric constant and boiling point of solvents. • Photoluminescence properties of ZnO nanoparticles were studied. • Maximum optical absorbance and Photoluminescence intensity were found in ethanolic preparation. • ZnO nanoparticles were annealed at different temperatures for detection of defect emission.

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

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.

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)

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

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.

Use of porous silicon to minimize oxidation induced stacking fault defects in silicon

International Nuclear Information System (INIS)

Shieh, S.Y.; Evans, J.W.

1992-01-01

This paper presents methods for minimizing stacking fault defects, generated during oxidation of silicon, include damaging the back of the wafer or depositing poly-silicon on the back. In either case a highly defective structure is created and this is capable of gettering either self-interstitials or impurities which promote nucleation of stacking fault defects. A novel method of minimizing these defects is to form a patch of porous silicon on the back of the wafer by electrochemical etching. Annealing under inert gas prior to oxidation may then result in the necessary gettering. Experiments were carried out in which wafers were subjected to this treatment. Subsequent to oxidation, the wafers were etched to remove oxide and reveal defects. The regions of the wafer adjacent to the porous silicon patch were defect-free, whereas remote regions had defects. Deep level transient spectroscopy has been used to examine the gettering capability of porous silicon, and the paper discusses the mechanism by which the porous silicon getters

Induced defects in neutron irradiated GaN single crystals

International Nuclear Information System (INIS)

Park, I. W.; Koh, E. K.; Kim, Y. M.; Choh, S. H.; Park, S. S.; Kim, B. G.; Sohn, J. M.

2005-01-01

The local structure of defects in undoped, Si-doped, and neutron irradiated free standing GaN bulk crystals, grown by hydride vapor phase epitaxy, has been investigated by employing Raman scattering and cathodoluminescence. The GaN samples were irradiated to a dose of 2 x 10 17 neutrons in an atomic reactor at Korea Atomic Energy Research Institute. There was no appreciable change in the Raman spectra for undoped GaN samples before and after neutron irradiation. However, a forbidden transition, A 1 (TO) mode, appeared for a neutron irradiated Si-doped GaN crystal. Cathodoluminescence spectrum for the neutron irradiated Si-doped GaN crystal became much more broadened than that for the unirradiated one. The experimental results reveal the generation of defects with locally deformed structure in the wurtzite Si-doped GaN single crystal

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.

Research on the Multilayer Free Damping Structure Design

Directory of Open Access Journals (Sweden)

Jie Meng

2018-01-01

Full Text Available The aim of this paper is to put forward a design model for multilayer free damping structures. It sets up a mathematical model and deduces the formula for its structural loss factor η and analyzes the change rules of η along with the change rate of the elastic modulus ratio q1, the change rate of the loss factors of damping materials q2, and the change rate of the layer thickness ratio q3 under the condition with the layer thickness ratio h2=1,3,5,10 by software MATLAB. Based on three specific damping structures, the mathematical model is verified through ABAQUS. With the given structural loss factor (η≥2 and the layer number (n=3,4,5,6, 34 kinds of multilayer free damping structures are then presented. The study is meant to provide a more flexible and more diverse design solution for multilayer free damping structures.

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

Holographic Chern-Simons defects

International Nuclear Information System (INIS)

Fujita, Mitsutoshi; Melby-Thompson, Charles M.; Meyer, René; Sugimoto, Shigeki

2016-01-01

We study SU(N) Yang-Mills-Chern-Simons theory in the presence of defects that shift the Chern-Simons level from a holographic point of view by embedding the system in string theory. The model is a D3-D7 system in Type IIB string theory, whose gravity dual is given by the AdS soliton background with probe D7 branes attaching to the AdS boundary along the defects. We holographically renormalize the free energy of the defect system with sources, from which we obtain the correlation functions for certain operators naturally associated to these defects. We find interesting phase transitions when the separation of the defects as well as the temperature are varied. We also discuss some implications for the Fractional Quantum Hall Effect and for 2-dimensional QCD.

Growth of defect-free GaAsSbN axial nanowires via self-catalyzed molecular beam epitaxy

Science.gov (United States)

Sharma, Manish; Deshmukh, Prithviraj; Kasanaboina, Pavan; Reynolds, C. Lewis, Jr.; Liu, Yang; Iyer, Shanthi

2017-12-01

Bandgap reduction of 10% by incorporation of a dilute amount of N is reported for the first time, in axial GaAsSb nanowires (NWs) grown on Si (111) via Ga-assisted molecular beam epitaxy. Impact of N incorporation on the surface morphology, NW growth kinetics, and their structural and optical properties were examined. Dilute nitride NWs with Sb composition of 7 at% did not exhibit any noticeable planar defects, as revealed by the absence of satellite twin peaks in the selected-area diffraction pattern and high-resolution transmission electron microscopy imaging. Point defects were also minimal in as-grown dilute nitride NWs, as ascertained from the comparison of low-temperature photoluminescence spectra as well as the shape and shift of Raman modes, with in situ annealed NWs in different ambients. Evidence of enhanced incorporation of N was found in the NWs in situ annealed in N ambient, but with deteriorated optical quality due to simultaneous creation of N-induced defects. The lack of any noticeable defects in the as-grown GaAsSbN NWs demonstrates the advantage of the vapor-liquid-solid mechanism responsible for growth of axial configuration over the vapor-solid growth mechanism for core-shell NWs as well as their thin film counterpart, which commonly exhibit N-induced point defects.

Combining Simulated and Experimental Data to Simulate Ultrasonic Array Data From Defects in Materials With High Structural Noise.

Science.gov (United States)

Bloxham, Harry A; Velichko, Alexander; Wilcox, Paul David

2016-12-01

Ultrasonic nondestructive testing inspections using phased arrays are performed on a wide range of components and materials. All real inspections suffer, to varying extents, from coherent noise, including image artifacts and speckle caused by complex geometries and grain scatter, respectively. By its nature, this noise is not reduced by averaging; however, it degrades the signal-to-noise ratio of defects and ultimately limits their detectability. When evaluating the effectiveness of an inspection, a large pool of data from samples containing a range of different defects are important to estimate the probability of detection of defects and to help characterize them. For a given inspection, coherent noise is easy to measure experimentally but hard to model realistically. Conversely, the ultrasonic response of defects can be simulated relatively easily. This paper proposes a novel method of simulating realistic array data by combining noise-free simulations of defect responses with coherent noise taken from experimental data. This removes the need for costly physical samples with known defects to be made and allows for large data sets to be created easily.

Splitting, linking, knotting, and solitonic escape of topological defects in nematic drops with handles.

Science.gov (United States)

Tasinkevych, Mykola; Campbell, Michael G; Smalyukh, Ivan I

2014-11-18

Topologically nontrivial field excitations, including solitonic, linked, and knotted structures, play important roles in physical systems ranging from classical fluids and liquid crystals, to electromagnetism, classic, and quantum field theories. These excitations can appear spontaneously during symmetry-breaking phase transitions. For example, in cosmological theories, cosmic strings may have formed knotted configurations influencing the Early Universe development, whereas in liquid crystals transient tangled defect lines were observed during isotropic-nematic transitions, eventually relaxing to defect-free states. Knotted and solitonic fields and defects were also obtained using optical manipulation, complex-shaped colloids, and frustrated cholesterics. Here we use confinement of nematic liquid crystal by closed surfaces with varied genus and perpendicular boundary conditions for a robust control of appearance and stability of such field excitations. Theoretical modeling and experiments reveal structure of defect lines as a function of the surface topology and material and geometric parameters, establishing a robust means of controlling solitonic, knotted, linked, and other field excitations.

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...

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.)

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

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

Size-dependent oriented attachment in the growth of pure and defect-free hexagonal boron nitride nanocrystals

Energy Technology Data Exchange (ETDEWEB)

Lin, L X; Zheng, Y [College of Chemistry and Materials Science, Fujian Normal University, Fuzhou 350007 (China); Li, Z H [Research Institute of Photocatalysis, Fuzhou University, Fuzhou 350002 (China); Ahmed, A S, E-mail: mtq10ll@sheffield.ac.uk, E-mail: zhaohuili@fzu.edu.cn, E-mail: zyingth@sina.com [Department of Materials Science and Engineering, University of Sheffield, Sheffield S1 3JD (United Kingdom)

2011-05-27

Pure and defect-free hexagonal boron nitride (hBN) nanocrystals with deep-ultraviolet light emissions at around 215 nm were prepared via a solid state reaction. This involved preparing a precursor from potassium borohydride and ammonium chloride powders, and then heating the precursor and additional ammonium chloride to 1000 deg. C within a nitrogen atmosphere. The hBN nanocrystals were studied using a variety of characterization techniques (e.g., TEM, AFM, N{sub 2} absorption/desorption). A growth mechanism based on size-dependent oriented attachment was proposed for the nanocrystals.

Calculation of the Doppler broadening of the electron-positron annihilation radiation in defect-free bulk materials

International Nuclear Information System (INIS)

Ghosh, V. J.; Alatalo, M.; Asoka-Kumar, P.; Nielsen, B.; Lynn, K. G.; Kruseman, A. C.; Mijnarends, P. E.

2000-01-01

Results of a calculation of the Doppler broadening of the positron-electron annihilation radiation and positron lifetimes in a large number of elemental defect-free materials are presented. A simple scheme based on the method of superimposed atoms is used for these calculations. Calculated values of the Doppler broadening are compared with experimental data for a number of elemental materials, and qualitative agreement is obtained. These results provide a database which can be used for characterizing materials and identifying impurity-vacancy complexes. (c) 2000 The American Physical Society

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.

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.

Stability of Pt{sub n} cluster on free/defective graphene: A first-principles study

Energy Technology Data Exchange (ETDEWEB)

Yang, G.M. [College of Physics, Changchun Normal University, Changchun 130032 (China); College of Materials Science and Engineering, Key Laboratory of Automobile Materials of MOE, Jilin University, Changchun 130012 (China); Fan, X.F., E-mail: xffan@jlu.edu.cn [College of Materials Science and Engineering, Key Laboratory of Automobile Materials of MOE, Jilin University, Changchun 130012 (China); Shi, S.; Huang, H.H. [College of Materials Science and Engineering, Key Laboratory of Automobile Materials of MOE, Jilin University, Changchun 130012 (China); Zheng, W.T., E-mail: wtzheng@jlu.edu.cn [College of Materials Science and Engineering, Key Laboratory of Automobile Materials of MOE, Jilin University, Changchun 130012 (China)

2017-01-15

Highlights: • The single-vacancy can enhance obviously the adsorption of Pt cluster on graphene. • Pt clusters on defected graphene prefer to adopt the close-packed model, except Pt{sub 13}. • The contact way of Pt{sub n} clusters on single-vacancy changes with the size increasing. - Abstract: With first-principles methods, we investigate the stability of isolated Pt{sub n} clusters from Sutton-Chen model and close-packed model, and their adsorption on defected graphene. The single-vacancy in graphene is found to enhance obviously the adsorption energy of Pt cluster on graphene due to the introduction of localized states near Fermi level. It is found that the close-packed model is more stable than Sutton-Chen model for the adsorption of Pt{sub n} cluster on single-vacancy graphene, except the magic number n = 13. The cluster Pt{sub 13} may be the richest one for small Pt clusters on defected graphene due to the strong adsorption on single-vacancy. The larger cluster adsorbed on defected graphene is predicted with the close-packed crystal structure. The charge is found to transfer from the Pt atom/cluster to graphene with the charge accumulation at the interface and the charge polarization on Pt cluster. The strong interaction between Pt cluster and single vacancy can anchor effectively the Pt nanoparticles on graphene and is also expected that the new states introduced near Fermi level can enhance the catalytic characteristic of Pt cluster.

Torsional structural response from free-field ground motion

International Nuclear Information System (INIS)

Lam, P.C.; Scavuzzo, R.J.

1979-01-01

Torsional response of structures subjected to the action of both the free-field torsional inputs and external torque is investigated. By expanding the work of Scanlan, both lateral and torsional foundation inputs due to a travelling shear wave are derived from the free-field point motion. These free-field torsional motions are used as the basis of numerical studies. Response for different soil stiffness and structural characteristics are studied, as well as different dynamic models. In one dynamic model the structure is coupled to the soil using a compliance spring matrix and in the second model the structure coupled to an elastic half-space. Results of these two basic models are compared and found to be in good agreement. Finally, torsional structural response caused by torsional inputs is compared with lateral response caused by modified lateral inputs to determine the significance of torsional excitation on the seismic response of building structures. Numerical results show that these torsional seismic loads are as large or larger than those from modified lateral inputs. (orig.)

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.)

Free-standing nanomechanical and nanophotonic structures in single-crystal diamond

Science.gov (United States)

Burek, Michael John

Realizing complex three-dimensional structures in a range of material systems is critical to a variety of emerging nanotechnologies. This is particularly true of nanomechanical and nanophotonic systems, both relying on free-standing small-scale components. In the case of nanomechanics, necessary mechanical degrees of freedom require physically isolated structures, such as suspended beams, cantilevers, and membranes. For nanophotonics, elements like waveguides and photonic crystal cavities rely on light confinement provided by total internal reflection or distributed Bragg reflection, both of which require refractive index contrast between the device and surrounding medium (often air). Such suspended nanostructures are typically fabricated in a heterolayer structure, comprising of device (top) and sacrificial (middle) layers supported by a substrate (bottom), using standard surface nanomachining techniques. A selective, isotropic etch is then used to remove the sacrificial layer, resulting in free-standing devices. While high-quality, crystalline, thin film heterolayer structures are readily available for silicon (as silicon-on-insulator (SOI)) or III-V semiconductors (i.e. GaAs/AlGaAs), there remains an extensive list of materials with attractive electro-optic, piezoelectric, quantum optical, and other properties for which high quality single-crystal thin film heterolayer structures are not available. These include complex metal oxides like lithium niobate (LiNbO3), silicon-based compounds such as silicon carbide (SiC), III-V nitrides including gallium nitride (GaN), and inert single-crystals such as diamond. Diamond is especially attractive for a variety of nanoscale technologies due to its exceptional physical and chemical properties, including high mechanical hardness, stiffness, and thermal conductivity. Optically, it is transparent over a wide wavelength range (from 220 nm to the far infrared), has a high refractive index (n ~ 2.4), and is host to a vast

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.

Prediction of free-volume-type correlations in glassy chalcogenides from positron annihilation lifetime measurements

International Nuclear Information System (INIS)

Shpotyuk, O.; Ingram, A.; Shpotyuk, M.; Filipecki, J.

2014-01-01

Highlights: • Decisive role of specific chemical environment in free-volume correlations in glass. • Realistic free volumes in As–S/Se glass are defined by newly modified τ 2 -R formula. • Overestimated void sizes in chalcogenide glass as compared with molecular polymers. - Abstract: A newly modified correlation equation between defect-related positron lifetime determined within two-state trapping model and radius of corresponding free-volume-type defects was proposed to describe compositional variations in atomic-deficient structure of covalent-bonded chalcogenides like binary As–S/Se glasses. Specific chemical environment of free-volume voids around neighboring network-forming polyhedrons was shown to play a decisive role in this correlation, leading to systematically enhanced volumes in comparison with typical molecular substrates, such as polymers

Prediction of free-volume-type correlations in glassy chalcogenides from positron annihilation lifetime measurements

Energy Technology Data Exchange (ETDEWEB)

Shpotyuk, O., E-mail: shpotyuk@novas.lviv.ua [Institute of Materials of SRC “Carat”, 212 Stryjska Str., Lviv 79031 (Ukraine); Institute of Physics of Jan Dlugosz University, 13/15 al. Armii Krajowej, Czestcochowa 42200 (Poland); Ingram, A. [Opole University of Technology, 75 Ozimska Str., Opole 45370 (Poland); Shpotyuk, M. [Institute of Materials of SRC “Carat”, 212 Stryjska Str., Lviv 79031 (Ukraine); Lviv Polytechnic National University, 12 Bandery Str., Lviv 79013 (Ukraine); Filipecki, J. [Institute of Physics of Jan Dlugosz University, 13/15 al. Armii Krajowej, Czestcochowa 42200 (Poland)

2014-11-01

Highlights: • Decisive role of specific chemical environment in free-volume correlations in glass. • Realistic free volumes in As–S/Se glass are defined by newly modified τ{sub 2}-R formula. • Overestimated void sizes in chalcogenide glass as compared with molecular polymers. - Abstract: A newly modified correlation equation between defect-related positron lifetime determined within two-state trapping model and radius of corresponding free-volume-type defects was proposed to describe compositional variations in atomic-deficient structure of covalent-bonded chalcogenides like binary As–S/Se glasses. Specific chemical environment of free-volume voids around neighboring network-forming polyhedrons was shown to play a decisive role in this correlation, leading to systematically enhanced volumes in comparison with typical molecular substrates, such as polymers.

Embedded high-contrast distributed grating structures

Science.gov (United States)

Zubrzycki, Walter J.; Vawter, Gregory A.; Allerman, Andrew A.

2002-01-01

A new class of fabrication methods for embedded distributed grating structures is claimed, together with optical devices which include such structures. These new methods are the only known approach to making defect-free high-dielectric contrast grating structures, which are smaller and more efficient than are conventional grating structures.

Structural Transitions of Solvent-Free Oligomer-Grafted Nanoparticles

KAUST Repository

Chremos, Alexandros

2011-09-01

Novel structural transitions of solvent-free oligomer-grafted nanoparticles are investigated by using molecular dynamics simulations of a coarse-grained bead-spring model. Variations in core size and grafting density lead to self-assembly of the nanoparticles into a variety of distinct structures. At the boundaries between different structures, the nanoparticle systems undergo thermoreversible transitions. This structural behavior, which has not been previously reported, deviates significantly from that of simple liquids. The reversible nature of these transitions in solvent-free conditions offers new ways to control self-assembly of nanoparticles at experimentally accessible conditions. © 2011 American Physical Society.

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.

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.

Free-volume characterization of nanostructurized substances by positron annihilation lifetime spectroscopy

Science.gov (United States)

Shpotyuk, O.; Ingram, A.; Shpotyuk, Ya.

2018-02-01

Methodological possibilities of positron annihilation lifetime (PAL) spectroscopy are examined to parameterize free-volume structural evolution processes in some nanostructurized substances obeying conversion from positronium (Ps) decaying to positron trapping. Unlike conventional x3-term fitting analysis based on admixed positron trapping and Ps decaying, the effect of nanostructurization is considered as occurring due to conversion from preferential Ps decaying in initial host matrix to positron trapping in modified (nanostructurized) host-guest matrix. The developed approach referred to as x3-x2-CDA (coupling decomposition algorithm) allows estimation defect-free bulk and defect-specific positron lifetimes of free-volume elements responsible for nanostructurization. The applicability of this approach is proved for some nanostructurized materials allowing free-volume changes through Ps-to-positron trapping conversion, such as (i) metallic Ag nanoparticles embedded in polymer matrix, (ii) structure-modification processes caused by swift heavy ions irradiation in polystyrene, and (iii) host-guest chemistry problems like water immersion in alumomagnesium spinel ceramics. This approach is considered to be used as test-indicator, separating processes of host-matrix nanostructurization due to embedded nanoparticles from uncorrelated changes in positron-trapping and Ps-decaying channels.

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

Diffraction of electromagnetic waves by a metallic bar grating with a defect in dielectric filling of the slits

Science.gov (United States)

Kochetova, Lyudmila A.; Prosvirnin, Sergey L.

2018-04-01

The problem of electromagnetic wave diffraction by the metallic bar grating with inhomogeneous dielectric filling of each slit between bars has been investigated by using the mode matching technique. The transmission and the inner field distribution have been analyzed for the structure which has a single defect in the periodic filling of slits. Such periodic structures are of particular interest for applications in optics, as they have the ability to concentrate a strong inner electromagnetic field and are characterized by high-Q transmission resonances. We use a simple approach to control the width and location of the stopband of the structure by placing a defect in the periodic filling of the grating slits. As a result, we observe the narrow resonance of transmission in terms of stopband width of the defect-free grating and confinement of strong inner electromagnetic field. By changing the permittivity of the defect layer we can shift the frequency of the resonant transmission.

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

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.

Coherent structures in compressible free-shear-layer flows

Energy Technology Data Exchange (ETDEWEB)

Aeschliman, D.P.; Baty, R.S. [Sandia National Labs., Albuquerque, NM (United States). Engineering Sciences Center; Kennedy, C.A.; Chen, J.H. [Sandia National Labs., Livermore, CA (United States). Combustion and Physical Sciences Center

1997-08-01

Large scale coherent structures are intrinsic fluid mechanical characteristics of all free-shear flows, from incompressible to compressible, and laminar to fully turbulent. These quasi-periodic fluid structures, eddies of size comparable to the thickness of the shear layer, dominate the mixing process at the free-shear interface. As a result, large scale coherent structures greatly influence the operation and efficiency of many important commercial and defense technologies. Large scale coherent structures have been studied here in a research program that combines a synergistic blend of experiment, direct numerical simulation, and analysis. This report summarizes the work completed for this Sandia Laboratory-Directed Research and Development (LDRD) project.

Mechanical properties and fracture behaviour of defective phosphorene nanotubes under uniaxial tension

Science.gov (United States)

Liu, Ping; Pei, Qing-Xiang; Huang, Wei; Zhang, Yong-Wei

2017-12-01

The easy formation of vacancy defects and the asymmetry in the two sublayers of phosphorene nanotubes (PNTs) may result in brand new mechanical properties and failure behaviour. Herein, we investigate the mechanical properties and fracture behaviour of defective PNTs under uniaxial tension using molecular dynamics simulations. Our simulation results show that atomic vacancies cause local stress concentration and thus significantly reduce the fracture strength and fracture strain of PNTs. More specifically, a 1% defect concentration is able to reduce the fracture strength and fracture strain by as much as 50% and 66%, respectively. Interestingly, the reduction in the mechanical properties is found to depend on the defect location: a defect located in the outer sublayer has a stronger effect than one located in the inner layer, especially for PNTs with a small diameter. Temperature is also found to strongly influence the mechanical properties of both defect-free and defective PNTs. When the temperature is increased from 0 K to 400 K, the fracture strength and fracture strain of defective PNTs with a defect concentration of 1% are reduced further by 71% and 61%, respectively. These findings are of great importance for the structural design of PNTs as building blocks in nanodevices.

Defect induced d0 ferromagnetism in a ZnO grain boundary

KAUST Repository

Devi, Assa Aravindh Sasikala

2015-12-08

Several experimental studies have referred to the grain boundary(GB) defect as the origin of ferromagnetism in zinc oxide (ZnO). However, the mechanism of this hypothesis has never been confirmed. Present study investigates the atomic structure and the effect of point defects in a ZnOGB using the generalized gradient approximation+U approximation. The relaxed GB possesses large periodicity and channels with 8 and 10 numbered atoms having 4 and 3 fold coordination. The Znvacancy (VZn) shows a tendency to be attracted to the GB, relative to the bulk-like region. Although no magnetization is obtained from point defect-free GB, VZn induces spin polarization as large as 0.68 μB/atom to the O sites at the GB.Ferromagnetic exchange energy >150 eV is obtained by increasing the concentration of VZn and by the injection of holes into the system. Electronic structure analysis indicates that the spin polarization without external dopants originates from the O 2p orbitals, a common feature of d0semiconductors.

Defect induced d0 ferromagnetism in a ZnO grain boundary

KAUST Repository

Devi, Assa Aravindh Sasikala; Schwingenschlö gl, Udo; Roqan, Iman S.

2015-01-01

Several experimental studies have referred to the grain boundary(GB) defect as the origin of ferromagnetism in zinc oxide (ZnO). However, the mechanism of this hypothesis has never been confirmed. Present study investigates the atomic structure and the effect of point defects in a ZnOGB using the generalized gradient approximation+U approximation. The relaxed GB possesses large periodicity and channels with 8 and 10 numbered atoms having 4 and 3 fold coordination. The Znvacancy (VZn) shows a tendency to be attracted to the GB, relative to the bulk-like region. Although no magnetization is obtained from point defect-free GB, VZn induces spin polarization as large as 0.68 μB/atom to the O sites at the GB.Ferromagnetic exchange energy >150 eV is obtained by increasing the concentration of VZn and by the injection of holes into the system. Electronic structure analysis indicates that the spin polarization without external dopants originates from the O 2p orbitals, a common feature of d0semiconductors.

Photoluminescence Enhancement and Structure Repairing of Monolayer MoSe 2 by Hydrohalic Acid Treatment

KAUST Repository

Han, Hau-Vei

2015-12-30

Atomically thin two-dimensional transition-metal dichalcogenides (TMDCs) have attracted much attention recently due to their unique electronic and optical properties for future optoelectronic devices. The chemical vapor deposition (CVD) method is able to generate TMDCs layers with a scalable size and a controllable thickness. However, the TMDC monolayers grown by CVD may incorporate structural defects, and it is fundamentally important to understand the relation between photoluminescence and structural defects. In this report, point defects (Se vacancies) and oxidized Se defects in CVD-grown MoSe2 monolayers are identified by transmission electron microscopy and X-ray photoelectron spectroscopy. These defects can significantly trap free charge carriers and localize excitons, leading to the smearing of free band-to-band exciton emission. Here, we report that the simple hydrohalic acid treatment (such as HBr) is able to efficiently suppress the trap-state emission and promote the neutral exciton and trion emission in defective MoSe2 monolayers through the p-doping process, where the overall photoluminescence intensity at room temperature can be enhanced by a factor of 30. We show that HBr treatment is able to activate distinctive trion and free exciton emissions even from highly defective MoSe2 layers. Our results suggest that the HBr treatment not only reduces the n-doping in MoSe2 but also reduces the structural defects. The results provide further insights of the control and tailoring the exciton emission from CVD-grown monolayer TMDCs.

High-Performance Quantum Dot Thin-Film Transistors with Environmentally Benign Surface Functionalization and Robust Defect Passivation.

Science.gov (United States)

Jung, Su Min; Kang, Han Lim; Won, Jong Kook; Kim, JaeHyun; Hwang, ChaHwan; Ahn, KyungHan; Chung, In; Ju, Byeong-Kwon; Kim, Myung-Gil; Park, Sung Kyu

2018-01-31

The recent development of high-performance colloidal quantum dot (QD) thin-film transistors (TFTs) has been achieved with removal of surface ligand, defect passivation, and facile electronic doping. Here, we report on high-performance solution-processed CdSe QD-TFTs with an optimized surface functionalization and robust defect passivation via hydrazine-free metal chalcogenide (MCC) ligands. The underlying mechanism of the ligand effects on CdSe QDs has been studied with hydrazine-free ex situ reaction derived MCC ligands, such as Sn 2 S 6 4- , Sn 2 Se 6 4- , and In 2 Se 4 2- , to allow benign solution-process available. Furthermore, the defect passivation and remote n-type doping effects have been investigated by incorporating indium nanoparticles over the QD layer. Strong electronic coupling and solid defect passivation of QDs could be achieved by introducing electronically active MCC capping and thermal diffusion of the indium nanoparticles, respectively. It is also noteworthy that the diffused indium nanoparticles facilitate charge injection not only inter-QDs but also between source/drain electrodes and the QD semiconductors, significantly reducing contact resistance. With benign organic solvents, the Sn 2 S 6 4- , Sn 2 Se 6 4- , and In 2 Se 4 2- ligand based QD-TFTs exhibited field-effect mobilities exceeding 4.8, 12.0, and 44.2 cm 2 /(V s), respectively. The results reported here imply that the incorporation of MCC ligands and appropriate dopants provide a general route to high-performance, extremely stable solution-processed QD-based electronic devices with marginal toxicity, offering compatibility with standard complementary metal oxide semiconductor processing and large-scale on-chip device applications.

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.

Modeling of Powder Bed Manufacturing Defects

Science.gov (United States)

Mindt, H.-W.; Desmaison, O.; Megahed, M.; Peralta, A.; Neumann, J.

2018-01-01

Powder bed additive manufacturing offers unmatched capabilities. The deposition resolution achieved is extremely high enabling the production of innovative functional products and materials. Achieving the desired final quality is, however, hampered by many potential defects that have to be managed in due course of the manufacturing process. Defects observed in products manufactured via powder bed fusion have been studied experimentally. In this effort we have relied on experiments reported in the literature and—when experimental data were not sufficient—we have performed additional experiments providing an extended foundation for defect analysis. There is large interest in reducing the effort and cost of additive manufacturing process qualification and certification using integrated computational material engineering. A prerequisite is, however, that numerical methods can indeed capture defects. A multiscale multiphysics platform is developed and applied to predict and explain the origin of several defects that have been observed experimentally during laser-based powder bed fusion processes. The models utilized are briefly introduced. The ability of the models to capture the observed defects is verified. The root cause of the defects is explained by analyzing the numerical results thus confirming the ability of numerical methods to provide a foundation for rapid process qualification.

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

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.

The healing of bony defects by cell-free collagen-based scaffolds compared to stem cell-seeded tissue engineered constructs.

LENUS (Irish Health Repository)

Lyons, Frank G

2010-12-01

One of the key challenges in tissue engineering is to understand the host response to scaffolds and engineered constructs. We present a study in which two collagen-based scaffolds developed for bone repair: a collagen-glycosaminoglycan (CG) and biomimetic collagen-calcium phosphate (CCP) scaffold, are evaluated in rat cranial defects, both cell-free and when cultured with MSCs prior to implantation. The results demonstrate that both cell-free scaffolds showed excellent healing relative to the empty defect controls and somewhat surprisingly, to the tissue engineered (MSC-seeded) constructs. Immunological analysis of the healing response showed higher M1 macrophage activity in the cell-seeded scaffolds. However, when the M2 macrophage response was analysed, both groups (MSC-seeded and non-seeded scaffolds) showed significant activity of these cells which are associated with an immunomodulatory and tissue remodelling response. Interestingly, the location of this response was confined to the construct periphery, where a capsule had formed, in the MSC-seeded groups as opposed to areas of new bone formation in the non-seeded groups. This suggests that matrix deposited by MSCs during in vitro culture may adversely affect healing by acting as a barrier to macrophage-led remodelling when implanted in vivo. This study thus improves our understanding of host response in bone tissue engineering.

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.

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.

Varying stiffness and load distributions in defective ball bearings: Analytical formulation and application to defect size estimation

Science.gov (United States)

Petersen, Dick; Howard, Carl; Prime, Zebb

2015-02-01

This paper presents an analytical formulation of the load distribution and varying effective stiffness of a ball bearing assembly with a raceway defect of varying size, subjected to static loading in the radial, axial and rotational degrees of freedom. The analytical formulation is used to study the effect of the size of the defect on the load distribution and varying stiffness of the bearing assembly. The study considers a square-shaped outer raceway defect centered in the load zone and the bearing is loaded in the radial and axial directions while the moment loads are zero. Analysis of the load distributions shows that as the defect size increases, defect-free raceway sections are subjected to increased static loading when one or more balls completely or partly destress when positioned in the defect zone. The stiffness variations that occur when balls pass through the defect zone are significantly larger and change more rapidly at the defect entrance and exit than the stiffness variations that occur for the defect-free bearing case. These larger, more rapid stiffness variations generate parametric excitations which produce the low frequency defect entrance and exit events typically observed in the vibration response of a bearing with a square-shaped raceway defect. Analysis of the stiffness variations further shows that as the defect size increases, the mean radial stiffness decreases in the loaded radial and axial directions and increases in the unloaded radial direction. The effects of such stiffness changes on the low frequency entrance and exit events in the vibration response are simulated with a multi-body nonlinear dynamic model. Previous work used the time difference between the low frequency entrance event and the high frequency exit event to estimate the size of the defect. However, these previous defect size estimation techniques cannot distinguish between defects that differ in size by an integer number of the ball angular spacing, and a third feature

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

The application of the mesh-free method in the numerical simulations of the higher-order continuum structures

Energy Technology Data Exchange (ETDEWEB)

Sun, Yuzhou, E-mail: yuzhousun@126.com; Chen, Gensheng; Li, Dongxia [School of Civil Engineering and Architecture, Zhongyuan University of Technology, Zhengzhou (China)

2016-06-08

This paper attempts to study the application of mesh-free method in the numerical simulations of the higher-order continuum structures. A high-order bending beam considers the effect of the third-order derivative of deflections, and can be viewed as a one-dimensional higher-order continuum structure. The moving least-squares method is used to construct the shape function with the high-order continuum property, the curvature and the third-order derivative of deflections are directly interpolated with nodal variables and the second- and third-order derivative of the shape function, and the mesh-free computational scheme is establish for beams. The coupled stress theory is introduced to describe the special constitutive response of the layered rock mass in which the bending effect of thin layer is considered. The strain and the curvature are directly interpolated with the nodal variables, and the mesh-free method is established for the layered rock mass. The good computational efficiency is achieved based on the developed mesh-free method, and some key issues are discussed.

The Effect of Perceived Motivational Structure of Classroom on Achievement Behaviors

Directory of Open Access Journals (Sweden)

Siavash Talepasand

2013-06-01

Full Text Available The aim of the study was to investigate the effect of perceived motivational structure of classroom on achievement behaviors (the choice of problem, effort, persistence in solving algorithm and flowchart problems. There were 45 high school male students (Mean age = 17 years old in the third grade of computer field in three classes. Classes were divided into two experimental and one control group. Instructional content was given in 10 sessions for 180 minutes. The variables of choice, effort, and persistence were collected by direct as-sessment method. A pre-test and post-test design was used. The Data were analyzed by using multivariate analysis of variance. Results indicated that mastery structure had positive effect on the amount of effort and persistence in solving algorithm and flowchart problems in comparison with control group. Mastery structure in comparison with performance structure increased the amount of effort in solving problems significantly. In addition, an interactive effect between previous achieve-ment and perceived structure of classroom was achieved in a mastery level. The amount of persistence in that of students with very weak previous achievement was more than students with average previous achievement. The find-ing of this study is compatible with the theory of achievement goal and illustrates that the mastery structure plays an effective role in forming achievement behaviors.

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

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.

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

Science.gov (United States)

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

2017-06-21

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

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....

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

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.

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

Study on sensing property of one-dimensional ring mirror-defect photonic crystal

Science.gov (United States)

Chen, Ying; Luo, Pei; Cao, Huiying; Zhao, Zhiyong; Zhu, Qiguang

2018-02-01

Based on the photon localization and the photonic bandgap characteristics of photonic crystals (PCs), one-dimensional (1D) ring mirror-defect photonic crystal structure is proposed. Due to the introduction of mirror structure, a defect cavity is formed in the center of the photonic crystal, and then the resonant transmission peak can be obtained in the bandgap of transmission spectrum. The transfer matrix method is used to establish the relationship model between the resonant transmission peak and the structure parameters of the photonic crystals. Using the rectangular air gate photonic crystal structure, the dynamic monitoring of the detected gas sample parameters can be achieved from the shift of the resonant transmission peak. The simulation results show that the Q-value can attain to 1739.48 and the sensitivity can attain to 1642 nm ṡ RIU-1, which demonstrates the effectiveness of the sensing structure. The structure can provide certain theoretical reference for air pollution monitoring and gas component analysis.

Free flap reconstruction for diabetic foot limb salvage.

Science.gov (United States)

Sato, Tomoya; Yana, Yuichiro; Ichioka, Shigeru

2017-12-01

Although free flap is gaining popularity for the reconstruction of diabetic foot ulcers, it is unclear whether free flap reconstruction increases the chances of postoperative independent ambulation. The aim of this study is to evaluate the relationship between free flap success and postoperative ambulation. This study reviewed 23 cases of free flap reconstruction for diabetic foot ulcers between January 2007 and March 2014. Free rectus abdominis, latissimus dorsi, and anterolateral thigh flaps were used in ten, eight, and five patients, respectively. A comparison was made between free flap success and postoperative independent ambulation using Fisher's exact test. Two patients developed congestive heart failure with fatal consequences within 14 days postoperatively, resulting in an in-hospital mortality rate of 8.7%. Five patients lost their flaps (21.7%). Of the 16 patients who had flap success, 12 achieved independent ambulation. Five patients with flap loss did not achieve independent ambulation, except one patient who underwent secondary flap reconstruction using a distally based sural flap. Fisher's exact test revealed that independent ambulation was associated with free flap success (p = 0.047). The present study indicates that free flap reconstruction may increase the possibility of independent ambulation for patients with extensive tissue defects due to diabetic ulcers. Intermediate limb salvage rates and independent ambulation rates were favourable in patients with successful reconstruction. The use of foot orthoses and a team approach with pedorthists were effective to prevent recurrence.

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

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.

Ultra-selective defect-free interfacially polymerized molecular sieve thin-film composite membranes for H2 purification

KAUST Repository

Ali, Zain

2017-10-10

Purification is a major bottleneck towards generating low-cost commercial hydrogen. In this work, inexpensive high-performance H2 separating membranes were fabricated by modifying the commercially successful interfacial polymerization production method for reverse osmosis membranes. Defect-free thin-film composite membranes were formed demonstrating unprecedented mixed-gas H2/CO2 selectivity of ≈ 50 at 140 °C with H2 permeance of 350 GPU, surpassing the permeance/selectivity upper bound of all known polymer membranes by a wide margin. The combination of exceptional separation performance and low manufacturing cost makes them excellent candidates for cost-effective hydrogen purification from steam cracking and similar processes.

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

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

Defect induced d{sup 0} ferromagnetism in a ZnO grain boundary

Energy Technology Data Exchange (ETDEWEB)

Assa Aravindh, Sasikala Devi; Schwingenschloegl, Udo; Roqan, Iman S, E-mail: iman.roqan@kaust.edu.sa [Division of Physical Sciences and Engineering, King Abdullah University of Science and Technology, Thuwal 2955-6900 (Saudi Arabia)

2015-12-14

Several experimental studies have referred to the grain boundary (GB) defect as the origin of ferromagnetism in zinc oxide (ZnO). However, the mechanism of this hypothesis has never been confirmed. Present study investigates the atomic structure and the effect of point defects in a ZnO GB using the generalized gradient approximation+U approximation. The relaxed GB possesses large periodicity and channels with 8 and 10 numbered atoms having 4 and 3 fold coordination. The Zn vacancy (V{sub Zn}) shows a tendency to be attracted to the GB, relative to the bulk-like region. Although no magnetization is obtained from point defect-free GB, V{sub Zn} induces spin polarization as large as 0.68 μ{sub B}/atom to the O sites at the GB. Ferromagnetic exchange energy >150 eV is obtained by increasing the concentration of V{sub Zn} and by the injection of holes into the system. Electronic structure analysis indicates that the spin polarization without external dopants originates from the O 2p orbitals, a common feature of d{sup 0} semiconductors.

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)

3D planning in the reconstruction of maxillofacial defects

NARCIS (Netherlands)

Schepers, Rutger Hendrik

2016-01-01

Resection of a tumor in the upper- or lower jaw often results in a large defect, because with the tumor resection also an adjacent part of the jaw is resected. The most favorable treatment for large defects is the combination of a bony free vascularized graft to reconstruct the defect with implants

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

DEFF Research Database (Denmark)

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

2009-01-01

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

Reconstruction of the Lower Extremity Using Free Flaps

Directory of Open Access Journals (Sweden)

Min Jo Kang

2013-09-01

Full Text Available BackgroundThe aim of lower-extremity reconstruction has focused on wound coverage and functional recovery. However, there are limitations in the use of a local flap in cases of extensive defects of the lower-extremities. Therefore, free flap is a useful option in lower-extremity reconstruction.MethodsWe performed a retrospective review of 49 patients (52 cases who underwent lower-extremity reconstruction at our institution during a 10-year period. In these patients, we evaluated causes and sites of defects, types of flaps, recipient vessels, types of anastomosis, survival rate, and complications.ResultsThere were 42 men and 10 women with a mean age of 32.7 years (range, 3-72 years. The sites of defects included the dorsum of the foot (19, pretibial area (17, ankle (7, heel (5 and other sites (4. The types of free flap included latissimus dorsi muscle flap (10, scapular fascial flap (6, anterolateral thigh flap (6, and other flaps (30. There were four cases of vascular complications, out of which two flaps survived after intervention. The overall survival of the flaps was 96.2% (50/52. There were 19 cases of other complications at recipient sites such as partial graft loss (8, partial flap necrosis (6 and infection (5. However, these complications were not notable and were resolved with skin grafts.ConclusionsThe free flap is an effective method of lower-extremity reconstruction. Good outcomes can be achieved with complete debridement and the selection of appropriate recipient vessels and flaps according to the recipient site.

Guiding, bending, and splitting of coupled defect surface modes in a surface-wave photonic crystal

Energy Technology Data Exchange (ETDEWEB)

Gao, Zhen; Gao, Fei [Division of Physics and Applied Physics, School of Physical and Mathematical Sciences, Nanyang Technological University, Singapore, Singapore 637371 (Singapore); Zhang, Baile, E-mail: blzhang@ntu.edu.sg [Division of Physics and Applied Physics, School of Physical and Mathematical Sciences, Nanyang Technological University, Singapore, Singapore 637371 (Singapore); Centre for Disruptive Photonic Technologies, Nanyang Technological University, Singapore, Singapore 637371 (Singapore)

2016-01-25

We experimentally demonstrate a type of waveguiding mechanism for coupled surface-wave defect modes in a surface-wave photonic crystal. Unlike conventional spoof surface plasmon waveguides, waveguiding of coupled surface-wave defect modes is achieved through weak coupling between tightly localized defect cavities in an otherwise gapped surface-wave photonic crystal, as a classical wave analogue of tight-binding electronic wavefunctions in solid state lattices. Wave patterns associated with the high transmission of coupled defect surface modes are directly mapped with a near-field microwave scanning probe for various structures including a straight waveguide, a sharp corner, and a T-shaped splitter. These results may find use in the design of integrated surface-wave devices with suppressed crosstalk.

Guiding, bending, and splitting of coupled defect surface modes in a surface-wave photonic crystal

International Nuclear Information System (INIS)

Gao, Zhen; Gao, Fei; Zhang, Baile

2016-01-01

We experimentally demonstrate a type of waveguiding mechanism for coupled surface-wave defect modes in a surface-wave photonic crystal. Unlike conventional spoof surface plasmon waveguides, waveguiding of coupled surface-wave defect modes is achieved through weak coupling between tightly localized defect cavities in an otherwise gapped surface-wave photonic crystal, as a classical wave analogue of tight-binding electronic wavefunctions in solid state lattices. Wave patterns associated with the high transmission of coupled defect surface modes are directly mapped with a near-field microwave scanning probe for various structures including a straight waveguide, a sharp corner, and a T-shaped splitter. These results may find use in the design of integrated surface-wave devices with suppressed crosstalk

In situ repair of bone and cartilage defects using 3D scanning and 3D printing.

Science.gov (United States)

Li, Lan; Yu, Fei; Shi, Jianping; Shen, Sheng; Teng, Huajian; Yang, Jiquan; Wang, Xingsong; Jiang, Qing

2017-08-25

Three-dimensional (3D) printing is a rapidly emerging technology that promises to transform tissue engineering into a commercially successful biomedical industry. However, the use of robotic bioprinters alone is not sufficient for disease treatment. This study aimed to report the combined application of 3D scanning and 3D printing for treating bone and cartilage defects. Three different kinds of defect models were created to mimic three orthopedic diseases: large segmental defects of long bones, free-form fracture of femoral condyle, and International Cartilage Repair Society grade IV chondral lesion. Feasibility of in situ 3D bioprinting for these diseases was explored. The 3D digital models of samples with defects and corresponding healthy parts were obtained using high-resolution 3D scanning. The Boolean operation was used to achieve the shape of the defects, and then the target geometries were imported in a 3D bioprinter. Two kinds of photopolymerized hydrogels were synthesized as bioinks. Finally, the defects of bone and cartilage were restored perfectly in situ using 3D bioprinting. The results of this study suggested that 3D scanning and 3D bioprinting could provide another strategy for tissue engineering and regenerative medicine.

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...

Structural plasticity: how intermetallics deform themselves in response to chemical pressure, and the complex structures that result.

Science.gov (United States)

Berns, Veronica M; Fredrickson, Daniel C

2014-10-06

Interfaces between periodic domains play a crucial role in the properties of metallic materials, as is vividly illustrated by the way in which the familiar malleability of many metals arises from the formation and migration of dislocations. In complex intermetallics, such interfaces can occur as an integral part of the ground-state crystal structure, rather than as defects, resulting in such marvels as the NaCd2 structure (whose giant cubic unit cell contains more than 1000 atoms). However, the sources of the periodic interfaces in intermetallics remain mysterious, unlike the dislocations in simple metals, which can be associated with the exertion of physical stresses. In this Article, we propose and explore the concept of structural plasticity, the hypothesis that interfaces in complex intermetallic structures similarly result from stresses, but ones that are inherent in a defect-free parent structure, rather than being externally applied. Using DFT-chemical pressure analysis, we show how the complex structures of Ca2Ag7 (Yb2Ag7 type), Ca14Cd51 (Gd14Ag51 type), and the 1/1 Tsai-type quasicrystal approximant CaCd6 (YCd6 type) can all be traced to large negative pressures around the Ca atoms of a common progenitor structure, the CaCu5 type with its simple hexagonal 6-atom unit cell. Two structural paths are found by which the compounds provide relief to the Ca atoms' negative pressures: a Ca-rich pathway, where lower coordination numbers are achieved through defects eliminating transition metal (TM) atoms from the structure; and a TM-rich path, along which the addition of spacer Cd atoms provides the Ca coordination environments greater independence from each other as they contract. The common origins of these structures in the presence of stresses within a single parent structure highlights the diverse paths by which intermetallics can cope with competing interactions, and the role that structural plasticity may play in navigating this diversity.

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...

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

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

Achievement Motivation: A Cross-Cultural Comparison Of Structure ...

African Journals Online (AJOL)

The objective of this study is to analyze the structure of the achievement motive domain for samples from five states in Nigeria. It was hypothesized that data collected from the various samples will reflect the basic facets suggested by the definitional framework of achievement motivation. It was also hypothesized that the ...

Phosphorus doped and defects engineered graphene for improved electrochemical sensing: synergistic effect of dopants and defects

International Nuclear Information System (INIS)

Chu, Ke; Wang, Fan; Tian, Ye; Wei, Zhen

2017-01-01

Heteroatom-doped graphene materials emerged as promising metal-free catalysts have recently attracted a growing interest in electrochemical sensing applications. However, their catalytic activity and sensing performances still need to be further improved. Herein, we reported the development of unique phosphorus (P)-doped and plasma-etched graphene (denoted as PG-E) as an efficient metal-free electrocatalyst for dopamine (DA) sensing. It was demonstrated that introducing both P-dopants and plasma-engineered defects in graphene could synergistically improve the activity toward electrocatalytic oxidation of DA by increasing the accessible active sites and promoting the electron transport capability. The resulting PG-E modified electrode showed exceptional DA sensing performances with low detection limit, high selectivity and good stability. These results suggested that the synergistic effect of dopants and defects might be an important factor for developing the advanced graphene-based metal-free catalysts for electrochemical sensing.

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.

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....

Scanning Laser Polarimetry and Optical Coherence Tomography for Detection of Retinal Nerve Fiber Layer Defects

Science.gov (United States)

Oh, Jong-Hyun

2009-01-01

Purpose To compare the ability of scanning laser polarimetry with variable corneal compensation (GDx-VCC) and Stratus optical coherence tomography (OCT) to detect photographic retinal nerve fiber layer (RNFL) defects. Methods This retrospective cross-sectional study included 45 eyes of 45 consecutive glaucoma patients with RNFL defects in red-free fundus photographs. The superior and inferior temporal quadrants in each eye were included for data analysis separately. The location and presence of RNFL defects seen in red-free fundus photographs were compared with those seen in GDx-VCC deviation maps and OCT RNFL analysis maps for each quadrant. Results Of the 90 quadrants (45 eyes), 31 (34%) had no apparent RNFL defects, 29 (32%) had focal RNFL defects, and 30 (33%) had diffuse RNFL defects in red-free fundus photographs. The highest agreement between GDx-VCC and red-free photography was 73% when we defined GDx-VCC RNFL defects as a cluster of three or more color-coded squares (p<5%) along the traveling line of the retinal nerve fiber in the GDx-VCC deviation map (kappa value, 0.388; 95% confidence interval (CI), 0.195 to 0.582). The highest agreement between OCT and red-free photography was 85% (kappa value, 0.666; 95% CI, 0.506 to 0.825) when a value of 5% outside the normal limit for the OCT analysis map was used as a cut-off value for OCT RNFL defects. Conclusions According to the kappa values, the agreement between GDx-VCC deviation maps and red-free photography was poor, whereas the agreement between OCT analysis maps and red-free photography was good. PMID:19794943

Oral and Oropharyngeal Reconstruction with a Free Flap.

Science.gov (United States)

Jeong, Woo Shik; Oh, Tae Suk

2016-06-01

Extensive surgical resection of the aerodigestive track can result in a large and complex defect of the oropharynx, which represents a significant reconstructive challenge for the plastic surgery. Development of microsurgical techniques has allowed for free flap reconstruction of oropharyngeal defects, with superior outcomes as well as decreases in postoperative complications. The reconstructive goals for oral and oropharyngeal defects are to restore the anatomy, to maintain continuity of the intraoral surface and oropharynx, to protect vital structures such as carotid arteries, to cover exposed portions of internal organs in preparation for adjuvant radiation, and to preserve complex functions of the oral cavity and oropharynx. Oral and oropharyngeal cancers should be treated with consideration of functional recovery. Multidisciplinary treatment strategies are necessary for maximizing disease control and preserving the natural form and function of the oropharynx.

[Management of vascular crisis of free flaps after reconstruction of head and neck defects caused by tumor resection].

Science.gov (United States)

Ni, Song; Zhu, Yiming; Li, Dezhi; Liu, Jie; An, Changming; Zhang, Bin; Liu, Shaoyan

2015-11-01

To discuss the management of vascular crisis of free flaps after reconstruction of head and neck defects caused by tumor resection. A total of 259 cases of free flap reconstruction performed in the Cancer Hospital of Chinese Academy of Medical Sciences from 2010 to 2013 were retrospectively analyzed, including 89 cases of anterolateral thigh flaps, 48 cases of radial forearm flaps, 46 free fibula flaps, 5 cases of inferior epigastric artery perforator flaps, 5 cases of free latissimus dorsi flaps, one case of lateral arm flap, and one case of medial femoral flap. The surveillance frequency of free flaps was q1h on post-operative day (POD) 1, q2h on POD 2 and 3, and q4h after POD 3. Vascular crises were reviewed for analysis. The incidence rate of vascular crisis was 8.1% (21/259), with 15 males and 6 females. The average age was 54.8 years old (17-68), and the average time of vascular crisis was 100.8 h post-operation (3-432). There were 7 cases of free jejunum flaps and 14 dermal free flaps. Seven of these 21 cases with vascular crisis were rescued by surgery. The success rate of salvage surgery within 72 hours from the primary operation was 54.5% (6/11), significantly higher than that of salvage surgery performed later than 72 hours from primary operation (10.0%, 1/10, P=0.043). There were 14 cases of flap necrosis, two of which died of local infection. Early detection of vascular crisis can effectively improve the success rate of salvage, so as to avoid the serious consequences caused by free flap necrosis.

Direct observation of free-exciton thermalization in quantum-well structures

DEFF Research Database (Denmark)

Umlauff, M.; Hoffmann, J.; Kalt, H.

1998-01-01

We report on a direct observation of free-exciton thermalization in quantum-well structures. A narrow energy distribution of free 1s excitons is created in ZnSe-based quantum wells by emission of one LO phonon after optical excitation of the continuum stales with picosecond laser pulses. The subs......We report on a direct observation of free-exciton thermalization in quantum-well structures. A narrow energy distribution of free 1s excitons is created in ZnSe-based quantum wells by emission of one LO phonon after optical excitation of the continuum stales with picosecond laser pulses...

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...

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.

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

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

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.

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

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.

Robot-Assisted Free Flap in Head and Neck Reconstruction

Directory of Open Access Journals (Sweden)

Han Gyeol Song

2013-07-01

Full Text Available BackgroundRobots have allowed head and neck surgeons to extirpate oropharyngeal tumors safely without the need for lip-split incision or mandibulotomy. Using robots in oropharyngeal reconstruction is new but essential for oropharyngeal defects that result from robotic tumor excision. We report our experience with robotic free-flap reconstruction of head and neck defects to exemplify the necessity for robotic reconstruction.MethodsWe investigated head and neck cancer patients who underwent ablation surgery and free-flap reconstruction by robot. Between July 1, 2011 and March 31, 2012, 5 cases were performed and patient demographics, location of tumor, pathologic stage, reconstruction methods, flap size, recipient vessel, necessary pedicle length, and operation time were investigated.ResultsAmong five free-flap reconstructions, four were radial forearm free flaps and one was an anterolateral thigh free-flap. Four flaps used the superior thyroid artery and one flap used a facial artery as the recipient vessel. The average pedicle length was 8.8 cm. Flap insetting and microanastomosis were achieved using a specially manufactured robotic instrument. The total operation time was 1,041.0 minutes (range, 814 to 1,132 minutes, and complications including flap necrosis, hematoma, and wound dehiscence did not occur.ConclusionsThis study demonstrates the clinically applicable use of robots in oropharyngeal reconstruction, especially using a free flap. A robot can assist the operator in insetting the flap at a deep portion of the oropharynx without the need to perform a traditional mandibulotomy. Robot-assisted reconstruction may substitute for existing surgical methods and is accepted as the most up-to-date method.

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.

Secondary defects in non-metallic solids

International Nuclear Information System (INIS)

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

1977-01-01

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

Effect of dose and size on defect engineering in carbon cluster implanted silicon wafers

Science.gov (United States)

Okuyama, Ryosuke; Masada, Ayumi; Shigematsu, Satoshi; Kadono, Takeshi; Hirose, Ryo; Koga, Yoshihiro; Okuda, Hidehiko; Kurita, Kazunari

2018-01-01

Carbon-cluster-ion-implanted defects were investigated by high-resolution cross-sectional transmission electron microscopy toward achieving high-performance CMOS image sensors. We revealed that implantation damage formation in the silicon wafer bulk significantly differs between carbon-cluster and monomer ions after implantation. After epitaxial growth, small and large defects were observed in the implanted region of carbon clusters. The electron diffraction pattern of both small and large defects exhibits that from bulk crystalline silicon in the implanted region. On the one hand, we assumed that the silicon carbide structure was not formed in the implanted region, and small defects formed because of the complex of carbon and interstitial silicon. On the other hand, large defects were hypothesized to originate from the recrystallization of the amorphous layer formed by high-dose carbon-cluster implantation. These defects are considered to contribute to the powerful gettering capability required for high-performance CMOS image sensors.

Defects at oxide surfaces

CERN Document Server

Thornton, Geoff

2015-01-01

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

Defects quantization in industrial radiographs by image processing

International Nuclear Information System (INIS)

Briand, F.Y.; Brillault, B.; Philipp, S.

1988-01-01

This paper refers to the industrial application of image processing using Non Destructive Testing by radiography. The various problems involved by the conception of a numerical tool are described. This tool intends to help radiograph experts to quantify defects and to follow up their evolution, using numerical techniques. The sequences of processings that achieve defect segmentation and quantization are detailed. They are based on the thorough knowledge of radiographs formation techniques. The process uses various methods of image analysis, including textural analysis and morphological mathematics. The interface between the final product and users will occur in an explicit language, using the terms of radiographic expertise without showing any processing details. The problem is thoroughly described: image formation, digitization, processings fitted to flaw morphology and finally product structure in progress. 12 refs [fr

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.

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.)

Defect attributed variations of the photoconductivity and photoluminescence in the HVPE and MOCVD as-grown and irradiated GaN structures

International Nuclear Information System (INIS)

Gaubas, E.; Pobedinskas, P.; Vaitkus, J.; Uleckas, A.; Zukauskas, A.; Blue, A.; Rahman, M.; Smith, K.M.; Aujol, E.; Beaumont, B.; Faurie, J.-P.; Gibart, P.

2005-01-01

The effect of native and radiation induced defects on the photoconductivity transients and photoluminescence spectra have been examined in GaN epitaxial layers of 2.5 and 12μm thickness grown on bulk n-GaN/sapphire substrates by metal-organic chemical vapor deposition (MOCVD). For comparison, free-standing GaN as-grown samples of 500μm thickness, fabricated by hydride vapor phase epitaxy (HVPE), were investigated. Manifestation of defects induced by 10-keV X-ray irradiation with the dose of 600Mrad and 100-keV neutrons with the fluences of 5x10 14 and 10 16 cm -2 as well as of 24GeV/c protons with fluence 10 16 cm -2 have been revealed through contact photoconductivity and microwave absorption transients. The amplitude of the initial photoconductivity decay is significantly reduced by the native and radiation defects density. Synchronous decrease of the steady-state PL intensity of yellow, blue and ultraviolet bands peaked at 2.18, 2.85, and 3.42eV, respectively, with density of radiation-induced defects is observed. The decrease of the PL intensity is accompanied by an increase of asymptotic decay lifetime in the photoconductivity transients, which is due to excess-carrier multi-trapping. The decay fits the stretched exponent approximation exp[-(t/τ) α ] with the different factors α in as-grown material (α∼0.7) and irradiated samples (α∼0.3). The fracton dimension d s of disordered structure changes from 4.7 to 0.86 for as-grown and irradiated material, respectively, and it implies the percolative carrier motion on an infinite cluster of dislocations net in the as-grown material and cluster fragmentation into finite fractons after irradiations

Free Vastus Intermedius Muscle Flap: A Successful Alternative for Complex Reconstruction of the Neurocranium in Preoperated Patients.

Science.gov (United States)

Horn, Dominik; Freudlsperger, Christian; Berger, Moritz; Freier, Kolja; Ristow, Oliver; Hoffmann, Jürgen; Sakowitz, Oliver; Engel, Michael

2017-07-01

The reconstruction of large cranial and scalp defects is a surgical and esthetic challenge. Single autologous tissue transfer can be insufficient due to the defect size and the anatomic complexity of the recipient site. Alloplastic patient-specific preformed implants can be used to recover hard tissue defects of the neurocranium. Nevertheless, for long-term success adequate soft tissue support is required. In this brief clinical study, the authors describe calvarian reconstruction in a 33-year-old patient with wound healing disorder after an initial resection of ependymoma. The patient suffered from osteonecrosis and wound breakdown in the fronto-parietal region. An alloplastic polymethylmethacrylate implant for hard tissue support was manufactured based on 3-dimensional visualization of a computed tomography scan. After the resection of remaining pathologic bone from earlier surgical procedures, the alloplastic implant was inserted to achieve functional coverage of the brain. Due to anatomic variation of donor site vessels during anterolateral thigh flap preparation, the authors performed a vastus intermedius free flap as a new muscular flap for craniofacial reconstruction. The authors achieved excellent functional and esthetic results. The muscular vastus intermedius free flap in combination with a split skin graft proves to be a new alternative to the anterolateral thigh flap for soft tissue reconstruction of the neurocranium.

Theory of defects in Si and Ge: Past, present and recent developments

International Nuclear Information System (INIS)

Estreicher, S.K.; Backlund, D.; Gibbons, T.M.

2010-01-01

Over the past few decades, considerable progress has been achieved in the theoretical predictions of a wide range of properties of defects in semiconductors. In addition to structures, energetics, spin and charge densities, theory now routinely predicts accurate vibrational properties of defects, and thus connects to the optical characterization of light impurities. However, the positions of gap levels have yet to be predicted with systemically reliable accuracy. Today, supercells much larger than in the past are being used to describe defect centers from first principles. Systems large enough to study the dynamics of extended defects can be handled near the first-principles level. This paper contains a brief review of the key developments that have rendered theory quantitatively useful to experimentalists and an overview of the current 'state-of-the-art' and ongoing developments. Some of the remaining challenges are discussed, with examples in Si and Ge.

Interface-defect-mediated photocatalysis of mesocrystalline ZnO assembly synthesized in-situ via a template-free hydrothermal approach

Science.gov (United States)

Wang, Hui; Wang, Cuicui; Chen, Qifeng; Ren, Baosheng; Guan, Ruifang; Cao, Xiaofeng; Yang, Xiaopeng; Duan, Ran

2017-08-01

Both architecture construction and defects engineering of photocatalysts are highly vital in the photocatalytic activity. We report herein that the interface-defect-mediated photocatalytic activity of pompon-like ZnO (P-ZnO) mesocrystal photocatalyst synthesized via an aqueous approach, in the presence of sodium citrate without any other organic templates. The microstructure and defects of the diverse ZnO photocatalysts were examined with various techniques. The results indicated that the P-ZnO assemblies were composed of mesocrystal nanosheets exposed high energy (002) facet with high crystallinity. More importantly, the defects located at the interfaces among the nanocrystals in ZnO mesocrystals played an important role in the photocatalytic activity than that of interstitial zinc vacancies in bulk, which was confirmed by photocatalytic degradation of organic pollutants, such as methylene blue (MB) and 2,4,6-trichlorophenol (2,4,6-TCP). The results showed that the P-ZnO exhibited higher photocatalytic activity than that of the nanosized ZnO (N-ZnO), which could be attributed to not only the unique mesocrystal structure and high energy (002) facet exposed, but also the defects located at interfaces among nanocrystals in ZnO mesocrystals. In addition, the formation mechanism of the P-ZnO was investigated via a time-dependent method. It was found that the formation of P-ZnO hierarchical architecture assembled with ZnO mesocrystals involved a nonclassical crystallization growth and Ostwald Ripening process. This study provides a perspective on the improvement in photocatalytic activity via adjusting the bulk and interface defects and construction of hierarchical architectures of semiconductors.

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}.

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

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.

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.

Do attitudes toward societal structure predict beliefs about free will and achievement? Evidence from the Indian caste system.

Science.gov (United States)

Srinivasan, Mahesh; Dunham, Yarrow; Hicks, Catherine M; Barner, David

2016-01-01

Intuitive theories about the malleability of intellectual ability affect our motivation and achievement in life. But how are such theories shaped by the culture in which an individual is raised? We addressed this question by exploring how Indian children's and adults' attitudes toward the Hindu caste system--and its deterministic worldview--are related to differences in their intuitive theories. Strikingly, we found that, beginning at least in middle school and continuing into adulthood, individuals who placed more importance on caste were more likely to adopt deterministic intuitive theories. We also found a developmental change in the scope of this relationship, such that in children, caste attitudes were linked only to abstract beliefs about personal freedom, but that by adulthood, caste attitudes were also linked to beliefs about the potential achievement of members of different castes, personal intellectual ability, and personality attributes. These results are the first to directly relate the societal structure in which a person is raised to the specific intuitive theories they adopt. © 2015 John Wiley & Sons Ltd.

The study of defects in metallic alloys by positron annihilation spectroscopy

International Nuclear Information System (INIS)

Romero, R.; Salgueiro, W.; Somoza, A.

1990-01-01

Positron annihilation spectroscopy (PAS) has become in a very useful non destructive testing to the study of condensed matter. Specially, in the last two decades, with the advent of solid state detectors and high-resolution time spectrometers. The basic information obtained with PAS in solid-state physics is on electronic structure in free defect materials. However, positron annihilation techniques (lifetime, angular correlation and Doppler broadening) have been succesfully applied to study crystal lattice defects with lower-than-average electron density, such as vacancies, small vacancy clusters, etc.. In this sense, information about: vacancy formation and migration energies, dislocations, grain boundaries, solid-solid phase transformation and radiation damage was obtained. In this work the application of the positron lifetime technique to study the thermal effects on a fine-grained superplastic Al-Ca-Zn alloy and the quenched-in defects in monocrystals of β Cu-Zn-Al alloy for several quenching temperatures is shown. (Author) [es

Extended defects in epitaxial Sc2O3 films grown on (111) Si

International Nuclear Information System (INIS)

Klenov, Dmitri O.; Edge, Lisa F.; Schlom, Darrell G.; Stemmer, Susanne

2005-01-01

Epitaxial Sc 2 O 3 films with the cubic bixbyite structure were grown on (111) Si by reactive molecular beam epitaxy. High-resolution transmission electron microscopy (HRTEM) revealed an abrupt, reaction-layer free interface between Sc 2 O 3 and Si. The ∼10% lattice mismatch between Si and Sc 2 O 3 was relieved by the formation of a hexagonal misfit dislocation network with Burgers vectors of 1/2 Si and line directions parallel to Si . A high density of planar defects and threading dislocations was observed. Analysis of lattice shifts across the planar defects in HRTEM showed that these faults were likely antiphase boundaries (APBs). ABPs form when film islands coalesce during growth because films nucleate with no unique arrangement of the ordered oxygen vacancies in the bixbyite structure relative to the Si lattice

Point defects and atomic transport in crystals

International Nuclear Information System (INIS)

Lidiard, A.B.

1981-02-01

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

Actinic inspection of multilayer defects on EUV masks

International Nuclear Information System (INIS)

Barty, A; Liu, Y; Gullikson, E; Taylor, J S; Wood, O

2005-01-01

The production of defect-free mask blanks, and the development of techniques for inspecting and qualifying EUV mask blanks, remains a key challenge for EUV lithography. In order to ensure a reliable supply of defect-free mask blanks, it is necessary to develop techniques to reliably and accurately detect defects on un-patterned mask blanks. These inspection tools must be able to accurately detect all critical defects whilst simultaneously having the minimum possible false-positive detection rate. There continues to be improvement in high-speed non-actinic mask blank inspection tools, and it is anticipated that these tools can and will be used by industry to qualify EUV mask blanks. However, the outstanding question remains one of validating that non-actinic inspection techniques are capable of detecting all printable EUV defects. To qualify the performance of non-actinic inspection tools, a unique dual-mode EUV mask inspection system has been installed at the Advanced Light Source (ALS) synchrotron at Lawrence Berkeley National Laboratory. In high-speed inspection mode, whole mask blanks are scanned for defects using 13.5-nm wavelength light to identify and map all locations on the mask that scatter a significant amount of EUV light. In imaging, or defect review mode, a zone plate is placed in the reflected beam path to image a region of interest onto a CCD detector with an effective resolution on the mask of 100-nm or better. Combining the capabilities of the two inspection tools into one system provides the unique capability to determine the coordinates of native defects that can be used to compare actinic defect inspection with visible light defect inspection tools under commercial development, and to provide data for comparing scattering models for EUV mask defects

Defect free single crystal thin layer

KAUST Repository

Elafandy, Rami Tarek Mahmoud

2016-01-28

A gallium nitride film can be a dislocation free single crystal, which can be prepared by irradiating a surface of a substrate and contacting the surface with an etching solution that can selectively etch at dislocations.

Defect free single crystal thin layer

KAUST Repository

Elafandy, Rami Tarek Mahmoud; Ooi, Boon S.

2016-01-01

A gallium nitride film can be a dislocation free single crystal, which can be prepared by irradiating a surface of a substrate and contacting the surface with an etching solution that can selectively etch at dislocations.

Computer simulation of defect cluster

Energy Technology Data Exchange (ETDEWEB)

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

1996-04-01

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

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

Infrared computations of defect Schur indices

Energy Technology Data Exchange (ETDEWEB)

Córdova, Clay [School of Natural Sciences, Institute for Advanced Study,1 Einstein Dr., Princeton, NJ (United States); Gaiotto, Davide [Perimeter Institute for Theoretical Physics,31 Caroline St., Waterloo, Ontario, N2L 2Y5 (Canada); Shao, Shu-Heng [Jefferson Physical Laboratory, Harvard University,17 Oxford St., Cambridge, MA (United States); School of Natural Sciences, Institute for Advanced Study,1 Einstein Dr., Princeton, NJ (United States)

2016-11-18

We conjecture a formula for the Schur index of four-dimensional N=2 theories in the presence of boundary conditions and/or line defects, in terms of the low-energy effective Seiberg-Witten description of the system together with massive BPS excitations. We test our proposal in a variety of examples for SU(2) gauge theories, either conformal or asymptotically free. We use the conjecture to compute these defect-enriched Schur indices for theories which lack a Lagrangian description, such as Argyres-Douglas theories. We demonstrate in various examples that line defect indices can be expressed as sums of characters of the associated two-dimensional chiral algebra and that for Argyres-Douglas theories the line defect OPE reduces in the index to the Verlinde algebra.

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.

Phononic thermal conductivity in silicene: the role of vacancy defects and boundary scattering

Science.gov (United States)

Barati, M.; Vazifehshenas, T.; Salavati-fard, T.; Farmanbar, M.

2018-04-01

We calculate the thermal conductivity of free-standing silicene using the phonon Boltzmann transport equation within the relaxation time approximation. In this calculation, we investigate the effects of sample size and different scattering mechanisms such as phonon–phonon, phonon-boundary, phonon-isotope and phonon-vacancy defect. We obtain some similar results to earlier works using a different model and provide a more detailed analysis of the phonon conduction behavior and various mode contributions. We show that the dominant contribution to the thermal conductivity of silicene, which originates from the in-plane acoustic branches, is about 70% at room temperature and this contribution becomes larger by considering vacancy defects. Our results indicate that while the thermal conductivity of silicene is significantly suppressed by the vacancy defects, the effect of isotopes on the phononic transport is small. Our calculations demonstrate that by removing only one of every 400 silicon atoms, a substantial reduction of about 58% in thermal conductivity is achieved. Furthermore, we find that the phonon-boundary scattering is important in defectless and small-size silicene samples, especially at low temperatures.

Engineering Defect-Free Nanoporous Pd from Optimized Pd-Ni Precursor Alloy by Understanding Palladium-Hydrogen Interactions During Dealloying

Science.gov (United States)

Schoop, Julius; Balk, T. John

2014-04-01

Thin films of nanoporous palladium (np-Pd) were produced from binary palladium-nickel (Pd-Ni) precursor alloys. A suitable precursor alloy and a method of dealloying to yield optimum nanoporosity (average pore/ligament size of 7 nm) were developed by studying the effects of various processing parameters on final microstructure. To obtain crack-free np-Pd, a 100 nm thin film of 20 at. pct Pd (80 at. pct Ni) can be dealloyed for ~5 hours in a 1 M solution of sulfuric acid, with oleic acid and oleylamine added as surfactants. Both shorter and longer dealloying times, as well as heating, inhibit the formation of crack-free np-Pd. Stress measurements at different stages of dealloying revealed that the necessary dealloying time is determined by the diffusion-controlled corrosion reaction occurring within the thin film during dealloying. Strong interaction between hydrogen and np-Pd was reflected in the stress evolution during dealloying. A mechanism is proposed for the formation of a Ni-rich dense top layer that results from H-induced swelling during initial dealloying and permits the development of defect-free np-Pd beneath, by limiting the speed of dealloying.

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

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.

Reconstruction of the maxilla following hemimaxillectomy defects with scapular tip grafts and dental implants.

Science.gov (United States)

Mertens, Christian; Freudlsperger, Christian; Bodem, Jens; Engel, Michael; Hoffmann, Jürgen; Freier, Kolja

2016-11-01

Treatment of post-resective defects of the maxilla can be challenging and usually requires dental obturation or microvascular reconstruction. As compared to soft-tissue microvascular grafts, bone reconstruction can additionally allow for facial support and retention of dental implants. The aim of this study was to evaluate scapular tip grafts with respect to their applicability for maxillary reconstruction and their potential to retain dental implants for later dental rehabilitation. In this retrospective study, 14 patients with hemimaxillectomy defects were reconstructed with free scapular tip grafts, oriented horizontally, to rebuild the palate and alveolar ridge. After bone healing, three-dimensional virtual implant planning was performed, and a radiographic guide was fabricated to enable implant placement in the optimal anatomic and prosthetic position. All patients' mastication and speech were evaluated, along with the extent of defect closure, suitability of the graft sites for implant placement, and soft-tissue stability. Pre- and postsurgical radiographs were also evaluated. A good postoperative outcome was achieved in all patients, with complete closure of maxillary defects that were class II, according to the system of Brown and Shaw. Additional bone augmentation was necessary in two patients in order to increase vertical bone height. Patients were subsequently treated with 50 dental implants to retain dental prostheses. In all cases, additional soft-tissue surgery was necessary to achieve a long-term stable periimplant situation. No implants were lost during the mean observation period of 34 months. Due to its specific form, the scapular tip graft is well suited to reconstruct the palate and maxillary alveolar ridge and to enable subsequent implant-retained rehabilitation. Due to the limited bone volume, an accurate three-dimensional graft orientation is essential. Furthermore, most cases require additional soft-tissue surgery to achieve a long

Theoretical analysis of the influence of flexoelectric effect on the defect site in nematic inversion walls

International Nuclear Information System (INIS)

Zheng Gui-Li; Xuan Li; Zhang Hui; Ye Wen-Jiang; Zhang Zhi-Dong; Song Hong-Wei

2016-01-01

Based on the experimental phenomena of flexoelectric response at defect sites in nematic inversion walls conducted by Kumar et al., we gave the theoretical analysis using the Frank elastic theory. When a direct-current electric field normal to the plane of the substrate is applied to the parallel aligned nematic liquid crystal cell with weak anchoring, the rotation of ±1 defects in the narrow inversion walls can be exhibited. The free energy of liquid crystal molecules around the +1 and –1 defect sites in the nematic inversion walls under the electric field was formulated and the electric-field-driven structural changes at the defect site characterized by polar and azimuthal angles of the local director were simulated. The results reveal that the deviation of azimuthal angle induced by flexoelectric effect are consistent with the switching of extinction brushes at the +1 and −1 defects obtained in the experiment conducted by Kumar et al. (paper)

Structural analysis of gluten-free doughs by fractional rheological model

Science.gov (United States)

Orczykowska, Magdalena; Dziubiński, Marek; Owczarz, Piotr

2015-02-01

This study examines the effects of various components of tested gluten-free doughs, such as corn starch, amaranth flour, pea protein isolate, and cellulose in the form of plantain fibers on rheological properties of such doughs. The rheological properties of gluten-free doughs were assessed by using the rheological fractional standard linear solid model (FSLSM). Parameter analysis of the Maxwell-Wiechert fractional derivative rheological model allows to state that gluten-free doughs present a typical behavior of viscoelastic quasi-solid bodies. We obtained the contribution dependence of each component used in preparations of gluten-free doughs (either hard-gel or soft-gel structure). The complicate analysis of the mechanical structure of gluten-free dough was done by applying the FSLSM to explain quite precisely the effects of individual ingredients of the dough on its rheological properties.

Gaussian free turbulence: structures and relaxation in plasma models

International Nuclear Information System (INIS)

Gruzinov, A.V.

1993-01-01

Free-turbulent relaxation in two-dimensional MHD, the degenerate Hasegawa-Mima equation and a two-dimensional microtearing model are studied. The Gibbs distributions of these three systems can be completely analyzed, due to the special structure of their invariants and due to the existence of ultraviolet catastrophe. The free-turbulent field is seen to be a sum of a certain coherent structure (statistical attractor) and Gaussian random noise. Two-dimensional current layers are shown to be statistical attractors in 2D MHD. (author)

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.

Experimental studies of free defect generation during irradiation: Implications for reactor environments

International Nuclear Information System (INIS)

Rehn, L.E.; Birtcher, R.C.

1993-01-01

Over the past several years, systematic experiments have revealed that irradiations which generate energetically dense cascades are much less effective than light-ion, MeV electron, or thermal neutron irradiations at producing freely-migrating defects. In this paper, the systematic results on freely-migrating defect production from ion irradiation studies are briefly summarized. Difficulties with applying a simple extrapolation of the ion-irradiation results to neutron environments are discussed. This discussion, coupled with our existing knowledge of neutron-induced property changes, indicates that Compton scattering, and the (n,γ), (n,He) and (n,p) nuclear reactions, are considerably more important for producing freely-migrating defects than was previously realized

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

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.

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.

Defect engineering for 650 nm high-power AlGaInP laser diodes

International Nuclear Information System (INIS)

Kim, D.S.; Kim, K.C.; Shin, Y.C.; Kang, D.H.; Kim, B.J.; Kim, Y.M.; Park, Y.; Kim, T.G.

2006-01-01

To find the optimal growth and annealing conditions for high-power 650 nm band AlGaInP laser diodes, we carried out defect engineering, in which the distribution and density of deep level defects of the laser structure was analyzed. For this purpose, deep level transient spectroscopy (DLTS) measurements were carried out for each layer of the 650 nm band AlGaInP laser. By layer optimization at growth and annealing conditions, the laser diode was able operate stably and kink-free at high power over 220 mW at 70 deg. C. The characteristic temperatures (T ) were 212 K for 25-60 deg. C and 106 K over 60 deg. C

Total, added, and free sugars: are restrictive guidelines science-based or achievable?

Science.gov (United States)

Erickson, Jennifer; Slavin, Joanne

2015-04-15

Sugar consumption, especially added sugars, is under attack. Various government and health authorities have suggested new sugar recommendations and guidelines as low as 5% of total calories from free sugars. Definitions for total sugars, free sugars, and added sugars are not standardized, nor are there accepted nutrient databases for this information. Our objective was to measure total sugars and added sugars in sample meal plans created by the United States Department of Agriculture (USDA) and the Academy of Nutrition and Dietetics (AND). Utilizing the Nutrition Data System for Research (NDSR) nutritional database, results found that plans created by the USDA and AND averaged 5.1% and 3.1% calories from added sugar, 8.7% and 3.1% from free sugar, and 23.3% and 21.1% as total sugars respectively. Compliance with proposed added sugar recommendations would require strict dietary compliance and may not be sustainable for many Americans. Without an accepted definition and equation for calculating added sugar, added sugar recommendations are arbitrary and may reduce intakes of nutrient-rich, recommended foods, such as yogurt, whole grains, and tart fruits including cranberries, cherries, and grapefruit. Added sugars are one part of excess calorie intake; however, compliance with low added sugar recommendations may not be achievable for the general public.

Total, Added, and Free Sugars: Are Restrictive Guidelines Science-Based or Achievable?

Directory of Open Access Journals (Sweden)

Jennifer Erickson

2015-04-01

Full Text Available Sugar consumption, especially added sugars, is under attack. Various government and health authorities have suggested new sugar recommendations and guidelines as low as 5% of total calories from free sugars. Definitions for total sugars, free sugars, and added sugars are not standardized, nor are there accepted nutrient databases for this information. Our objective was to measure total sugars and added sugars in sample meal plans created by the United States Department of Agriculture (USDA and the Academy of Nutrition and Dietetics (AND. Utilizing the Nutrition Data System for Research (NDSR nutritional database, results found that plans created by the USDA and AND averaged 5.1% and 3.1% calories from added sugar, 8.7% and 3.1% from free sugar, and 23.3% and 21.1% as total sugars respectively. Compliance with proposed added sugar recommendations would require strict dietary compliance and may not be sustainable for many Americans. Without an accepted definition and equation for calculating added sugar, added sugar recommendations are arbitrary and may reduce intakes of nutrient-rich, recommended foods, such as yogurt, whole grains, and tart fruits including cranberries, cherries, and grapefruit. Added sugars are one part of excess calorie intake; however, compliance with low added sugar recommendations may not be achievable for the general public.

Impurity Role In Mechanically Induced Defects

International Nuclear Information System (INIS)

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

2000-01-01

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

Improvement of quality of 3D printed objects by elimination of microscopic structural defects in fused deposition modeling.

Directory of Open Access Journals (Sweden)

Evgeniy G Gordeev

Full Text Available Additive manufacturing with fused deposition modeling (FDM is currently optimized for a wide range of research and commercial applications. The major disadvantage of FDM-created products is their low quality and structural defects (porosity, which impose an obstacle to utilizing them in functional prototyping and direct digital manufacturing of objects intended to contact with gases and liquids. This article describes a simple and efficient approach for assessing the quality of 3D printed objects. Using this approach it was shown that the wall permeability of a printed object depends on its geometric shape and is gradually reduced in a following series: cylinder > cube > pyramid > sphere > cone. Filament feed rate, wall geometry and G-code-defined wall structure were found as primary parameters that influence the quality of 3D-printed products. Optimization of these parameters led to an overall increase in quality and improvement of sealing properties. It was demonstrated that high quality of 3D printed objects can be achieved using routinely available printers and standard filaments.

Defect engineering in 1D Ti-W oxide nanotube arrays and their correlated photoelectrochemical performance.

Science.gov (United States)

Abdelhafiz, Ali A; Ganzoury, Mohamed A; Amer, Ahmad W; Faiad, Azza A; Khalifa, Ahmed M; AlQaradawi, Siham Y; El-Sayed, Mostafa A; Alamgir, Faisal M; Allam, Nageh K

2018-04-18

Understanding the nature of interfacial defects of materials is a critical undertaking for the design of high-performance hybrid electrodes for photocatalysis applications. Theoretical and computational endeavors to achieve this have touched boundaries far ahead of their experimental counterparts. However, to achieve any industrial benefit out of such studies, experimental validation needs to be systematically undertaken. In this sense, we present herein experimental insights into the synergistic relationship between the lattice position and oxidation state of tungsten ions inside a TiO2 lattice, and the respective nature of the created defect states. Consequently, a roadmap to tune the defect states in anodically-fabricated, ultrathin-walled W-doped TiO2 nanotubes is proposed. Annealing the nanotubes in different gas streams enabled the engineering of defects in such structures, as confirmed by XRD and XPS measurements. While annealing under hydrogen stream resulted in the formation of abundant Wn+ (n < 6) ions at the interstitial sites of the TiO2 lattice, oxygen- and air-annealing induced W6+ ions at substitutional sites. EIS and Mott-Schottky analyses indicated the formation of deep-natured trap states in the hydrogen-annealed samples, and predominantly shallow donating defect states in the oxygen- and air-annealed samples. Consequently, the photocatalytic performance of the latter was significantly higher than those of the hydrogen-annealed counterparts. Upon increasing the W content, photoelectrochemical performance deteriorated due to the formation of WO3 crystallites that hindered charge transfer through the photoanode, as evident from the structural and chemical characterization. To this end, this study validates the previous theoretical predictions on the detrimental effect of interstitial W ions. In addition, it sheds light on the importance of defect states and their nature for tuning the photoelectrochemical performance of the investigated materials.

Characterisation and modelling of defect formation in direct-chill cast AZ80 alloy

Energy Technology Data Exchange (ETDEWEB)

Mackie, D.; Robson, J.D.; Withers, P.J. [School of Materials, University of Manchester, Manchester M13 9PL (United Kingdom); Turski, M. [Magnesium Elektron UK, Rake Lane, Manchester, M27 8BF (United Kingdom)

2015-06-15

Wrought magnesium alloys for demanding structural applications require high quality defect free cast feedstock. The aim of this study was to first identify and characterise typical defects in direct chill cast magnesium–aluminium–zinc (AZ) alloy billet and then use modelling to understand the origins of these defects so they can be prevented. Defects were first located using ultrasonic inspection and were then characterised using X-ray computed tomography (XCT) and serial sectioning, establishing the presence of oxide films and intermetallic particles Al{sub 8}Mn{sub 5} in all defects. A model was developed to predict the flow patterns and growth kinetics of the intermetallic phases during casting, which influence the formation of defects. Simulation of the growth of the intermetallic particles demonstrated that precipitation from the liquid occurs in the mould. The combination of the entrained oxide films and intermetallic particles recirculates in the liquid metal and continues to grow, until large enough to settle, which is predicted to occur at the centre of the mould where the flow is the slowest. Based on these predictions, strategies to reduce the susceptibility to defect formation are suggested. - Highlights: • Casting defects in magnesium direct chill casting have been imaged and characterised in 3-dimensions. • The occurrences of co-located clusters of particles and oxide films have been characterised and explained. • A coupled model has been developed to help interpret the observed trend for defects located towards the centre of billets.

Characterisation and modelling of defect formation in direct-chill cast AZ80 alloy

International Nuclear Information System (INIS)

Mackie, D.; Robson, J.D.; Withers, P.J.; Turski, M.

2015-01-01

Wrought magnesium alloys for demanding structural applications require high quality defect free cast feedstock. The aim of this study was to first identify and characterise typical defects in direct chill cast magnesium–aluminium–zinc (AZ) alloy billet and then use modelling to understand the origins of these defects so they can be prevented. Defects were first located using ultrasonic inspection and were then characterised using X-ray computed tomography (XCT) and serial sectioning, establishing the presence of oxide films and intermetallic particles Al 8 Mn 5 in all defects. A model was developed to predict the flow patterns and growth kinetics of the intermetallic phases during casting, which influence the formation of defects. Simulation of the growth of the intermetallic particles demonstrated that precipitation from the liquid occurs in the mould. The combination of the entrained oxide films and intermetallic particles recirculates in the liquid metal and continues to grow, until large enough to settle, which is predicted to occur at the centre of the mould where the flow is the slowest. Based on these predictions, strategies to reduce the susceptibility to defect formation are suggested. - Highlights: • Casting defects in magnesium direct chill casting have been imaged and characterised in 3-dimensions. • The occurrences of co-located clusters of particles and oxide films have been characterised and explained. • A coupled model has been developed to help interpret the observed trend for defects located towards the centre of billets

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.

Free-style puzzle flap: the concept of recycling a perforator flap.

Science.gov (United States)

Feng, Kuan-Ming; Hsieh, Ching-Hua; Jeng, Seng-Feng

2013-02-01

Theoretically, a flap can be supplied by any perforator based on the angiosome theory. In this study, the technique of free-style perforator flap dissection was used to harvest a pedicled or free skin flap from a previous free flap for a second difficult reconstruction. The authors call this a free-style puzzle flap. For the past 3 years, the authors treated 13 patients in whom 12 pedicled free-style puzzle flaps were harvested from previous redundant free flaps and recycled to reconstruct soft-tissue defects at various anatomical locations. One free-style free puzzle flap was harvested from a previous anterolateral thigh flap for buccal cancer to reconstruct a foot defect. Total flap survival was attained in 12 of 13 flaps. One transferred flap failed completely. This patient had received postoperative radiotherapy after the initial cancer ablation and free anterolateral thigh flap reconstruction. Another free flap was used to close and reconstruct the wound. All the donor sites could be closed primarily. The free-style puzzle flap, harvested from a previous redundant free flap and used as a perforator flap to reconstruct a new defect, has proven to be versatile and reliable. When indicated, it is an alternative donor site for further reconstruction of soft-tissue defects.

Vibrational characteristics of FRP-bonded concrete interfacial defects in a low frequency regime

Science.gov (United States)

Cheng, Tin Kei; Lau, Denvid

2014-04-01

As externally bonded fiber-reinforced polymer (FRP) is a critical load-bearing component of strengthened or retrofitted civil infrastructures, the betterment of structural health monitoring (SHM) methodology for such composites is imperative. Henceforth the vibrational characteristics of near surface interfacial defects involving delamination and trapped air pockets at the FRP-concrete interface are investigated in this study using a finite element approach. Intuitively, due to its lower interfacial stiffness compared with an intact interface, a damaged region is expected to have a set of resonance frequencies different from an intact region when excited by acoustic waves. It has been observed that, when excited acoustically, both the vibrational amplitudes and frequency peaks in the response spectrum of the defects demonstrate a significant deviation from an intact FRP-bonded region. For a thin sheet of FRP bonded to concrete with sizable interfacial defects, the fundamental mode under free vibration is shown to be relatively low, in the order of kHz. Due to the low resonance frequencies of the defects, the use of low-cost equipment for interfacial defect detection via response spectrum analysis is highly feasible.

Neutron cross sections for defect production by high-energy displacement cascades in copper

International Nuclear Information System (INIS)

Heinisch, H.L.; Mann, F.M.

1983-08-01

Defect production cross sections for copper have been devised, based on computer simulations of displacement cascades. One thousand cascades ranging in energy from 200 eV to 200 keV were generated with the MARLOWE computer code. The cascades were subjected to a semi-empirical cascade quenching procedure and to short-term annealing with the ALSOME computer code. Functions were fitted to the numbers of defects produced as a function of primary knock-on atom (PKA) damage energy for the following defect types: 1) the total number of point defects after quenching and after short-term annealing, 2) the numbers of free interstitials and free vacancies after shortterm annealing, and 3) the numbers and sizes of vacancy and interstitial clusters after shortterm annealing. In addition, a function describing the number of distinct damage regions (lobes) per cascade was fitted to results of a graphical analysis of the cascade configurations. The defect production functions have been folded into PKA spectra using the NJOY nuclear data processing code system with ENDF/B-V nuclear data to yield neutron cross sections for defect production in copper. The free vacancy cross section displays much less variation with neutron energy than the cross sections for damage energy or total point defects

Neutron cross sections for defect production by high energy displacement cascades in copper

International Nuclear Information System (INIS)

Heinisch, H.L.; Mann, F.M.

1984-01-01

Defect production cross sections for copper have been devised, based on computer simulations of displacement cascades. One thousand cascades ranging in energy from 200 eV to 200 keV were generated with the MARLOWE computer code. The cascades were subjected to a semi-empirical cascade quenching procedure and to short-term annealing with the ALSOME computer code. Functions were fitted to the numbers of defects produced as a function of primary knock-on atom (PKA) damage energy for the following defect types: 1) the total number of point defects after quenching and after short-term annealing, 2) the numbers of free interstitials and free vacancies after short-term annealing, and 3) the numbers and sizes of vacancy and interstitial clusters after short-term annealing. In addition, a function describing the number of distinct damage regions (lobes) per cascade was fitted to results of a graphical analysis of the cascade configurations. The defect production functions have been folded into PKA spectra using the NJOY nuclear data processing code system with ENDF/B-V nuclear data to yield neutron cross sections for defect production in copper. The free vacancy cross section displays much less variation with neutron energy than the cross sections for damage energy or total point defects. (orig.)

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.

Simulation of Defect Reduction in Block Copolymer Thin Films by Solvent Annealing

Energy Technology Data Exchange (ETDEWEB)

Hur, Su-Mi; Khaira, Gurdaman S.; Ramírez-Hernández, Abelardo; Müller, Marcus; Nealey, Paul F.; de Pablo, Juan J.

2015-01-20

Solvent annealing provides an effective means to control the self-assembly of block copolymer (BCP) thin films. Multiple effects, including swelling, shrinkage, and morphological transitions, act in concert to yield ordered or disordered structures. The current understanding of these processes is limited; by relying on a theoretically informed coarse-grained model of block copolymers, a conceptual framework is presented that permits prediction and rationalization of experimentally observed behaviors. Through proper selection of several process conditions, it is shown that a narrow window of solvent pressures exists over which one can direct a BCP material to form well-ordered, defect-free structures.

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)

Epidemic spreading in weighted scale-free networks with community structure

International Nuclear Information System (INIS)

Chu, Xiangwei; Guan, Jihong; Zhang, Zhongzhi; Zhou, Shuigeng

2009-01-01

Many empirical studies reveal that the weights and community structure are ubiquitous in various natural and artificial networks. In this paper, based on the SI disease model, we investigate the epidemic spreading in weighted scale-free networks with community structure. Two exponents, α and β, are introduced to weight the internal edges and external edges, respectively; and a tunable probability parameter q is also introduced to adjust the strength of community structure. We find the external weighting exponent β plays a much more important role in slackening the epidemic spreading and reducing the danger brought by the epidemic than the internal weighting exponent α. Moreover, a novel result we find is that the strong community structure is no longer helpful for slackening the danger brought by the epidemic in the weighted cases. In addition, we show the hierarchical dynamics of the epidemic spreading in the weighted scale-free networks with communities which is also displayed in the famous BA scale-free networks

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)

Defect engineering of mesoporous nickel ferrite and its application for highly enhanced water oxidation catalysis

Energy Technology Data Exchange (ETDEWEB)

Yue, Qiudi; Liu, Cunming; Wan, Yangyang; Wu, Xiaojun; Zhang, Xiaoyi; Du, Pingwu

2018-02-01

Spinel nickel ferrite (NiFe2O4) emerges as a promising low-cost catalyst for water splitting but it usually shows low catalytic activity because of its limited number of active sites and poor conductivity. For the first time, herein we have successfully overcome its weaknesses using defect engineering approach by creating oxygen vacancies in NiFe2O4. The existence of oxygen vacancy not only shifts up the d-band center, strengthens the adsorption of H2O, and thus provides more active catalytic sites, but also tunes the electron configuration and creates massive number of defective donor states in the band gap to facilitate charge transfer processes. The optimal defective catalyst showed significantly enhanced catalytic OER performance with an OER overpotential as low as 0.35 V at 10 mA cm-2 and a Tafel slope of only ~40 mV dec-1. Moreover, the impressive specific mass and area current density of 17.5 A g-1 and 0.106 A m-2 at 1.58 V vs. RHE have been achieved, which are ~23 and ~36 times higher than that of defect-free counterpart, respectively.

CD and defect improvement challenges for immersion processes

Science.gov (United States)

Ehara, Keisuke; Ema, Tatsuhiko; Yamasaki, Toshinari; Nakagawa, Seiji; Ishitani, Seiji; Morita, Akihiko; Kim, Jeonghun; Kanaoka, Masashi; Yasuda, Shuichi; Asai, Masaya

2009-03-01

The intention of this study is to develop an immersion lithography process using advanced track solutions to achieve world class critical dimension (CD) and defectivity performance in a state of the art manufacturing facility. This study looks at three important topics for immersion lithography: defectivity, CD control, and wafer backside contamination. The topic of defectivity is addressed through optimization of coat, develop, and rinse processes as well as implementation of soak steps and bevel cleaning as part of a comprehensive defect solution. Develop and rinse processing techniques are especially important in the effort to achieve a zero defect solution. Improved CD control is achieved using a biased hot plate (BHP) equipped with an electrostatic chuck. This electrostatic chuck BHP (eBHP) is not only able to operate at a very uniform temperature, but it also allows the user to bias the post exposure bake (PEB) temperature profile to compensate for systematic within-wafer (WiW) CD non-uniformities. Optimized CD results, pre and post etch, are presented for production wafers. Wafer backside particles can cause focus spots on an individual wafer or migrate to the exposure tool's wafer stage and cause problems for a multitude of wafers. A basic evaluation of the cleaning efficiency of a backside scrubber unit located on the track was performed as a precursor to a future study examining the impact of wafer backside condition on scanner focus errors as well as defectivity in an immersion scanner.

Computational study of the structure-free radical scavenging relationship of procyanidins.

Science.gov (United States)

Mendoza-Wilson, Ana María; Castro-Arredondo, Sergio Ivan; Balandrán-Quintana, René Renato

2014-10-15

Procyanidins (PCs) are effective free radical scavengers, however, their antioxidant ability is variable because they have different degrees of polymerisation, are composed by distinct types of subunits and are very susceptible to changes in conformation. In this work the structure-free radical scavenging relationship of monomers, dimers and trimers of PCs was studied through the hydrogen atom transfer (HAT), sequential proton-loss electron-transfer (SPLET) and single electron transfer followed by proton transfer (SET-PT) mechanisms in aqueous phase, employing the Density Functional Theory (DFT) computational method. The structure-free radical scavenging relationship of PCs showed a very similar behaviour in HAT and SET-PT mechanisms, but very different in the SPLET mechanism. The structural factor that showed more effects on the ability of PCs to scavenge free radicals in aqueous phase was the conformation. Copyright © 2014 Elsevier Ltd. All rights reserved.

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.

[Clinical study of full-thickness skin graft for reconstruction of completely defect nail unit].

Science.gov (United States)

Li, Wen-jun; Li, Chun; Zhu, Jin; Tian, Guang-lei; Chen, Shan-lin; Tian, Wen

2012-12-18

To explore a reconstruction method for complete nail bed defect caused by various kinds of reasons and to retrospectively analyze the effect of application of free full-thickness skin graft for the whole nail unit repair. Between Apr. 2010 and Mar. 2012, the method of free full-thickness skin graft was done for reconstruction of the completely nail unit defect in seven cases. There were 2 male and 5 female patients; the mean age of these patients at the time of surgery was 51.9 years (range: 7 to 70 years). The preoperative diagnoses included two cases of malignant melanoma, one of chronic infection, one of squamous cell carcinoma, two of subungual pigmentation and one of junctional nevus. There were 2 thumb lesions, 3 middle and 2 index finger lesions. Nail unit defect was in the range of 1.5 cm×2 cm to 2.5 cm × 3.5 cm and full thickness skin graft was harvested from the same medial side of upper arm (3 cases), forearm cubital fossa (1 case) and contralateral side of groin region (3 cases). All the patients were followed with an average follow-up time being 10 months. All the free skin graft taken was achieved with 100% in all the 7 cases, even in those patients whose partial cortical bone had been curetted. The skin graft was often bluish initially, and superficial blisters were always noticed within 1.5 months postoperatively and the survival skin graft was smooth eventually, and skin graft was adhered to the underlying bone tightly. There was no epidermal inclusion cyst and no residual nail formation. The skin donor sites were without complications. Aesthetic appearance was assessed by the surgeons and found no unacceptable for their patients. And all the patients were satisfied with the cosmetic appearance and active range of motion of their involved fingers, who did not express a desire to undergo any further of nail reconstruction. Free full-thickness skin grafting for reconstruction of the complete nail unit defect is a simple, safe and effective

Quantum computing with defects.

Science.gov (United States)

Weber, J R; Koehl, W F; Varley, J B; Janotti, A; Buckley, B B; Van de Walle, C G; Awschalom, D D

2010-05-11

Identifying and designing physical systems for use as qubits, the basic units of quantum information, are critical steps in the development of a quantum computer. Among the possibilities in the solid state, a defect in diamond known as the nitrogen-vacancy (NV(-1)) center stands out for its robustness--its quantum state can be initialized, manipulated, and measured with high fidelity at room temperature. Here we describe how to systematically identify other deep center defects with similar quantum-mechanical properties. We present a list of physical criteria that these centers and their hosts should meet and explain how these requirements can be used in conjunction with electronic structure theory to intelligently sort through candidate defect systems. To illustrate these points in detail, we compare electronic structure calculations of the NV(-1) center in diamond with those of several deep centers in 4H silicon carbide (SiC). We then discuss the proposed criteria for similar defects in other tetrahedrally coordinated semiconductors.

Phase-enhanced defect sensitivity for EUV mask inspection

Science.gov (United States)

Wang, Yow-Gwo; Miyakawa, Ryan; Chao, Weilun; Goldberg, Kenneth; Neureuther, Andy; Naulleau, Patrick

2014-10-01

In this paper, we present a complete study on mask blank and patterned mask inspection utilizing the Zernike phase contrast method. The Zernike phase contrast method provides in-focus inspection ability to study phase defects with enhanced defect sensitivity. However, the 90 degree phase shift in the pupil will significantly reduce the amplitude defect signal at focus. In order to detect both types of defects with a single scan, an optimized phase shift instead of 90 degree on the pupil plane is proposed to achieve an acceptable trade-off on their signal strengths. We can get a 70% of its maximum signal strength at focus for both amplitude and phase defects with a 47 degree phase shift. For SNR, the tradeoff between speckle noise and signal strength has to be considered. The SNR of phase and amplitude defects at focus can both reach 11 with 13 degree phase shift and 50% apodization. Moreover, the simulation results on patterned mask inspection of partially hidden phase defects with die-to-database inspection approach on the blank inspection tool show that the improvement of the Zernike phase method is more limited. A 40% enhancement of peak signal strength can be achieved with the Zernike phase contrast method when the defect is centered in the space, while the enhancement drops to less than 10% when it is beneath the line.

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.

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

Science.gov (United States)

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

2015-10-05

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

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

Scale-free crystallization of two-dimensional complex plasmas: Domain analysis using Minkowski tensors

Science.gov (United States)

Böbel, A.; Knapek, C. A.; Räth, C.

2018-05-01

Experiments of the recrystallization processes in two-dimensional complex plasmas are analyzed to rigorously test a recently developed scale-free phase transition theory. The "fractal-domain-structure" (FDS) theory is based on the kinetic theory of Frenkel. It assumes the formation of homogeneous domains, separated by defect lines, during crystallization and a fractal relationship between domain area and boundary length. For the defect number fraction and system energy a scale-free power-law relation is predicted. The long-range scaling behavior of the bond-order correlation function shows clearly that the complex plasma phase transitions are not of the Kosterlitz, Thouless, Halperin, Nelson, and Young type. Previous preliminary results obtained by counting the number of dislocations and applying a bond-order metric for structural analysis are reproduced. These findings are supplemented by extending the use of the bond-order metric to measure the defect number fraction and furthermore applying state-of-the-art analysis methods, allowing a systematic testing of the FDS theory with unprecedented scrutiny: A morphological analysis of lattice structure is performed via Minkowski tensor methods. Minkowski tensors form a complete family of additive, motion covariant and continuous morphological measures that are sensitive to nonlinear properties. The FDS theory is rigorously confirmed and predictions of the theory are reproduced extremely well. The predicted scale-free power-law relation between defect fraction number and system energy is verified for one more order of magnitude at high energies compared to the inherently discontinuous bond-order metric. It is found that the fractal relation between crystalline domain area and circumference is independent of the experiment, the particular Minkowski tensor method, and the particular choice of parameters. Thus, the fractal relationship seems to be inherent to two-dimensional phase transitions in complex plasmas. Minkowski

Inflaton fluctuations in the presence of cosmological defects

Science.gov (United States)

Cho, Hing-Tong; Ng, Kin-Wang; Wang, I.-Chin

2014-11-01

We study quantum fluctuations of a free massless scalar field during inflation in the presence of a point, line, or plane defect such as a black hole, cosmic string, or domain wall, using a perturbative expansion in powers of small defect parameters. We provide results for the scalar two-point correlation functions that show explicitly a small violation of translational invariance during inflation.

Band structures of phononic crystal composed of lattices with different periodic constants

International Nuclear Information System (INIS)

Hu, Jia-Guang; Xu, Wen

2014-01-01

With a square lattice mercury and water system being as the model, the band structures of nesting and compound phononic crystals with two different lattice constants were investigated using the method of the supercell plane wave expansion. It was observed that large band gaps can be achieved in low frequency regions by adjusting one of the lattice constants. Meanwhile, effects similar to interstitial impurity defects can be achieved with the increase of lattice constant of the phononic crystal. The corresponding defect modes can be stimulated in band gaps. The larger the lattice constant, the stronger the localization effect of defect modes on the wave. In addition, the change of the filling fraction of impurity exerts great influence on the frequency and localization of defect modes. Furthermore, the change of the position of impurity has notable influence on the frequency of defect modes and their localization. However, the geometry structure and orientation of impurity have little effect on the frequency of defect modes and their localization in the band gap.

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/

An improved PSO-SVM model for online recognition defects in eddy current testing

Science.gov (United States)

Liu, Baoling; Hou, Dibo; Huang, Pingjie; Liu, Banteng; Tang, Huayi; Zhang, Wubo; Chen, Peihua; Zhang, Guangxin

2013-12-01

Accurate and rapid recognition of defects is essential for structural integrity and health monitoring of in-service device using eddy current (EC) non-destructive testing. This paper introduces a novel model-free method that includes three main modules: a signal pre-processing module, a classifier module and an optimisation module. In the signal pre-processing module, a kind of two-stage differential structure is proposed to suppress the lift-off fluctuation that could contaminate the EC signal. In the classifier module, multi-class support vector machine (SVM) based on one-against-one strategy is utilised for its good accuracy. In the optimisation module, the optimal parameters of classifier are obtained by an improved particle swarm optimisation (IPSO) algorithm. The proposed IPSO technique can improve convergence performance of the primary PSO through the following strategies: nonlinear processing of inertia weight, introductions of the black hole and simulated annealing model with extremum disturbance. The good generalisation ability of the IPSO-SVM model has been validated through adding additional specimen into the testing set. Experiments show that the proposed algorithm can achieve higher recognition accuracy and efficiency than other well-known classifiers and the superiorities are more obvious with less training set, which contributes to online application.

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...

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.

Free flap reconstructions of tibial fractures complicated after internal fixation.

Science.gov (United States)

Nieminen, H; Kuokkanen, H; Tukiainen, E; Asko-Seljavaara, S

1995-04-01

The cases of 15 patients are presented where microvascular soft-tissue reconstructions became necessary after internal fixation of tibial fractures. Primarily, seven of the fractures were closed. Eleven fractures had originally been treated by open reduction and internal fixation using plates and screws, and four by intramedullary nailing. All of the patients suffered from postoperative complications leading to exposure of the bone or fixation material. The internal fixation material was removed and radical revision of dead and infected tissue was carried out in all cases. Soft tissue reconstruction was performed using a free microvascular muscle flap (11 latissimus dorsi, three rectus abdominis, and one gracilis). In eight cases the nonunion of the fracture indicated external fixation. The microvascular reconstruction was successful in all 15 patients. In one case the recurrence of deep infection finally indicated a below-knee amputation. In another case, chronic infection with fistulation recurred postoperatively. After a mean follow-up of 26 months the soft tissue coverage was good in all the remaining 13 cases. All the fractures united. Microvascular free muscle flap reconstruction of the leg is regarded as a reliable method for salvaging legs with large soft-tissue defects or defects in the distal leg. If after internal fixation of the tibial fracture the osteosynthesis material or fracture is exposed, reconstruction of the soft-tissue can successfully be performed by free flap transfer. By radical revision, external fixation, bone grafting, and a free flap the healing of the fracture can be achieved.

Binding free energy analysis of protein-protein docking model structures by evERdock.

Science.gov (United States)

Takemura, Kazuhiro; Matubayasi, Nobuyuki; Kitao, Akio

2018-03-14

To aid the evaluation of protein-protein complex model structures generated by protein docking prediction (decoys), we previously developed a method to calculate the binding free energies for complexes. The method combines a short (2 ns) all-atom molecular dynamics simulation with explicit solvent and solution theory in the energy representation (ER). We showed that this method successfully selected structures similar to the native complex structure (near-native decoys) as the lowest binding free energy structures. In our current work, we applied this method (evERdock) to 100 or 300 model structures of four protein-protein complexes. The crystal structures and the near-native decoys showed the lowest binding free energy of all the examined structures, indicating that evERdock can successfully evaluate decoys. Several decoys that show low interface root-mean-square distance but relatively high binding free energy were also identified. Analysis of the fraction of native contacts, hydrogen bonds, and salt bridges at the protein-protein interface indicated that these decoys were insufficiently optimized at the interface. After optimizing the interactions around the interface by including interfacial water molecules, the binding free energies of these decoys were improved. We also investigated the effect of solute entropy on binding free energy and found that consideration of the entropy term does not necessarily improve the evaluations of decoys using the normal model analysis for entropy calculation.

Effects of a Gluten-Free Diet on Rate of Achievement in Autistic Children in an Applied Behavioral Analysis Program.

Science.gov (United States)

Gemmell, Melissa; Chambliss, Catherine

This study used both between-subjects and within-subjects analyses to examine the effects of a gluten-free diet on the academic achievement of autistic children. The between-subjects analysis included data from eight autistic children (ages 5 to 7) with four on a gluten-free diet and four serving as controls. The number of attempts needed before…

Knot soliton in DNA and geometric structure of its free-energy density.

Science.gov (United States)

Wang, Ying; Shi, Xuguang

2018-03-01

In general, the geometric structure of DNA is characterized using an elastic rod model. The Landau model provides us a new theory to study the geometric structure of DNA. By using the decomposition of the arc unit in the helical axis of DNA, we find that the free-energy density of DNA is similar to the free-energy density of a two-condensate superconductor. By using the φ-mapping topological current theory, the torus knot soliton hidden in DNA is demonstrated. We show the relation between the geometric structure and free-energy density of DNA and the Frenet equations in differential geometry theory are considered. Therefore, the free-energy density of DNA can be expressed by the curvature and torsion of the helical axis.

Metastable and bistable defects in silicon

International Nuclear Information System (INIS)

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

2000-01-01

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

Visual Field Defects and Retinal Ganglion Cell Losses in Human Glaucoma Patients

Science.gov (United States)

Harwerth, Ronald S.; Quigley, Harry A.

2007-01-01

Objective The depth of visual field defects are correlated with retinal ganglion cell densities in experimental glaucoma. This study was to determine whether a similar structure-function relationship holds for human glaucoma. Methods The study was based on retinal ganglion cell densities and visual thresholds of patients with documented glaucoma (Kerrigan-Baumrind, et al.) The data were analyzed by a model that predicted ganglion cell densities from standard clinical perimetry, which were then compared to histologic cell counts. Results The model, without free parameters, produced accurate and relatively precise quantification of ganglion cell densities associated with visual field defects. For 437 sets of data, the unity correlation for predicted vs. measured cell densities had a coefficient of determination of 0.39. The mean absolute deviation of the predicted vs. measured values was 2.59 dB, the mean and SD of the distribution of residual errors of prediction was -0.26 ± 3.22 dB. Conclusions Visual field defects by standard clinical perimetry are proportional to neural losses caused by glaucoma. Clinical Relevance The evidence for quantitative structure-function relationships provides a scientific basis of interpreting glaucomatous neuropathy from visual thresholds and supports the application of standard perimetry to establish the stage of the disease. PMID:16769839

Reconstruction of the Lower Extremity Using Free Flaps

Directory of Open Access Journals (Sweden)

Min Jo Kang

2013-09-01

Full Text Available Background The aim of lower-extremity reconstruction has focused on wound coverage andfunctional recovery. However, there are limitations in the use of a local flap in cases of extensivedefects of the lower-extremities. Therefore, free flap is a useful option in lower-extremityreconstruction.Methods We performed a retrospective review of 49 patients (52 cases who underwentlower-extremity reconstruction at our institution during a 10-year period. In these patients,we evaluated causes and sites of defects, types of flaps, recipient vessels, types of anastomosis,survival rate, and complications.Results There were 42 men and 10 women with a mean age of 32.7 years (range, 3-72years. The sites of defects included the dorsum of the foot (19, pretibial area (17, ankle(7, heel (5 and other sites (4. The types of free flap included latissimus dorsi muscle flap(10, scapular fascial flap (6, anterolateral thigh flap (6, and other flaps (30. There werefour cases of vascular complications, out of which two flaps survived after intervention. Theoverall survival of the flaps was 96.2% (50/52. There were 19 cases of other complications atrecipient sites such as partial graft loss (8, partial flap necrosis (6 and infection (5. However,these complications were not notable and were resolved with skin grafts.Conclusions The free flap is an effective method of lower-extremity reconstruction. Goodoutcomes can be achieved with complete debridement and the selection of appropriaterecipient vessels and flaps according to the recipient site.

Morphological Analysis of White Cement Clinker Minerals: Discussion on the Crystallization-Related Defects

Directory of Open Access Journals (Sweden)

Mohamed Benmohamed

2016-01-01

Full Text Available The paper deals with a formation of artificial rock (clinker. Temperature plays the capital role in the manufacturing process. So, it is useful to analyze a poor clinker to identify the different phases and defects associated with their crystallization. X-ray fluorescence spectroscopy was used to determine the clinker’s chemical composition. The amounts of the mineralogical phases are measured by quantitative XRD analysis (Rietveld. Scanning electron microscopy (SEM was used to characterize the main phases of white Portland cement clinker and the defects associated with the formation of clinker mineral elements. The results of a study which focused on the identification of white clinker minerals and defects detected in these noncomplying clinkers such as fluctuation of the amount of the main phases (alite (C3S and belite (C2S, excess of the free lime, occurrence of C3S polymorphs, and occurrence of moderately-crystallized structures are presented in this paper.

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

Structural evolution and optical properties of oxidized ZnS microrods

Energy Technology Data Exchange (ETDEWEB)

Trung, D.Q. [Advanced Institute for Science and Technology (AIST), Hanoi University of Science and Technology (HUST), Hanoi 10000 (Viet Nam); Quang Ninh University of Industry, Yen Tho-Dong Trieu District, Quang Ninh Province (Viet Nam); Thang, P.T.; Hung, N.D. [Advanced Institute for Science and Technology (AIST), Hanoi University of Science and Technology (HUST), Hanoi 10000 (Viet Nam); Huy, P.T., E-mail: huy.phamthanh@hust.edu.vn [Advanced Institute for Science and Technology (AIST), Hanoi University of Science and Technology (HUST), Hanoi 10000 (Viet Nam)

2016-08-15

In this study, we present a simple and versatile way to growth and modify photoemission of high quality ZnS microrods by thermal evaporation method in combination with post oxidation in oxygen environment. The as-grown ZnS microrods show strong near edge luminescence doublets at room temperature indicating the high crystalline quality. Using ultrahigh-resolution scanning electron microscope integrated with energy microanalysis and cathodoluminescence capacity we elucidate the effect of oxidation temperature on microstructure surface, chemical composition and emission spectra of ZnS microrods. Under appropriate oxidation condition, the initial high quality ZnS microrods can be converted into ZnS/ZnO microrod heterostructures or optically active porous ZnO microrods. More particularly, we demonstrate that the emission wavelength of an oxygen-related defect could be tuned in between optical band-gap of ZnS and ZnO upon increasing the oxidation temperature. This research introduces a simple approach to synthesize and tune optical property of high quality ZnS crystals. - Highlights: • High quality optically defect free ZnS microrods were synthesized in large scale. • The structural evolution and changes in optical emission upon oxidation were disclosed. • Luminescence of oxygen-related defect can be tuned using oxidation temperature. • The initial ZnS microrods can be converted into ZnS/ZnO heterostructure. • Porous ZnO microrods with negligible defect emissions were achieved.

Design of CPW-Fed Antenna with Defected Substrate for Wideband Applications

Directory of Open Access Journals (Sweden)

Amar Sharma

2016-01-01

Full Text Available A CPW-fed defected substrate microstrip antenna is proposed. The proposed antenna shows wideband applications by choosing suitable defected crown shaped substrate. Defected substrate also reduces the size of an antenna. The radiating patch of proposed antenna is taken in the form of extended U-shape. The space around the radiator is utilized by extending the ground plane on both sides of radiator. Simulation of proposed antenna is done on Ansoft’s High Frequency Structure Simulator (HFSS v. 14. Measured results are in good agreement with simulated results. The prototype is taken with dimensions 36 mm × 42 mm × 1.6 mm that achieves good return loss, constant group delay, and good radiation characteristics within the entire operating band from 4.5 to 13.5 GHz (9.0 GHz with 100% impedance bandwidth at 9.0 GHz centre frequency. Thus, the proposed antenna is applicable for C and X band applications.

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

Energy Technology Data Exchange (ETDEWEB)

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

2016-06-05

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

Type-assisted automatic garbage collection for lock-free data structures

OpenAIRE

Yang, Albert Mingkun; Wrigstad, Tobias

2017-01-01

We introduce Isolde, an automatic garbage collection scheme designed specifically for managing memory in lock-free data structures, such as stacks, lists, maps and queues. Isolde exists as a plug-in memory manager, designed to sit on-top of another memory manager, and use it's allocator and reclaimer (if exists). Isolde treats a lock-free data structure as a logical heap, isolated from the rest of the program. This allows garbage collection outside of Isolde to take place without affecting th...

Mechanism of polarization switching in wurtzite-structured zinc oxide thin films

Science.gov (United States)

Konishi, Ayako; Ogawa, Takafumi; Fisher, Craig A. J.; Kuwabara, Akihide; Shimizu, Takao; Yasui, Shintaro; Itoh, Mitsuru; Moriwake, Hiroki

2016-09-01

The properties of a potentially new class of ferroelectric materials based on wurtzite-structured ZnO thin films are examined using the first-principles calculations. Theoretical P-E hysteresis loops were calculated using the fixed-D method for both unstrained and (biaxially) strained single crystals. Ferroelectric polarization switching in ZnO (S.G. P63mc) is shown to occur via an intermediate non-polar structure with centrosymmetric P63/mmc symmetry by displacement of cations relative to anions in the long-axis direction. The calculated coercive electric field (Ec) for polarization switching was estimated to be 7.2 MV/cm for defect-free monocrystalline ZnO. During switching, the short- and long-axis lattice parameters expand and contract, respectively. The large structural distortion required for switching may explain why ferroelectricity in this compound has not been reported experimentally for pure ZnO. Applying an epitaxial tensile strain parallel to the basal plane is shown to be effective in lowering Ec during polarization, with a 5% biaxial expansion resulting in a decrease of Ec to 3.5 MV/cm. Comparison with calculated values for conventional ferroelectric materials suggests that the ferroelectric polarization switching of wurtzite-structured ZnO may be achievable by preparing high-quality ZnO thin films with suitable strain levels and low defect concentrations.

Lectures on cosmic topological defects

Energy Technology Data Exchange (ETDEWEB)

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

2001-11-15

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

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.

Free energy minimization to predict RNA secondary structures and computational RNA design.

Science.gov (United States)

Churkin, Alexander; Weinbrand, Lina; Barash, Danny

2015-01-01

Determining the RNA secondary structure from sequence data by computational predictions is a long-standing problem. Its solution has been approached in two distinctive ways. If a multiple sequence alignment of a collection of homologous sequences is available, the comparative method uses phylogeny to determine conserved base pairs that are more likely to form as a result of billions of years of evolution than by chance. In the case of single sequences, recursive algorithms that compute free energy structures by using empirically derived energy parameters have been developed. This latter approach of RNA folding prediction by energy minimization is widely used to predict RNA secondary structure from sequence. For a significant number of RNA molecules, the secondary structure of the RNA molecule is indicative of its function and its computational prediction by minimizing its free energy is important for its functional analysis. A general method for free energy minimization to predict RNA secondary structures is dynamic programming, although other optimization methods have been developed as well along with empirically derived energy parameters. In this chapter, we introduce and illustrate by examples the approach of free energy minimization to predict RNA secondary structures.

Selected topics in high temperature chemistry defect chemistry of solids

CERN Document Server

Johannesen, Ø

2013-01-01

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

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.

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.

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.

New fundamental defects in a-SiO2

International Nuclear Information System (INIS)

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

1999-01-01

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

Toolbox for super-structured and super-structure free multi-disciplinary building spatial design optimisation

NARCIS (Netherlands)

Boonstra, S.; van der Blom, K.; Hofmeyer, H.; Emmerich, M.T.M.; van Schijndel, A.W.M.; de Wilde, P.

2018-01-01

Multi-disciplinary optimisation of building spatial designs is characterised by large solution spaces. Here two approaches are introduced, one being super-structured and the other super-structure free. Both are different in nature and perform differently for large solution spaces and each requires

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

Positron lifetime calculation for defects and defect clusters in graphite

International Nuclear Information System (INIS)

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

2000-01-01

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

[Perceptions of classroom goal structures, personal achievement goal orientations, and learning strategies].

Science.gov (United States)

Miki, Kaori; Yamauchi, Hirotsugu

2005-08-01

We examined the relations among students' perceptions of classroom goal structures (mastery and performance goal structures), students' achievement goal orientations (mastery, performance, and work-avoidance goals), and learning strategies (deep processing, surface processing and self-handicapping strategies). Participants were 323 5th and 6th grade students in elementary schools. The results from structural equation modeling indicated that perceptions of classroom mastery goal structures were associated with students' mastery goal orientations, which were in turn related positively to the deep processing strategies and academic achievement. Perceptions of classroom performance goal stractures proved associated with work avoidance-goal orientations, which were positively related to the surface processing and self-handicapping strategies. Two types of goal structures had a positive relation with students' performance goal orientations, which had significant positive effects on academic achievement. The results of this study suggest that elementary school students' perceptions of mastery goal structures are related to adaptive patterns of learning more than perceptions of performance goal structures are. The role of perceptions of classroom goal structure in promoting students' goal orientations and learning strategies is discussed.

The Tobacco-Free Village Program: Helping Rural Areas Implement and Achieve Goals of Tobacco Control Policies in India.

Science.gov (United States)

Chatterjee, Nilesh; Patil, Deepak; Kadam, Rajashree; Fernandes, Genevie

2017-09-27

India has 274 million tobacco users and a tobacco use prevalence of 38% in rural areas. Tobacco consumption causes 1 million deaths and costs the health system nearly US$23 billion annually. Tobacco control policies exist but lack proper implementation. In this article, we review the Tobacco-free Village (TfV) program conducted in Maharashtra state in India and describe its process to help villages in rural India achieve "tobacco-free" status (i.e., the sale and use of tobacco are prohibited by law). We reviewed program documents and conducted 22 qualitative interviews with program staff and village-level stakeholders. From 2008 to 2014, Salaam Mumbai Foundation implemented the TfV program in 60 villages in Maharashtra state. The program used a number of strategies to help villages become tobacco free, including collaborating with a community-based organization, leveraging existing health workers, conducting a situation analysis, training health workers, engaging stakeholders, developing TfV assessment criteria, mobilizing the community, conducting health education, imposing sanctions, and offering incentives. By 2014, 4 villages had achieved tobacco-free status according to 11 assessment criteria. Successful villages demonstrated strong local leader involvement, ownership of the program, and commitment to the cause by residents. The TfV program faced barriers including poor motivation of health workers, difficulty in changing social norms of tobacco use, and refusal of local vendors to stop tobacco sales due to financial losses. This low-cost, community-driven program holds promise for helping public health practitioners and governments implement and achieve the goals of tobacco control policies, especially in resource-scarce settings. © Chatterjee et al.

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.)

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.

Defects induced luminescence and tuning of bandgap energy narrowing in ZnO nanoparticles doped with Li ions

KAUST Repository

Awan, Saif Ullah; Hasanain, S. K.; Hassnain Jaffari, G.; Anjum, Dalaver H.; Qurashi, Umar S.

2014-01-01

Microstructural and optical properties of Zn1-yLiyO (0.00 ≤y ≤0.10) nanoparticles are investigated. Li incorporation leads to substantial changes in the structural characterization. From micro-structural analysis, no secondary phases or clustering of Li was detected. Elemental maps confirmed homogeneous distribution of Li in ZnO. Sharp UV peak due to the recombination of free exciton and defects based luminescence broad visible band was observed. The transition from the conduction band to Zinc vacancy defect level in photoluminescence spectra is found at 518±2.5nm. The yellow luminescence was observed and attributed to Li related defects in doped samples. With increasing Li doping, a decrease in energy bandgap was observed in the range 3.26±0.014 to 3.17±0.018eV. The bandgap narrowing behavior is explained in terms of the band tailing effect due to structural disorder, carrier-impurities, carrier-carrier, and carrier-phonon interactions. Tuning of the bandgap energy in this class of wide bandgap semiconductor is very important for room temperature spintronics applications and optical devices. © 2014 AIP Publishing LLC.

Defects induced luminescence and tuning of bandgap energy narrowing in ZnO nanoparticles doped with Li ions

KAUST Repository

Awan, Saif Ullah

2014-08-28

Microstructural and optical properties of Zn1-yLiyO (0.00 ≤y ≤0.10) nanoparticles are investigated. Li incorporation leads to substantial changes in the structural characterization. From micro-structural analysis, no secondary phases or clustering of Li was detected. Elemental maps confirmed homogeneous distribution of Li in ZnO. Sharp UV peak due to the recombination of free exciton and defects based luminescence broad visible band was observed. The transition from the conduction band to Zinc vacancy defect level in photoluminescence spectra is found at 518±2.5nm. The yellow luminescence was observed and attributed to Li related defects in doped samples. With increasing Li doping, a decrease in energy bandgap was observed in the range 3.26±0.014 to 3.17±0.018eV. The bandgap narrowing behavior is explained in terms of the band tailing effect due to structural disorder, carrier-impurities, carrier-carrier, and carrier-phonon interactions. Tuning of the bandgap energy in this class of wide bandgap semiconductor is very important for room temperature spintronics applications and optical devices. © 2014 AIP Publishing LLC.

Extended defects in insulating MgAl2O4 ceramic materials studied by PALS methods

International Nuclear Information System (INIS)

Klym, H; Ingram, A; Shpotyuk, O; Filipecki, J; Hadzaman, I

2010-01-01

Extended positron-trapping defects in technological modified insulating nanoporous MgAl 2 O 4 ceramics are characterized by positron annihilation lifetime spectroscopy. The results are achieved using three-component fitting procedure with arbitrary lifetimes applied to treatment of measured spectra. Within this approach, the first component in the lifetime spectra reflects microstructure specificity of the spinel structure, the second component responsible to extended defects near intergranual boundaries and the third component correspond to ortho-positronium 'pick-off' decaying in nanopores of ceramics. It is shown that in ceramics of different technological modifications the same type of positron traps prevails.

Various Stone-Wales defects in phagraphene

Science.gov (United States)

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

2016-08-01

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

Conformal structure in the spectrum of an altered quantum Ising chain

International Nuclear Information System (INIS)

Henkel, M.; Patkos, A.

1986-07-01

The Ising model with an infinite line of defects is mapped onto a strip with two defect lines. The Hamiltonian spectrum is studied at the bulk critical point. Its exact diagonal form is found for an infinite number of sites. The spectrum of physical excitations contains an infinite number of primary fields, while the leading ground state energy correction is independent of the defect strength. A novel algebraic structure interpolating between those belonging to periodic and free boundary conditions is signalled. (orig.)

μSR spectroscopy on free radicals: a complement to ESR spectroscopy

International Nuclear Information System (INIS)

Cox, S.F.J.; Symons, M.C.R.

1986-12-01

The paper on ''μSR spectroscopy on free radicals'' was presented to the conference on ''Muon spin, rotation, relaxation and resonance'' Uppsala, 1986. The spectroscopic techniques for both ESR and μSR are described, along with the interpretation of the spectra, hyperfine coupling constants and radical structure. A comparison of ESR and μSR data is carried out with respect: to 1) isotope effects in organic radicals, 2) isotope effects in solids, -the isotropic muonium defect centres, and 3) the muonium defect centres in semiconductors. Radical categories examined using ESR and μSR are discussed, including new species, formation mechanisms, and ionic species. (U.K.)

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

Nanoscale interfacial defect shedding in a growing nematic droplet.

Science.gov (United States)

Gurevich, Sebastian; Provatas, Nikolas; Rey, Alejandro

2017-08-01

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

Stepladder Reconstructive Options in Post-Ablative Complex Surgical Defects in the Head and Neck

International Nuclear Information System (INIS)

EL MARAKBY, H.H.; NAGUIB, Sh.F.; EL-SAWY, A.F.; AMIN, A.A.

2008-01-01

Background: Reconstruction of head and neck defects can pose many challenges to the reconstructive head and neck surgeon. Achieving the best cosmetic and functional results without compromising the safety of oncologic surgery are the primary reconstructive goals. Speech and articulation are particularly important in oral reconstructive procedures. In addition, preservation of the integrity and function of the donor sites should always be considered in all reconstructive procedures. Aim of the Study: The aim of the study is to evaluate different reconstructive options in complex defects of the head and neck region after resection of malignant tumours. The feasibility of the reconstructive ladder starting from simple techniques such as local flaps and skin grafts up to free flaps will be assessed. Patients and Methods: In this study we evaluated different reconstructive procedures used in 50 patients with complex head and neck defects undertaken at the department of surgery at the National Cancer Institute between July 2003 and December 2007. Results: The average age of patients was 52 years and the range was 26-67 years. Most of the tumours were either squamous cell carcinoma (74%) or Basal cell carcinoma (20%). Tumour sites included the nose (6%), lip (10%), cheek (12%) scalp (6%) as well as mucosal defects of the oral cavity (40%) and the hypopharynx (20%). We used local flaps and skin grafts in reconstruction in 36% of cases and pedicled flaps in 32% while free flaps were used in 32% of cases. Complications occurred in 32% of patients of which total flaps loss constituted 6% and partial flap loss 4%. Minor complications such as oro-cutaneous fistulae, wound infection, seroma and haematoma were noticed in 22% and all of them were treated conservatively. The final functional and aesthetic results were satisfactory in 60% of cases while poor results were encountered in patients who suffered some degree of flap loss.

[Simultaneous repairing defects of orbital floor and palate with the modified temporalis muscle flap after the maxillectomy].

Science.gov (United States)

Zhong, Q; Huang, Z G; Fang, J G; Chen, X J; Chen, X H; Hou, L Z; Li, P D; Ma, H Z; He, S Z

2016-09-07

Objective: To evaluate the outcome of one-stage reconstruction of maxillary and orbital defects with modified temporalis muscle flap (TMF) following the removal of malignant neoplasms. Methods: In this retrospective study, 15 patients underwent the reconstruction of defects of orbital floor and palate after maxillectomy for malignant tumor were included from June 2008 to June 2014. The modified temporalis muscle flap was used to repair the defects after surgery, and functional outcomes were analyzed. Results: All the patients were followed up for 12-81 months. Three cases of them received preoperative radiotherapy and 12 cases underwent postoperative radiotherapy. All flaps were survived. Epithelization of the tissues in oral and nasal cavity was completed in 4-6 weeks. Good functional reconstruction on swallowing and speaking functional results were achieved with maxillary and orbital reconstruction and no secondary deformity of external nose was observed. The eye positions in all cases were normal. Diplopia, diminution and loss of vision were not found. Conclusion: The modified TMF can be used for simultaneous reconstruction for the defects of orbital floor and palate after maxillectomy in patients whom free tissue flap can not be applied to, showing better cosmetic and functional results.

Defects and Interfaces on PtPb Nanoplates Boost Fuel Cell Electrocatalysis.

Science.gov (United States)

Sun, Yingjun; Liang, Yanxia; Luo, Mingchuan; Lv, Fan; Qin, Yingnan; Wang, Lei; Xu, Chuan; Fu, Engang; Guo, Shaojun

2018-01-01

Nanostructured Pt is the most efficient single-metal catalyst for fuel cell technology. Great efforts have been devoted to optimizing the Pt-based alloy nanocrystals with desired structure, composition, and shape for boosting the electrocatalytic activity. However, these well-known controls still show the limited ability in maximizing the Pt utilization efficiency for achieving more efficient fuel cell catalysis. Herein, a new strategy for maximizing the fuel cell catalysis by controlling/tuning the defects and interfaces of PtPb nanoplates using ion irradiation technique is reported. The defects and interfaces on PtPb nanoplates, controlled by the fluence of incident C + ions, make them exhibit the volcano-like electrocatalytic activity for methanol oxidation reaction (MOR), ethanol oxidation reaction (EOR), and oxygen reduction reaction (ORR) as a function of ion irradiation fluence. The optimized PtPb nanoplates with the mixed structure of dislocations, subgrain boundaries, and small amorphous domains are the most active for MOR, EOR, and ORR. They can also maintain high catalytic stability in acid solution. This work highlights the impact and significance of inducing/controlling the defects and interfaces on Pt-based nanocrystals toward maximizing the catalytic performance by advanced ion irradiation strategy. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effects of osteochondral defect size on cartilage regeneration using a double-network hydrogel.

Science.gov (United States)

Higa, Kotaro; Kitamura, Nobuto; Goto, Keiko; Kurokawa, Takayuki; Gong, Jian Ping; Kanaya, Fuminori; Yasuda, Kazunori

2017-05-22

There has been increased interest in one-step cell-free procedures to avoid the problems related to cell manipulation and its inherent disadvantages. We have studied the chondrogenic induction ability of a PAMPS/PDMAAm double-network (DN) gel and found it to induce chondrogenesis in animal osteochondral defect models. The purpose of this study was to investigate whether the healing process and the degree of cartilage regeneration induced by the cell-free method using DN gel are influenced by the size of osteochondral defects. A total of 63 mature female Japanese white rabbits were used in this study, randomly divided into 3 groups of 21 rabbits each. A 2.5-mm diameter osteochondral defect was created in the femoral trochlea of the patellofemoral joint of bilateral knees in Group I, a 4.3-mm osteochondral defect in Group II, and a 5.8-mm osteochondral defect in Group III. In the right knee of each animal, a DN gel plug was implanted so that a vacant space of 2-mm depth was left above the plug. In the left knee, we did not conduct any treatment to obtain control data. Animals were sacrificed at 2, 4, and 12 weeks after surgery, and gross and histological evaluations were made. The present study demonstrated that all sizes of the DN gel implanted defects as well as the 2.5mm untreated defects showed cartilage regeneration at 4 and 12 weeks. The 4.3-mm and 5.8-mm untreated defects did not show cartilage regeneration during the 12-week period. The quantitative score reported by O'Driscoll et al. was significantly higher in the 4.3-mm and 5.8-mm DN gel-implanted defects than the untreated defects at 4 and 12 weeks (p regeneration in defects between 2.5 and 5.8 mm, offering a promising device to establish a cell-free cartilage regeneration therapy and applicable to various sizes of osteochondral defects.